USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1090 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 30 THR OG1 : rot 180:sc=-0.00286 USER MOD Set 1.2: A 63 ASN : amide:sc= -4.83! K(o=-4.8!,f=-2.9) USER MOD Single : A 8 GLN : amide:sc= -3.63! C(o=-3.6!,f=-3.9!) USER MOD Single : A 10 SER OG : rot 94:sc= 1.13 USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= -0.71 (180deg=-2.23!) USER MOD Single : A 14 ASN : amide:sc= -8.09! C(o=-8.1!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 65:sc= -0.413 USER MOD Single : A 25 CYS SG : rot 74:sc= 0.048 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0.0599 K(o=0.06,f=-0.85) USER MOD Single : A 41 GLN : amide:sc= -0.481 K(o=-0.48,f=-2.9) USER MOD Single : A 42 THR OG1 : rot 108:sc= 1.28 USER MOD Single : A 45 GLN : amide:sc= -8.16! C(o=-8.2!,f=-4.4!) USER MOD Single : A 46 ASN : amide:sc= -12.1! C(o=-12!,f=-12!) USER MOD Single : A 48 CYS SG : rot -50:sc= -4.65! USER MOD Single : A 53 SER OG : rot 87:sc= 0.795! USER MOD Single : A 60 THR OG1 : rot 100:sc= -0.185 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0497 K(o=-0.05,f=-0.94) USER MOD Single : A 72 SER OG : rot 170:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.785 K(o=0.78,f=-1.3) USER MOD Single : A 77 GLN : amide:sc= -1.58! C(o=-1.6!,f=-5.4!) USER MOD Single : A 79 GLN : amide:sc= -6.33! K(o=-6.3!,f=-0.25) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0959 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.00464 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= -0.0112 (180deg=-0.417) USER MOD Single : A 101 MET CE :methyl -110:sc= -0.781 (180deg=-4.13!) USER MOD Single : A 104 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.8!) USER MOD Single : A 107 CYS SG : rot -133:sc= -10! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -5.32! C(o=-5.3!,f=-3.3!) USER MOD Single : A 122 MET CE :methyl -157:sc= -0.154 (180deg=-0.859) USER MOD Single : A 124 CYS SG : rot -129:sc= 0.168 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 134 GLN : amide:sc= -0.0965 K(o=-0.096,f=-1.4!) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -17.111 -25.151 2.917 1.00 0.00 N ATOM 2 CA VAL A 4 -16.570 -24.192 1.912 1.00 0.00 C ATOM 3 C VAL A 4 -15.681 -24.945 0.919 1.00 0.00 C ATOM 4 O VAL A 4 -15.266 -26.061 1.169 1.00 0.00 O ATOM 5 CB VAL A 4 -15.738 -23.110 2.622 1.00 0.00 C ATOM 6 CG1 VAL A 4 -15.576 -21.900 1.692 1.00 0.00 C ATOM 7 CG2 VAL A 4 -16.466 -22.689 3.908 1.00 0.00 C ATOM 0 HA VAL A 4 -17.397 -23.721 1.381 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.751 -23.500 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.987 -21.132 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.068 -22.209 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.558 -21.499 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.885 -21.922 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.449 -22.292 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.580 -23.554 4.561 1.00 0.00 H new ATOM 17 N VAL A 5 -15.380 -24.340 -0.202 1.00 0.00 N ATOM 18 CA VAL A 5 -14.511 -25.025 -1.196 1.00 0.00 C ATOM 19 C VAL A 5 -13.093 -25.121 -0.604 1.00 0.00 C ATOM 20 O VAL A 5 -12.581 -24.144 -0.096 1.00 0.00 O ATOM 21 CB VAL A 5 -14.488 -24.213 -2.512 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.623 -22.958 -2.346 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.920 -25.073 -3.651 1.00 0.00 C ATOM 0 H VAL A 5 -15.698 -23.408 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.891 -26.023 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.509 -23.917 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.615 -22.395 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.033 -22.336 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.604 -23.249 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.908 -24.493 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.904 -25.381 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.544 -25.956 -3.786 1.00 0.00 H new ATOM 33 N PRO A 6 -12.448 -26.261 -0.678 1.00 0.00 N ATOM 34 CA PRO A 6 -11.062 -26.424 -0.155 1.00 0.00 C ATOM 35 C PRO A 6 -10.022 -25.855 -1.126 1.00 0.00 C ATOM 36 O PRO A 6 -8.831 -25.986 -0.921 1.00 0.00 O ATOM 37 CB PRO A 6 -10.908 -27.941 -0.039 1.00 0.00 C ATOM 38 CG PRO A 6 -11.781 -28.492 -1.118 1.00 0.00 C ATOM 39 CD PRO A 6 -12.959 -27.525 -1.242 1.00 0.00 C ATOM 0 HA PRO A 6 -10.906 -25.895 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.870 -28.246 -0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.219 -28.297 0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.237 -28.567 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.125 -29.496 -0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.267 -27.403 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.829 -27.884 -0.692 1.00 0.00 H new ATOM 47 N ASP A 7 -10.465 -25.244 -2.194 1.00 0.00 N ATOM 48 CA ASP A 7 -9.492 -24.686 -3.184 1.00 0.00 C ATOM 49 C ASP A 7 -8.910 -23.384 -2.643 1.00 0.00 C ATOM 50 O ASP A 7 -8.063 -22.767 -3.257 1.00 0.00 O ATOM 51 CB ASP A 7 -10.171 -24.452 -4.550 1.00 0.00 C ATOM 52 CG ASP A 7 -11.152 -23.268 -4.501 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.872 -22.303 -3.810 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.165 -23.347 -5.176 1.00 0.00 O ATOM 0 H ASP A 7 -11.449 -25.107 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.686 -25.405 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.410 -24.263 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.704 -25.354 -4.851 1.00 0.00 H new ATOM 59 N GLN A 8 -9.346 -22.965 -1.486 1.00 0.00 N ATOM 60 CA GLN A 8 -8.799 -21.711 -0.905 1.00 0.00 C ATOM 61 C GLN A 8 -7.463 -22.047 -0.255 1.00 0.00 C ATOM 62 O GLN A 8 -6.407 -21.664 -0.713 1.00 0.00 O ATOM 63 CB GLN A 8 -9.740 -21.204 0.188 1.00 0.00 C ATOM 64 CG GLN A 8 -11.139 -21.025 -0.383 1.00 0.00 C ATOM 65 CD GLN A 8 -12.069 -20.517 0.713 1.00 0.00 C ATOM 66 OE1 GLN A 8 -11.755 -20.604 1.883 1.00 0.00 O ATOM 67 NE2 GLN A 8 -13.215 -19.999 0.382 1.00 0.00 N ATOM 0 H GLN A 8 -10.054 -23.436 -0.922 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.689 -20.954 -1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.763 -21.910 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.375 -20.257 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.118 -20.320 -1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.507 -21.972 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.477 -19.927 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.852 -19.665 1.105 1.00 0.00 H new ATOM 76 N ARG A 9 -7.533 -22.781 0.815 1.00 0.00 N ATOM 77 CA ARG A 9 -6.306 -23.191 1.549 1.00 0.00 C ATOM 78 C ARG A 9 -5.320 -23.900 0.619 1.00 0.00 C ATOM 79 O ARG A 9 -4.122 -23.791 0.772 1.00 0.00 O ATOM 80 CB ARG A 9 -6.699 -24.132 2.692 1.00 0.00 C ATOM 81 CG ARG A 9 -5.478 -24.390 3.581 1.00 0.00 C ATOM 82 CD ARG A 9 -5.854 -25.355 4.710 1.00 0.00 C ATOM 83 NE ARG A 9 -6.955 -24.769 5.553 1.00 0.00 N ATOM 84 CZ ARG A 9 -6.797 -23.661 6.233 1.00 0.00 C ATOM 85 NH1 ARG A 9 -5.642 -23.064 6.271 1.00 0.00 N ATOM 86 NH2 ARG A 9 -7.801 -23.162 6.903 1.00 0.00 N ATOM 0 H ARG A 9 -8.405 -23.121 1.221 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.820 -22.299 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.504 -23.691 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.076 -25.073 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.666 -24.809 2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.115 -23.451 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.176 -26.308 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.981 -25.558 5.330 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.853 -25.251 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.847 -23.458 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.531 -22.201 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.705 -23.635 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.681 -22.299 7.434 1.00 0.00 H new ATOM 100 N SER A 10 -5.815 -24.674 -0.304 1.00 0.00 N ATOM 101 CA SER A 10 -4.915 -25.442 -1.202 1.00 0.00 C ATOM 102 C SER A 10 -4.020 -24.535 -2.061 1.00 0.00 C ATOM 103 O SER A 10 -2.839 -24.767 -2.171 1.00 0.00 O ATOM 104 CB SER A 10 -5.765 -26.315 -2.119 1.00 0.00 C ATOM 105 OG SER A 10 -6.433 -27.305 -1.344 1.00 0.00 O ATOM 0 H SER A 10 -6.812 -24.808 -0.475 1.00 0.00 H new ATOM 0 HA SER A 10 -4.259 -26.046 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.492 -25.702 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.137 -26.790 -2.872 1.00 0.00 H new ATOM 0 HG SER A 10 -7.327 -26.983 -1.102 1.00 0.00 H new ATOM 111 N LYS A 11 -4.549 -23.530 -2.706 1.00 0.00 N ATOM 112 CA LYS A 11 -3.663 -22.696 -3.570 1.00 0.00 C ATOM 113 C LYS A 11 -2.616 -21.970 -2.715 1.00 0.00 C ATOM 114 O LYS A 11 -1.465 -21.851 -3.091 1.00 0.00 O ATOM 115 CB LYS A 11 -4.509 -21.701 -4.385 1.00 0.00 C ATOM 116 CG LYS A 11 -4.920 -20.495 -3.527 1.00 0.00 C ATOM 117 CD LYS A 11 -5.998 -19.668 -4.257 1.00 0.00 C ATOM 118 CE LYS A 11 -5.336 -18.715 -5.256 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.387 -17.981 -6.014 1.00 0.00 N ATOM 0 H LYS A 11 -5.531 -23.255 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.132 -23.342 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.941 -21.359 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.399 -22.202 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.302 -20.837 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.050 -19.872 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.688 -20.332 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.585 -19.101 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.692 -18.010 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.701 -19.275 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.047 -17.025 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.601 -18.492 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.249 -17.913 -5.436 1.00 0.00 H new ATOM 133 N PHE A 12 -3.014 -21.486 -1.570 1.00 0.00 N ATOM 134 CA PHE A 12 -2.055 -20.768 -0.679 1.00 0.00 C ATOM 135 C PHE A 12 -0.937 -21.711 -0.174 1.00 0.00 C ATOM 136 O PHE A 12 0.213 -21.333 -0.117 1.00 0.00 O ATOM 137 CB PHE A 12 -2.832 -20.149 0.502 1.00 0.00 C ATOM 138 CG PHE A 12 -1.871 -19.699 1.588 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.231 -18.449 1.500 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.612 -20.540 2.680 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.339 -18.052 2.507 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.724 -20.138 3.683 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.086 -18.894 3.596 1.00 0.00 C ATOM 0 H PHE A 12 -3.966 -21.557 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.568 -19.976 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.421 -19.300 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.533 -20.879 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.426 -17.798 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.100 -21.501 2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.154 -17.093 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.530 -20.787 4.524 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.601 -18.585 4.369 1.00 0.00 H new ATOM 153 N GLU A 13 -1.251 -22.919 0.224 1.00 0.00 N ATOM 154 CA GLU A 13 -0.168 -23.819 0.745 1.00 0.00 C ATOM 155 C GLU A 13 0.746 -24.357 -0.373 1.00 0.00 C ATOM 156 O GLU A 13 1.856 -24.775 -0.100 1.00 0.00 O ATOM 157 CB GLU A 13 -0.777 -25.005 1.506 1.00 0.00 C ATOM 158 CG GLU A 13 -1.508 -25.931 0.545 1.00 0.00 C ATOM 159 CD GLU A 13 -2.309 -26.963 1.342 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.209 -26.951 2.554 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.007 -27.748 0.723 1.00 0.00 O ATOM 0 H GLU A 13 -2.190 -23.318 0.213 1.00 0.00 H new ATOM 0 HA GLU A 13 0.442 -23.212 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.008 -25.555 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.467 -24.641 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.174 -25.354 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.794 -26.434 -0.107 1.00 0.00 H new ATOM 168 N ASN A 14 0.303 -24.392 -1.615 1.00 0.00 N ATOM 169 CA ASN A 14 1.177 -24.965 -2.709 1.00 0.00 C ATOM 170 C ASN A 14 1.807 -23.889 -3.604 1.00 0.00 C ATOM 171 O ASN A 14 2.813 -24.139 -4.240 1.00 0.00 O ATOM 172 CB ASN A 14 0.341 -25.909 -3.578 1.00 0.00 C ATOM 173 CG ASN A 14 -0.968 -25.234 -3.958 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.992 -24.050 -4.222 1.00 0.00 O ATOM 175 ND2 ASN A 14 -2.065 -25.943 -3.999 1.00 0.00 N ATOM 0 H ASN A 14 -0.611 -24.055 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 14 1.994 -25.496 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.896 -26.179 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.140 -26.834 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.948 -25.501 -4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.038 -26.938 -3.776 1.00 0.00 H new ATOM 182 N GLU A 15 1.261 -22.709 -3.688 1.00 0.00 N ATOM 183 CA GLU A 15 1.900 -21.687 -4.575 1.00 0.00 C ATOM 184 C GLU A 15 3.096 -21.043 -3.861 1.00 0.00 C ATOM 185 O GLU A 15 2.966 -20.414 -2.828 1.00 0.00 O ATOM 186 CB GLU A 15 0.873 -20.624 -4.992 1.00 0.00 C ATOM 187 CG GLU A 15 -0.149 -21.240 -5.962 1.00 0.00 C ATOM 188 CD GLU A 15 0.526 -21.570 -7.300 1.00 0.00 C ATOM 189 OE1 GLU A 15 1.049 -22.666 -7.424 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.505 -20.721 -8.179 1.00 0.00 O ATOM 0 H GLU A 15 0.420 -22.408 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 15 2.263 -22.179 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.363 -20.233 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.378 -19.783 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.575 -22.145 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.973 -20.545 -6.123 1.00 0.00 H new ATOM 197 N GLU A 16 4.264 -21.205 -4.430 1.00 0.00 N ATOM 198 CA GLU A 16 5.502 -20.626 -3.832 1.00 0.00 C ATOM 199 C GLU A 16 5.576 -19.120 -4.126 1.00 0.00 C ATOM 200 O GLU A 16 6.434 -18.425 -3.631 1.00 0.00 O ATOM 201 CB GLU A 16 6.736 -21.330 -4.416 1.00 0.00 C ATOM 202 CG GLU A 16 6.719 -22.815 -4.030 1.00 0.00 C ATOM 203 CD GLU A 16 8.054 -23.463 -4.412 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.745 -22.906 -5.249 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.364 -24.503 -3.857 1.00 0.00 O ATOM 0 H GLU A 16 4.412 -21.722 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 16 5.478 -20.775 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.745 -21.227 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.645 -20.858 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.546 -22.920 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.899 -23.323 -4.537 1.00 0.00 H new ATOM 212 N PHE A 17 4.689 -18.620 -4.936 1.00 0.00 N ATOM 213 CA PHE A 17 4.702 -17.168 -5.295 1.00 0.00 C ATOM 214 C PHE A 17 4.748 -16.278 -4.039 1.00 0.00 C ATOM 215 O PHE A 17 5.127 -15.124 -4.119 1.00 0.00 O ATOM 216 CB PHE A 17 3.435 -16.882 -6.144 1.00 0.00 C ATOM 217 CG PHE A 17 2.887 -15.478 -5.912 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.676 -14.350 -6.166 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.577 -15.320 -5.430 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.153 -13.066 -5.942 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.059 -14.042 -5.209 1.00 0.00 C ATOM 222 CZ PHE A 17 1.845 -12.915 -5.462 1.00 0.00 C ATOM 0 H PHE A 17 3.942 -19.160 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 17 5.599 -16.933 -5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.673 -17.007 -7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.665 -17.615 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.685 -14.467 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.969 -16.190 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.759 -12.194 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.050 -13.925 -4.842 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.445 -11.927 -5.288 1.00 0.00 H new ATOM 232 N PHE A 18 4.358 -16.762 -2.892 1.00 0.00 N ATOM 233 CA PHE A 18 4.380 -15.862 -1.702 1.00 0.00 C ATOM 234 C PHE A 18 5.815 -15.607 -1.235 1.00 0.00 C ATOM 235 O PHE A 18 6.273 -14.486 -1.237 1.00 0.00 O ATOM 236 CB PHE A 18 3.580 -16.506 -0.564 1.00 0.00 C ATOM 237 CG PHE A 18 2.292 -17.021 -1.140 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.357 -16.111 -1.626 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.049 -18.398 -1.223 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.166 -16.567 -2.192 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.859 -18.856 -1.796 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.083 -17.940 -2.284 1.00 0.00 C ATOM 0 H PHE A 18 4.033 -17.715 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 18 3.933 -14.908 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.148 -17.319 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.382 -15.778 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.554 -15.051 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.777 -19.102 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.563 -15.860 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.665 -19.916 -1.863 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.000 -18.294 -2.731 1.00 0.00 H new ATOM 252 N ARG A 19 6.540 -16.604 -0.848 1.00 0.00 N ATOM 253 CA ARG A 19 7.939 -16.337 -0.404 1.00 0.00 C ATOM 254 C ARG A 19 8.759 -15.710 -1.549 1.00 0.00 C ATOM 255 O ARG A 19 9.677 -14.952 -1.307 1.00 0.00 O ATOM 256 CB ARG A 19 8.592 -17.641 0.090 1.00 0.00 C ATOM 257 CG ARG A 19 8.022 -18.837 -0.696 1.00 0.00 C ATOM 258 CD ARG A 19 6.776 -19.387 0.026 1.00 0.00 C ATOM 259 NE ARG A 19 7.180 -20.382 1.077 1.00 0.00 N ATOM 260 CZ ARG A 19 7.851 -21.472 0.795 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.057 -21.835 -0.439 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.280 -22.229 1.768 1.00 0.00 N ATOM 0 H ARG A 19 6.241 -17.579 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 19 7.918 -15.626 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.673 -17.590 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.405 -17.772 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.761 -18.528 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.777 -19.618 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.222 -18.568 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.109 -19.860 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 19 6.922 -20.202 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.694 -21.268 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.582 -22.687 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.092 -21.970 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.803 -23.080 1.560 1.00 0.00 H new ATOM 276 N LYS A 20 8.465 -16.025 -2.789 1.00 0.00 N ATOM 277 CA LYS A 20 9.278 -15.436 -3.905 1.00 0.00 C ATOM 278 C LYS A 20 9.169 -13.903 -3.915 1.00 0.00 C ATOM 279 O LYS A 20 10.137 -13.220 -4.191 1.00 0.00 O ATOM 280 CB LYS A 20 8.813 -15.990 -5.260 1.00 0.00 C ATOM 281 CG LYS A 20 8.974 -17.522 -5.312 1.00 0.00 C ATOM 282 CD LYS A 20 10.456 -17.925 -5.363 1.00 0.00 C ATOM 283 CE LYS A 20 10.559 -19.424 -5.663 1.00 0.00 C ATOM 284 NZ LYS A 20 11.985 -19.850 -5.598 1.00 0.00 N ATOM 0 H LYS A 20 7.713 -16.652 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 20 10.319 -15.714 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.769 -15.724 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.391 -15.532 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.503 -17.969 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.458 -17.915 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.975 -17.352 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.940 -17.698 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.967 -19.990 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.150 -19.636 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.053 -20.868 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.538 -19.319 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.361 -19.662 -4.647 1.00 0.00 H new ATOM 298 N LEU A 21 8.007 -13.359 -3.630 1.00 0.00 N ATOM 299 CA LEU A 21 7.837 -11.861 -3.635 1.00 0.00 C ATOM 300 C LEU A 21 7.192 -11.363 -2.329 1.00 0.00 C ATOM 301 O LEU A 21 7.416 -10.241 -1.918 1.00 0.00 O ATOM 302 CB LEU A 21 6.935 -11.460 -4.811 1.00 0.00 C ATOM 303 CG LEU A 21 7.620 -11.760 -6.157 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.660 -11.388 -7.295 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.927 -10.948 -6.292 1.00 0.00 C ATOM 0 H LEU A 21 7.166 -13.885 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 21 8.824 -11.409 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.990 -12.001 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.699 -10.398 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 21 7.867 -12.820 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.134 -11.596 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.746 -11.976 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.416 -10.327 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.398 -11.173 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.701 -9.883 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.606 -11.215 -5.482 1.00 0.00 H new ATOM 317 N SER A 22 6.382 -12.158 -1.677 1.00 0.00 N ATOM 318 CA SER A 22 5.728 -11.676 -0.419 1.00 0.00 C ATOM 319 C SER A 22 6.728 -11.719 0.739 1.00 0.00 C ATOM 320 O SER A 22 6.581 -12.461 1.693 1.00 0.00 O ATOM 321 CB SER A 22 4.498 -12.538 -0.126 1.00 0.00 C ATOM 322 OG SER A 22 4.874 -13.675 0.639 1.00 0.00 O ATOM 0 H SER A 22 6.146 -13.110 -1.956 1.00 0.00 H new ATOM 0 HA SER A 22 5.404 -10.642 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.755 -11.954 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.034 -12.855 -1.060 1.00 0.00 H new ATOM 0 HG SER A 22 5.200 -13.386 1.517 1.00 0.00 H new ATOM 328 N ARG A 23 7.748 -10.914 0.638 1.00 0.00 N ATOM 329 CA ARG A 23 8.815 -10.849 1.683 1.00 0.00 C ATOM 330 C ARG A 23 9.301 -9.396 1.829 1.00 0.00 C ATOM 331 O ARG A 23 8.820 -8.505 1.151 1.00 0.00 O ATOM 332 CB ARG A 23 9.980 -11.742 1.243 1.00 0.00 C ATOM 333 CG ARG A 23 10.697 -11.117 0.035 1.00 0.00 C ATOM 334 CD ARG A 23 11.644 -12.156 -0.573 1.00 0.00 C ATOM 335 NE ARG A 23 12.514 -11.518 -1.604 1.00 0.00 N ATOM 336 CZ ARG A 23 13.558 -12.157 -2.058 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.848 -13.349 -1.601 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.318 -11.607 -2.962 1.00 0.00 N ATOM 0 H ARG A 23 7.893 -10.279 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 23 8.425 -11.191 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.682 -11.869 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.610 -12.734 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.969 -10.790 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.255 -10.233 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.260 -12.600 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.068 -12.965 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 23 12.294 -10.585 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.258 -13.780 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.664 -13.847 -1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.098 -10.676 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.133 -12.107 -3.316 1.00 0.00 H new ATOM 352 N GLU A 24 10.246 -9.148 2.711 1.00 0.00 N ATOM 353 CA GLU A 24 10.772 -7.755 2.884 1.00 0.00 C ATOM 354 C GLU A 24 11.430 -7.309 1.570 1.00 0.00 C ATOM 355 O GLU A 24 12.373 -7.914 1.104 1.00 0.00 O ATOM 356 CB GLU A 24 11.798 -7.727 4.029 1.00 0.00 C ATOM 357 CG GLU A 24 13.008 -8.601 3.678 1.00 0.00 C ATOM 358 CD GLU A 24 13.814 -8.901 4.945 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.420 -8.425 6.000 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.808 -9.600 4.839 1.00 0.00 O ATOM 0 H GLU A 24 10.673 -9.849 3.316 1.00 0.00 H new ATOM 0 HA GLU A 24 9.957 -7.075 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.121 -6.702 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.336 -8.085 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.675 -9.532 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.637 -8.092 2.948 1.00 0.00 H new ATOM 367 N CYS A 25 10.924 -6.271 0.955 1.00 0.00 N ATOM 368 CA CYS A 25 11.507 -5.792 -0.339 1.00 0.00 C ATOM 369 C CYS A 25 11.685 -4.268 -0.312 1.00 0.00 C ATOM 370 O CYS A 25 11.002 -3.570 0.410 1.00 0.00 O ATOM 371 CB CYS A 25 10.552 -6.183 -1.467 1.00 0.00 C ATOM 372 SG CYS A 25 10.630 -7.971 -1.745 1.00 0.00 S ATOM 0 H CYS A 25 10.128 -5.731 1.294 1.00 0.00 H new ATOM 0 HA CYS A 25 12.485 -6.247 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.534 -5.890 -1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.817 -5.652 -2.381 1.00 0.00 H new ATOM 0 HG CYS A 25 10.009 -8.587 -0.783 1.00 0.00 H new ATOM 378 N GLU A 26 12.576 -3.748 -1.121 1.00 0.00 N ATOM 379 CA GLU A 26 12.776 -2.267 -1.174 1.00 0.00 C ATOM 380 C GLU A 26 11.594 -1.654 -1.944 1.00 0.00 C ATOM 381 O GLU A 26 11.128 -2.222 -2.914 1.00 0.00 O ATOM 382 CB GLU A 26 14.084 -1.953 -1.914 1.00 0.00 C ATOM 383 CG GLU A 26 15.270 -2.597 -1.185 1.00 0.00 C ATOM 384 CD GLU A 26 15.371 -2.039 0.234 1.00 0.00 C ATOM 385 OE1 GLU A 26 14.676 -2.549 1.101 1.00 0.00 O ATOM 386 OE2 GLU A 26 16.133 -1.112 0.428 1.00 0.00 O ATOM 0 H GLU A 26 13.174 -4.287 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 26 12.829 -1.855 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.030 -2.325 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.227 -0.874 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.144 -3.679 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.194 -2.400 -1.729 1.00 0.00 H new ATOM 393 N ILE A 27 11.087 -0.507 -1.528 1.00 0.00 N ATOM 394 CA ILE A 27 9.922 0.103 -2.261 1.00 0.00 C ATOM 395 C ILE A 27 10.091 1.611 -2.416 1.00 0.00 C ATOM 396 O ILE A 27 10.767 2.275 -1.638 1.00 0.00 O ATOM 397 CB ILE A 27 8.620 -0.175 -1.497 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.561 0.633 -0.186 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.540 -1.653 -1.164 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.254 0.346 0.566 1.00 0.00 C ATOM 0 H ILE A 27 11.424 0.024 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 27 9.881 -0.349 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 27 7.783 0.122 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.413 0.377 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.635 1.698 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.616 -1.854 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.553 -2.235 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.393 -1.933 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.230 0.925 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.406 0.625 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.196 -0.716 0.803 1.00 0.00 H new ATOM 412 N LYS A 28 9.431 2.161 -3.407 1.00 0.00 N ATOM 413 CA LYS A 28 9.485 3.632 -3.637 1.00 0.00 C ATOM 414 C LYS A 28 8.148 4.112 -4.224 1.00 0.00 C ATOM 415 O LYS A 28 7.545 3.450 -5.052 1.00 0.00 O ATOM 416 CB LYS A 28 10.609 3.964 -4.618 1.00 0.00 C ATOM 417 CG LYS A 28 10.386 3.224 -5.938 1.00 0.00 C ATOM 418 CD LYS A 28 11.640 3.378 -6.802 1.00 0.00 C ATOM 419 CE LYS A 28 11.418 2.732 -8.169 1.00 0.00 C ATOM 420 NZ LYS A 28 12.541 3.103 -9.075 1.00 0.00 N ATOM 0 H LYS A 28 8.853 1.645 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 28 9.672 4.132 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.643 5.039 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.571 3.681 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.183 2.170 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.517 3.629 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.879 4.434 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.492 2.914 -6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.360 1.648 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.469 3.064 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.394 2.665 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.576 4.137 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.438 2.766 -8.672 1.00 0.00 H new ATOM 434 N TYR A 29 7.700 5.270 -3.800 1.00 0.00 N ATOM 435 CA TYR A 29 6.407 5.838 -4.306 1.00 0.00 C ATOM 436 C TYR A 29 6.515 6.173 -5.798 1.00 0.00 C ATOM 437 O TYR A 29 7.531 6.645 -6.266 1.00 0.00 O ATOM 438 CB TYR A 29 6.079 7.119 -3.523 1.00 0.00 C ATOM 439 CG TYR A 29 4.828 7.764 -4.082 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.569 7.388 -3.598 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.926 8.739 -5.085 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.411 7.981 -4.117 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.766 9.335 -5.602 1.00 0.00 C ATOM 444 CZ TYR A 29 2.508 8.955 -5.121 1.00 0.00 C ATOM 445 OH TYR A 29 1.365 9.535 -5.638 1.00 0.00 O ATOM 0 H TYR A 29 8.181 5.854 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 29 5.618 5.099 -4.167 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.936 6.883 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.915 7.816 -3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.491 6.640 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.896 9.031 -5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.441 7.687 -3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.844 10.088 -6.372 1.00 0.00 H new ATOM 0 HH TYR A 29 1.612 10.190 -6.324 1.00 0.00 H new ATOM 455 N THR A 30 5.468 5.940 -6.550 1.00 0.00 N ATOM 456 CA THR A 30 5.511 6.256 -8.006 1.00 0.00 C ATOM 457 C THR A 30 5.106 7.716 -8.207 1.00 0.00 C ATOM 458 O THR A 30 4.014 8.113 -7.858 1.00 0.00 O ATOM 459 CB THR A 30 4.532 5.356 -8.758 1.00 0.00 C ATOM 460 OG1 THR A 30 4.743 4.006 -8.375 1.00 0.00 O ATOM 461 CG2 THR A 30 4.735 5.505 -10.272 1.00 0.00 C ATOM 0 H THR A 30 4.588 5.545 -6.217 1.00 0.00 H new ATOM 0 HA THR A 30 6.519 6.090 -8.387 1.00 0.00 H new ATOM 0 HB THR A 30 3.512 5.649 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.114 3.428 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.032 4.859 -10.799 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.563 6.542 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.754 5.220 -10.532 1.00 0.00 H new ATOM 469 N GLY A 31 5.968 8.514 -8.770 1.00 0.00 N ATOM 470 CA GLY A 31 5.621 9.945 -8.992 1.00 0.00 C ATOM 471 C GLY A 31 6.740 10.613 -9.787 1.00 0.00 C ATOM 472 O GLY A 31 7.648 9.965 -10.263 1.00 0.00 O ATOM 0 H GLY A 31 6.898 8.238 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.677 10.024 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.485 10.451 -8.036 1.00 0.00 H new ATOM 476 N PHE A 32 6.676 11.904 -9.949 1.00 0.00 N ATOM 477 CA PHE A 32 7.726 12.612 -10.731 1.00 0.00 C ATOM 478 C PHE A 32 9.032 12.707 -9.920 1.00 0.00 C ATOM 479 O PHE A 32 9.449 13.775 -9.516 1.00 0.00 O ATOM 480 CB PHE A 32 7.232 14.023 -11.054 1.00 0.00 C ATOM 481 CG PHE A 32 5.988 13.955 -11.923 1.00 0.00 C ATOM 482 CD1 PHE A 32 6.080 13.442 -13.222 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.748 14.407 -11.438 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.944 13.377 -14.034 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.607 14.341 -12.256 1.00 0.00 C ATOM 486 CZ PHE A 32 3.708 13.825 -13.553 1.00 0.00 C ATOM 0 H PHE A 32 5.940 12.501 -9.573 1.00 0.00 H new ATOM 0 HA PHE A 32 7.923 12.057 -11.648 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.011 14.559 -10.131 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.014 14.582 -11.568 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.031 13.095 -13.598 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.672 14.805 -10.437 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.020 12.980 -15.035 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.654 14.688 -11.884 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.832 13.772 -14.183 1.00 0.00 H new ATOM 496 N ARG A 33 9.683 11.594 -9.698 1.00 0.00 N ATOM 497 CA ARG A 33 10.970 11.590 -8.927 1.00 0.00 C ATOM 498 C ARG A 33 12.018 12.490 -9.604 1.00 0.00 C ATOM 499 O ARG A 33 12.956 12.933 -8.971 1.00 0.00 O ATOM 500 CB ARG A 33 11.502 10.148 -8.825 1.00 0.00 C ATOM 501 CG ARG A 33 10.493 9.290 -8.042 1.00 0.00 C ATOM 502 CD ARG A 33 10.912 7.814 -8.001 1.00 0.00 C ATOM 503 NE ARG A 33 12.155 7.660 -7.167 1.00 0.00 N ATOM 504 CZ ARG A 33 13.339 7.865 -7.649 1.00 0.00 C ATOM 505 NH1 ARG A 33 13.499 8.108 -8.925 1.00 0.00 N ATOM 506 NH2 ARG A 33 14.380 7.798 -6.863 1.00 0.00 N ATOM 0 H ARG A 33 9.377 10.676 -10.020 1.00 0.00 H new ATOM 0 HA ARG A 33 10.780 11.982 -7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.655 9.733 -9.821 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.470 10.140 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.404 9.671 -7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.509 9.376 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.106 7.209 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.094 7.450 -9.012 1.00 0.00 H new ATOM 0 HE ARG A 33 12.062 7.385 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.689 8.137 -9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.434 8.269 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.259 7.585 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.314 7.959 -7.239 1.00 0.00 H new ATOM 520 N ASP A 34 11.889 12.754 -10.878 1.00 0.00 N ATOM 521 CA ASP A 34 12.910 13.605 -11.560 1.00 0.00 C ATOM 522 C ASP A 34 12.704 15.075 -11.181 1.00 0.00 C ATOM 523 O ASP A 34 13.489 15.926 -11.539 1.00 0.00 O ATOM 524 CB ASP A 34 12.779 13.437 -13.078 1.00 0.00 C ATOM 525 CG ASP A 34 13.042 11.978 -13.452 1.00 0.00 C ATOM 526 OD1 ASP A 34 13.455 11.229 -12.581 1.00 0.00 O ATOM 527 OD2 ASP A 34 12.830 11.634 -14.603 1.00 0.00 O ATOM 0 H ASP A 34 11.129 12.421 -11.471 1.00 0.00 H new ATOM 0 HA ASP A 34 13.906 13.296 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.782 13.733 -13.403 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.487 14.088 -13.590 1.00 0.00 H new ATOM 532 N ARG A 35 11.675 15.387 -10.435 1.00 0.00 N ATOM 533 CA ARG A 35 11.469 16.806 -10.018 1.00 0.00 C ATOM 534 C ARG A 35 12.327 17.080 -8.775 1.00 0.00 C ATOM 535 O ARG A 35 12.558 16.188 -7.983 1.00 0.00 O ATOM 536 CB ARG A 35 9.972 17.061 -9.712 1.00 0.00 C ATOM 537 CG ARG A 35 9.322 17.853 -10.864 1.00 0.00 C ATOM 538 CD ARG A 35 9.356 17.030 -12.173 1.00 0.00 C ATOM 539 NE ARG A 35 9.885 17.875 -13.289 1.00 0.00 N ATOM 540 CZ ARG A 35 9.403 19.069 -13.521 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.402 19.523 -12.820 1.00 0.00 N ATOM 542 NH2 ARG A 35 9.904 19.800 -14.476 1.00 0.00 N ATOM 0 H ARG A 35 10.974 14.726 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 35 11.767 17.477 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.454 16.112 -9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.873 17.615 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.291 18.098 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.848 18.797 -11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.984 16.148 -12.043 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.355 16.675 -12.416 1.00 0.00 H new ATOM 0 HE ARG A 35 10.634 17.514 -13.879 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.990 18.947 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.031 20.455 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.672 19.441 -15.043 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.528 20.731 -14.657 1.00 0.00 H new ATOM 556 N PRO A 36 12.805 18.292 -8.599 1.00 0.00 N ATOM 557 CA PRO A 36 13.643 18.643 -7.425 1.00 0.00 C ATOM 558 C PRO A 36 13.142 18.002 -6.132 1.00 0.00 C ATOM 559 O PRO A 36 12.077 17.416 -6.073 1.00 0.00 O ATOM 560 CB PRO A 36 13.534 20.168 -7.349 1.00 0.00 C ATOM 561 CG PRO A 36 13.341 20.610 -8.763 1.00 0.00 C ATOM 562 CD PRO A 36 12.615 19.460 -9.488 1.00 0.00 C ATOM 0 HA PRO A 36 14.665 18.282 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.697 20.474 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.433 20.607 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.753 21.527 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.299 20.823 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.558 19.684 -9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.039 19.281 -10.476 1.00 0.00 H new ATOM 570 N HIS A 37 13.902 18.126 -5.093 1.00 0.00 N ATOM 571 CA HIS A 37 13.500 17.542 -3.798 1.00 0.00 C ATOM 572 C HIS A 37 12.108 18.054 -3.414 1.00 0.00 C ATOM 573 O HIS A 37 11.515 17.586 -2.470 1.00 0.00 O ATOM 574 CB HIS A 37 14.512 17.967 -2.737 1.00 0.00 C ATOM 575 CG HIS A 37 15.863 17.417 -3.088 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.775 18.117 -3.865 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.480 16.241 -2.756 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.888 17.363 -3.963 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.757 16.208 -3.307 1.00 0.00 N ATOM 0 H HIS A 37 14.798 18.614 -5.086 1.00 0.00 H new ATOM 0 HA HIS A 37 13.471 16.455 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.555 19.054 -2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.203 17.603 -1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.041 15.457 -2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.775 17.657 -4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.446 15.460 -3.227 1.00 0.00 H new ATOM 587 N GLU A 38 11.574 18.998 -4.139 1.00 0.00 N ATOM 588 CA GLU A 38 10.212 19.505 -3.798 1.00 0.00 C ATOM 589 C GLU A 38 9.193 18.369 -3.913 1.00 0.00 C ATOM 590 O GLU A 38 8.091 18.451 -3.404 1.00 0.00 O ATOM 591 CB GLU A 38 9.830 20.644 -4.750 1.00 0.00 C ATOM 592 CG GLU A 38 9.599 20.072 -6.151 1.00 0.00 C ATOM 593 CD GLU A 38 9.577 21.196 -7.188 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.815 22.330 -6.809 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.316 20.898 -8.342 1.00 0.00 O ATOM 0 H GLU A 38 12.016 19.438 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 38 10.215 19.880 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.929 21.144 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.621 21.393 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.387 19.359 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.656 19.526 -6.177 1.00 0.00 H new ATOM 602 N GLU A 39 9.544 17.325 -4.608 1.00 0.00 N ATOM 603 CA GLU A 39 8.588 16.201 -4.793 1.00 0.00 C ATOM 604 C GLU A 39 8.371 15.473 -3.468 1.00 0.00 C ATOM 605 O GLU A 39 7.334 14.895 -3.238 1.00 0.00 O ATOM 606 CB GLU A 39 9.154 15.225 -5.838 1.00 0.00 C ATOM 607 CG GLU A 39 10.275 14.364 -5.226 1.00 0.00 C ATOM 608 CD GLU A 39 9.697 13.155 -4.475 1.00 0.00 C ATOM 609 OE1 GLU A 39 8.542 12.834 -4.687 1.00 0.00 O ATOM 610 OE2 GLU A 39 10.431 12.570 -3.695 1.00 0.00 O ATOM 0 H GLU A 39 10.452 17.202 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 39 7.631 16.593 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.357 14.582 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.541 15.782 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.945 14.020 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.871 14.969 -4.543 1.00 0.00 H new ATOM 617 N ARG A 40 9.334 15.486 -2.596 1.00 0.00 N ATOM 618 CA ARG A 40 9.146 14.771 -1.309 1.00 0.00 C ATOM 619 C ARG A 40 7.962 15.373 -0.552 1.00 0.00 C ATOM 620 O ARG A 40 7.062 14.673 -0.131 1.00 0.00 O ATOM 621 CB ARG A 40 10.426 14.902 -0.462 1.00 0.00 C ATOM 622 CG ARG A 40 10.553 16.320 0.124 1.00 0.00 C ATOM 623 CD ARG A 40 11.982 16.541 0.613 1.00 0.00 C ATOM 624 NE ARG A 40 12.063 17.822 1.392 1.00 0.00 N ATOM 625 CZ ARG A 40 11.763 18.979 0.860 1.00 0.00 C ATOM 626 NH1 ARG A 40 11.493 19.084 -0.413 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.776 20.048 1.608 1.00 0.00 N ATOM 0 H ARG A 40 10.232 15.954 -2.715 1.00 0.00 H new ATOM 0 HA ARG A 40 8.945 13.718 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.409 14.170 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.298 14.678 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.297 17.062 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.851 16.449 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.295 15.705 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.665 16.578 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 40 12.361 17.789 2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.514 18.256 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.261 19.994 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.018 19.976 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.544 20.956 1.205 1.00 0.00 H new ATOM 641 N GLN A 41 7.948 16.669 -0.384 1.00 0.00 N ATOM 642 CA GLN A 41 6.829 17.312 0.344 1.00 0.00 C ATOM 643 C GLN A 41 5.616 17.401 -0.557 1.00 0.00 C ATOM 644 O GLN A 41 4.517 17.101 -0.163 1.00 0.00 O ATOM 645 CB GLN A 41 7.264 18.712 0.795 1.00 0.00 C ATOM 646 CG GLN A 41 7.558 19.591 -0.421 1.00 0.00 C ATOM 647 CD GLN A 41 8.331 20.833 0.039 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.204 20.737 0.881 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.053 21.998 -0.477 1.00 0.00 N ATOM 0 H GLN A 41 8.668 17.307 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 41 6.567 16.718 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.480 19.167 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.151 18.640 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.140 19.035 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.628 19.885 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.322 22.082 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.567 22.826 -0.175 1.00 0.00 H new ATOM 658 N THR A 42 5.809 17.809 -1.771 1.00 0.00 N ATOM 659 CA THR A 42 4.659 17.948 -2.698 1.00 0.00 C ATOM 660 C THR A 42 3.975 16.597 -2.883 1.00 0.00 C ATOM 661 O THR A 42 2.767 16.510 -2.935 1.00 0.00 O ATOM 662 CB THR A 42 5.159 18.488 -4.033 1.00 0.00 C ATOM 663 OG1 THR A 42 5.945 19.643 -3.793 1.00 0.00 O ATOM 664 CG2 THR A 42 3.982 18.861 -4.936 1.00 0.00 C ATOM 0 H THR A 42 6.717 18.054 -2.166 1.00 0.00 H new ATOM 0 HA THR A 42 3.930 18.644 -2.283 1.00 0.00 H new ATOM 0 HB THR A 42 5.751 17.719 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.889 19.436 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.358 19.245 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.370 17.978 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.378 19.627 -4.449 1.00 0.00 H new ATOM 672 N ARG A 43 4.718 15.542 -2.985 1.00 0.00 N ATOM 673 CA ARG A 43 4.061 14.222 -3.147 1.00 0.00 C ATOM 674 C ARG A 43 3.155 13.943 -1.948 1.00 0.00 C ATOM 675 O ARG A 43 2.033 13.502 -2.102 1.00 0.00 O ATOM 676 CB ARG A 43 5.127 13.125 -3.236 1.00 0.00 C ATOM 677 CG ARG A 43 4.462 11.737 -3.457 1.00 0.00 C ATOM 678 CD ARG A 43 4.337 10.963 -2.125 1.00 0.00 C ATOM 679 NE ARG A 43 3.096 10.137 -2.135 1.00 0.00 N ATOM 680 CZ ARG A 43 2.957 9.155 -1.281 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.891 8.925 -0.400 1.00 0.00 N ATOM 682 NH2 ARG A 43 1.876 8.421 -1.294 1.00 0.00 N ATOM 0 H ARG A 43 5.738 15.531 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 43 3.465 14.231 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.812 13.341 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.719 13.110 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.474 11.869 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.052 11.156 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.209 10.324 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.313 11.662 -1.289 1.00 0.00 H new ATOM 0 HE ARG A 43 2.355 10.337 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.727 9.510 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.786 8.161 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.138 8.613 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.771 7.656 -0.627 1.00 0.00 H new ATOM 696 N PHE A 44 3.631 14.163 -0.747 1.00 0.00 N ATOM 697 CA PHE A 44 2.776 13.857 0.428 1.00 0.00 C ATOM 698 C PHE A 44 1.471 14.664 0.422 1.00 0.00 C ATOM 699 O PHE A 44 0.421 14.102 0.629 1.00 0.00 O ATOM 700 CB PHE A 44 3.552 14.101 1.730 1.00 0.00 C ATOM 701 CG PHE A 44 4.686 13.094 1.850 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.431 11.709 1.806 1.00 0.00 C ATOM 703 CD2 PHE A 44 6.009 13.541 1.987 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.487 10.795 1.901 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.060 12.623 2.081 1.00 0.00 C ATOM 706 CZ PHE A 44 6.801 11.251 2.036 1.00 0.00 C ATOM 0 H PHE A 44 4.558 14.534 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 44 2.503 12.804 0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.951 15.115 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.882 14.012 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.418 11.351 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.217 14.600 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.286 9.734 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.075 12.976 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.615 10.544 2.105 1.00 0.00 H new ATOM 716 N GLN A 45 1.488 15.956 0.192 1.00 0.00 N ATOM 717 CA GLN A 45 0.175 16.677 0.200 1.00 0.00 C ATOM 718 C GLN A 45 -0.655 16.238 -1.009 1.00 0.00 C ATOM 719 O GLN A 45 -1.781 15.821 -0.867 1.00 0.00 O ATOM 720 CB GLN A 45 0.354 18.217 0.178 1.00 0.00 C ATOM 721 CG GLN A 45 1.611 18.615 -0.617 1.00 0.00 C ATOM 722 CD GLN A 45 2.783 18.874 0.337 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.530 19.812 0.158 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.981 18.061 1.341 1.00 0.00 N ATOM 0 H GLN A 45 2.316 16.523 0.007 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.339 16.419 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.525 18.683 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.431 18.592 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.872 17.823 -1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.409 19.509 -1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.352 17.272 1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.765 18.215 1.975 1.00 0.00 H new ATOM 733 N ASN A 46 -0.116 16.336 -2.197 1.00 0.00 N ATOM 734 CA ASN A 46 -0.900 15.938 -3.406 1.00 0.00 C ATOM 735 C ASN A 46 -1.292 14.462 -3.357 1.00 0.00 C ATOM 736 O ASN A 46 -2.316 14.074 -3.881 1.00 0.00 O ATOM 737 CB ASN A 46 -0.115 16.262 -4.685 1.00 0.00 C ATOM 738 CG ASN A 46 1.116 15.366 -4.837 1.00 0.00 C ATOM 739 OD1 ASN A 46 2.194 15.854 -5.117 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.012 14.072 -4.697 1.00 0.00 N ATOM 0 H ASN A 46 0.829 16.673 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.823 16.517 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.764 16.138 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.196 17.307 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.832 13.478 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.111 13.655 -4.462 1.00 0.00 H new ATOM 747 N ALA A 47 -0.506 13.632 -2.732 1.00 0.00 N ATOM 748 CA ALA A 47 -0.874 12.190 -2.671 1.00 0.00 C ATOM 749 C ALA A 47 -1.885 11.988 -1.551 1.00 0.00 C ATOM 750 O ALA A 47 -2.764 11.153 -1.636 1.00 0.00 O ATOM 751 CB ALA A 47 0.369 11.358 -2.368 1.00 0.00 C ATOM 0 H ALA A 47 0.365 13.885 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.299 11.880 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.099 10.303 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.109 11.510 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.788 11.666 -1.410 1.00 0.00 H new ATOM 757 N CYS A 48 -1.777 12.736 -0.492 1.00 0.00 N ATOM 758 CA CYS A 48 -2.740 12.560 0.621 1.00 0.00 C ATOM 759 C CYS A 48 -4.157 12.965 0.188 1.00 0.00 C ATOM 760 O CYS A 48 -5.114 12.298 0.523 1.00 0.00 O ATOM 761 CB CYS A 48 -2.303 13.400 1.816 1.00 0.00 C ATOM 762 SG CYS A 48 -2.739 15.134 1.538 1.00 0.00 S ATOM 0 H CYS A 48 -1.068 13.456 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.756 11.507 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.784 13.036 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.227 13.305 1.965 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.310 15.507 0.369 1.00 0.00 H new ATOM 768 N ARG A 49 -4.326 14.028 -0.568 1.00 0.00 N ATOM 769 CA ARG A 49 -5.719 14.368 -0.980 1.00 0.00 C ATOM 770 C ARG A 49 -6.221 13.224 -1.853 1.00 0.00 C ATOM 771 O ARG A 49 -7.308 12.713 -1.666 1.00 0.00 O ATOM 772 CB ARG A 49 -5.777 15.710 -1.728 1.00 0.00 C ATOM 773 CG ARG A 49 -4.567 15.866 -2.649 1.00 0.00 C ATOM 774 CD ARG A 49 -4.792 17.046 -3.607 1.00 0.00 C ATOM 775 NE ARG A 49 -4.786 18.330 -2.835 1.00 0.00 N ATOM 776 CZ ARG A 49 -4.687 19.479 -3.459 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.595 19.504 -4.762 1.00 0.00 N ATOM 778 NH2 ARG A 49 -4.682 20.604 -2.782 1.00 0.00 N ATOM 0 H ARG A 49 -3.590 14.649 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.354 14.486 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.695 15.767 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.804 16.531 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.667 16.032 -2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.410 14.949 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.011 17.064 -4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.742 16.928 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.859 18.310 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.600 18.632 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.518 20.396 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.755 20.587 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.605 21.495 -3.273 1.00 0.00 H new ATOM 792 N ASP A 50 -5.391 12.769 -2.752 1.00 0.00 N ATOM 793 CA ASP A 50 -5.742 11.594 -3.594 1.00 0.00 C ATOM 794 C ASP A 50 -4.964 10.437 -2.986 1.00 0.00 C ATOM 795 O ASP A 50 -3.868 10.109 -3.397 1.00 0.00 O ATOM 796 CB ASP A 50 -5.342 11.819 -5.062 1.00 0.00 C ATOM 797 CG ASP A 50 -4.088 12.683 -5.151 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.010 12.127 -5.112 1.00 0.00 O ATOM 799 OD2 ASP A 50 -4.230 13.891 -5.277 1.00 0.00 O ATOM 0 H ASP A 50 -4.472 13.169 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.816 11.407 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.164 10.859 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.160 12.300 -5.598 1.00 0.00 H new ATOM 804 N GLY A 51 -5.521 9.856 -1.969 1.00 0.00 N ATOM 805 CA GLY A 51 -4.837 8.753 -1.243 1.00 0.00 C ATOM 806 C GLY A 51 -4.697 7.537 -2.140 1.00 0.00 C ATOM 807 O GLY A 51 -4.407 6.451 -1.684 1.00 0.00 O ATOM 0 H GLY A 51 -6.440 10.102 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.853 9.083 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.404 8.491 -0.350 1.00 0.00 H new ATOM 811 N ARG A 52 -4.869 7.711 -3.418 1.00 0.00 N ATOM 812 CA ARG A 52 -4.719 6.560 -4.340 1.00 0.00 C ATOM 813 C ARG A 52 -3.239 6.490 -4.712 1.00 0.00 C ATOM 814 O ARG A 52 -2.816 6.918 -5.768 1.00 0.00 O ATOM 815 CB ARG A 52 -5.587 6.822 -5.581 1.00 0.00 C ATOM 816 CG ARG A 52 -7.059 6.963 -5.161 1.00 0.00 C ATOM 817 CD ARG A 52 -7.928 7.138 -6.403 1.00 0.00 C ATOM 818 NE ARG A 52 -7.438 8.308 -7.206 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.431 9.517 -6.723 1.00 0.00 C ATOM 820 NH1 ARG A 52 -7.993 9.766 -5.570 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.895 10.484 -7.418 1.00 0.00 N ATOM 0 H ARG A 52 -5.106 8.599 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.036 5.618 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.254 7.729 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.478 6.004 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.375 6.081 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.178 7.819 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.899 6.232 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.967 7.294 -6.112 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.101 8.151 -8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.438 9.012 -5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.986 10.714 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.486 10.289 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.885 11.434 -7.047 1.00 0.00 H new ATOM 835 N SER A 53 -2.449 5.978 -3.804 1.00 0.00 N ATOM 836 CA SER A 53 -0.979 5.893 -4.026 1.00 0.00 C ATOM 837 C SER A 53 -0.609 4.713 -4.921 1.00 0.00 C ATOM 838 O SER A 53 -1.139 3.629 -4.780 1.00 0.00 O ATOM 839 CB SER A 53 -0.273 5.729 -2.681 1.00 0.00 C ATOM 840 OG SER A 53 1.115 5.524 -2.908 1.00 0.00 O ATOM 0 H SER A 53 -2.767 5.611 -2.907 1.00 0.00 H new ATOM 0 HA SER A 53 -0.664 6.812 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.427 6.615 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.694 4.884 -2.136 1.00 0.00 H new ATOM 0 HG SER A 53 1.567 6.391 -2.974 1.00 0.00 H new ATOM 846 N GLU A 54 0.349 4.905 -5.798 1.00 0.00 N ATOM 847 CA GLU A 54 0.832 3.788 -6.664 1.00 0.00 C ATOM 848 C GLU A 54 2.292 3.544 -6.268 1.00 0.00 C ATOM 849 O GLU A 54 3.080 4.465 -6.192 1.00 0.00 O ATOM 850 CB GLU A 54 0.727 4.172 -8.152 1.00 0.00 C ATOM 851 CG GLU A 54 -0.741 4.434 -8.514 1.00 0.00 C ATOM 852 CD GLU A 54 -0.870 4.748 -10.012 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.092 5.246 -10.582 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.927 4.482 -10.562 1.00 0.00 O ATOM 0 H GLU A 54 0.819 5.797 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 54 0.230 2.890 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.325 5.061 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.128 3.372 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.346 3.562 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.125 5.268 -7.926 1.00 0.00 H new ATOM 861 N ILE A 55 2.662 2.325 -5.978 1.00 0.00 N ATOM 862 CA ILE A 55 4.071 2.062 -5.552 1.00 0.00 C ATOM 863 C ILE A 55 4.485 0.659 -5.980 1.00 0.00 C ATOM 864 O ILE A 55 3.653 -0.196 -6.208 1.00 0.00 O ATOM 865 CB ILE A 55 4.157 2.228 -4.033 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.461 1.624 -3.482 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.956 1.549 -3.368 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.839 2.311 -2.154 1.00 0.00 C ATOM 0 H ILE A 55 2.057 1.505 -6.017 1.00 0.00 H new ATOM 0 HA ILE A 55 4.753 2.768 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 55 4.149 3.294 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.337 0.553 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.265 1.749 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.022 1.670 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.034 2.006 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.956 0.487 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.763 1.878 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.982 3.378 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.040 2.163 -1.427 1.00 0.00 H new ATOM 880 N ALA A 56 5.766 0.423 -6.127 1.00 0.00 N ATOM 881 CA ALA A 56 6.220 -0.935 -6.595 1.00 0.00 C ATOM 882 C ALA A 56 7.508 -1.389 -5.911 1.00 0.00 C ATOM 883 O ALA A 56 8.193 -0.625 -5.249 1.00 0.00 O ATOM 884 CB ALA A 56 6.498 -0.858 -8.088 1.00 0.00 C ATOM 0 H ALA A 56 6.511 1.097 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 56 5.432 -1.647 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.829 -1.833 -8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.588 -0.567 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.277 -0.119 -8.275 1.00 0.00 H new ATOM 890 N PHE A 57 7.849 -2.645 -6.111 1.00 0.00 N ATOM 891 CA PHE A 57 9.102 -3.201 -5.525 1.00 0.00 C ATOM 892 C PHE A 57 10.267 -2.903 -6.485 1.00 0.00 C ATOM 893 O PHE A 57 10.205 -3.215 -7.656 1.00 0.00 O ATOM 894 CB PHE A 57 8.965 -4.727 -5.380 1.00 0.00 C ATOM 895 CG PHE A 57 7.820 -5.076 -4.450 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.935 -4.821 -3.082 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.657 -5.676 -4.952 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.888 -5.156 -2.212 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.611 -6.011 -4.080 1.00 0.00 C ATOM 900 CZ PHE A 57 5.728 -5.751 -2.715 1.00 0.00 C ATOM 0 H PHE A 57 7.303 -3.309 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 57 9.284 -2.751 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.795 -5.177 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.894 -5.146 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.833 -4.364 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.567 -5.880 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.978 -4.955 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.713 -6.471 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.921 -6.010 -2.046 1.00 0.00 H new ATOM 910 N VAL A 58 11.327 -2.305 -6.007 1.00 0.00 N ATOM 911 CA VAL A 58 12.480 -2.000 -6.913 1.00 0.00 C ATOM 912 C VAL A 58 13.034 -3.300 -7.507 1.00 0.00 C ATOM 913 O VAL A 58 13.360 -3.379 -8.676 1.00 0.00 O ATOM 914 CB VAL A 58 13.573 -1.301 -6.092 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.781 -0.984 -6.977 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.998 -0.003 -5.533 1.00 0.00 C ATOM 0 H VAL A 58 11.446 -2.015 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 58 12.151 -1.354 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 58 13.898 -1.954 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.548 -0.489 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.183 -1.910 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.473 -0.328 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.760 0.509 -4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.681 0.639 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.141 -0.228 -4.898 1.00 0.00 H new ATOM 926 N ALA A 59 13.133 -4.318 -6.695 1.00 0.00 N ATOM 927 CA ALA A 59 13.665 -5.636 -7.162 1.00 0.00 C ATOM 928 C ALA A 59 12.797 -6.223 -8.285 1.00 0.00 C ATOM 929 O ALA A 59 13.305 -6.713 -9.274 1.00 0.00 O ATOM 930 CB ALA A 59 13.664 -6.605 -5.979 1.00 0.00 C ATOM 0 H ALA A 59 12.864 -4.294 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 59 14.673 -5.488 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.049 -7.573 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.296 -6.209 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.646 -6.725 -5.608 1.00 0.00 H new ATOM 936 N THR A 60 11.492 -6.199 -8.127 1.00 0.00 N ATOM 937 CA THR A 60 10.576 -6.785 -9.168 1.00 0.00 C ATOM 938 C THR A 60 9.795 -5.671 -9.876 1.00 0.00 C ATOM 939 O THR A 60 9.431 -4.679 -9.283 1.00 0.00 O ATOM 940 CB THR A 60 9.591 -7.743 -8.489 1.00 0.00 C ATOM 941 OG1 THR A 60 10.299 -8.620 -7.621 1.00 0.00 O ATOM 942 CG2 THR A 60 8.859 -8.566 -9.555 1.00 0.00 C ATOM 0 H THR A 60 11.018 -5.797 -7.318 1.00 0.00 H new ATOM 0 HA THR A 60 11.172 -7.323 -9.906 1.00 0.00 H new ATOM 0 HB THR A 60 8.868 -7.166 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.221 -8.300 -6.698 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.159 -9.247 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.314 -7.897 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.584 -9.140 -10.132 1.00 0.00 H new ATOM 950 N GLY A 61 9.544 -5.828 -11.151 1.00 0.00 N ATOM 951 CA GLY A 61 8.795 -4.785 -11.918 1.00 0.00 C ATOM 952 C GLY A 61 7.323 -4.794 -11.506 1.00 0.00 C ATOM 953 O GLY A 61 6.519 -4.036 -12.015 1.00 0.00 O ATOM 0 H GLY A 61 9.828 -6.641 -11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.228 -3.802 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.884 -4.974 -12.988 1.00 0.00 H new ATOM 957 N THR A 62 6.960 -5.654 -10.594 1.00 0.00 N ATOM 958 CA THR A 62 5.537 -5.721 -10.157 1.00 0.00 C ATOM 959 C THR A 62 5.149 -4.442 -9.413 1.00 0.00 C ATOM 960 O THR A 62 5.882 -3.945 -8.583 1.00 0.00 O ATOM 961 CB THR A 62 5.341 -6.911 -9.218 1.00 0.00 C ATOM 962 OG1 THR A 62 5.706 -8.120 -9.869 1.00 0.00 O ATOM 963 CG2 THR A 62 3.877 -6.977 -8.800 1.00 0.00 C ATOM 0 H THR A 62 7.587 -6.313 -10.133 1.00 0.00 H new ATOM 0 HA THR A 62 4.909 -5.833 -11.041 1.00 0.00 H new ATOM 0 HB THR A 62 5.974 -6.784 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.577 -8.874 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.728 -7.823 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.603 -6.055 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.251 -7.100 -9.684 1.00 0.00 H new ATOM 971 N ASN A 63 3.983 -3.916 -9.707 1.00 0.00 N ATOM 972 CA ASN A 63 3.499 -2.666 -9.039 1.00 0.00 C ATOM 973 C ASN A 63 2.053 -2.865 -8.551 1.00 0.00 C ATOM 974 O ASN A 63 1.195 -3.274 -9.304 1.00 0.00 O ATOM 975 CB ASN A 63 3.526 -1.524 -10.061 1.00 0.00 C ATOM 976 CG ASN A 63 3.036 -0.241 -9.396 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.763 0.725 -9.295 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.822 -0.198 -8.925 1.00 0.00 N ATOM 0 H ASN A 63 3.337 -4.307 -10.393 1.00 0.00 H new ATOM 0 HA ASN A 63 4.139 -2.432 -8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.538 -1.386 -10.443 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.894 -1.769 -10.914 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.481 0.649 -8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.212 -1.011 -9.011 1.00 0.00 H new ATOM 985 N LEU A 64 1.780 -2.568 -7.302 1.00 0.00 N ATOM 986 CA LEU A 64 0.389 -2.721 -6.758 1.00 0.00 C ATOM 987 C LEU A 64 -0.175 -1.330 -6.433 1.00 0.00 C ATOM 988 O LEU A 64 0.518 -0.471 -5.923 1.00 0.00 O ATOM 989 CB LEU A 64 0.427 -3.578 -5.476 1.00 0.00 C ATOM 990 CG LEU A 64 0.367 -5.077 -5.832 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.576 -5.462 -6.703 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.383 -5.906 -4.537 1.00 0.00 C ATOM 0 H LEU A 64 2.466 -2.223 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.245 -3.212 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.338 -3.367 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.412 -3.317 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.549 -5.278 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.524 -6.523 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.564 -4.875 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.497 -5.261 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.341 -6.967 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.299 -5.698 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.479 -5.641 -3.925 1.00 0.00 H new ATOM 1004 N SER A 65 -1.434 -1.115 -6.715 1.00 0.00 N ATOM 1005 CA SER A 65 -2.075 0.202 -6.415 1.00 0.00 C ATOM 1006 C SER A 65 -2.957 0.039 -5.176 1.00 0.00 C ATOM 1007 O SER A 65 -3.575 -0.988 -4.980 1.00 0.00 O ATOM 1008 CB SER A 65 -2.940 0.642 -7.594 1.00 0.00 C ATOM 1009 OG SER A 65 -2.107 0.929 -8.712 1.00 0.00 O ATOM 0 H SER A 65 -2.052 -1.803 -7.145 1.00 0.00 H new ATOM 0 HA SER A 65 -1.306 0.955 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.652 -0.143 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.521 1.524 -7.324 1.00 0.00 H new ATOM 0 HG SER A 65 -2.662 1.210 -9.470 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.018 1.039 -4.332 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.865 0.939 -3.098 1.00 0.00 C ATOM 1017 C LEU A 66 -4.543 2.286 -2.821 1.00 0.00 C ATOM 1018 O LEU A 66 -4.104 3.330 -3.276 1.00 0.00 O ATOM 1019 CB LEU A 66 -2.985 0.535 -1.901 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.575 1.132 -2.071 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -0.859 1.124 -0.717 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.746 0.327 -3.108 1.00 0.00 C ATOM 0 H LEU A 66 -2.519 1.922 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.635 0.182 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.432 0.890 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.925 -0.551 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.672 2.154 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.140 1.545 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.425 1.721 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.781 0.100 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.244 0.772 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.648 -0.706 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.251 0.349 -4.074 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.617 2.259 -2.071 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.352 3.516 -1.750 1.00 0.00 C ATOM 1036 C GLN A 67 -6.802 3.442 -0.278 1.00 0.00 C ATOM 1037 O GLN A 67 -7.631 2.629 0.085 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.595 3.611 -2.661 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.213 3.304 -4.120 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.444 3.469 -5.022 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.565 3.380 -4.565 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.278 3.705 -6.297 1.00 0.00 N ATOM 0 H GLN A 67 -6.017 1.413 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.717 4.388 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.357 2.909 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.028 4.609 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.418 3.974 -4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.826 2.288 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.337 3.780 -6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.089 3.814 -6.905 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.252 4.273 0.577 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.648 4.239 2.026 1.00 0.00 C ATOM 1053 C PHE A 68 -7.834 5.178 2.258 1.00 0.00 C ATOM 1054 O PHE A 68 -8.946 4.747 2.474 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.452 4.660 2.910 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.523 5.540 2.117 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.627 4.957 1.220 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.551 6.930 2.285 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.757 5.763 0.479 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.680 7.738 1.546 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.781 7.155 0.646 1.00 0.00 C ATOM 0 H PHE A 68 -5.548 4.971 0.337 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.941 3.224 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.808 5.192 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.919 3.777 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.605 3.884 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.243 7.377 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.068 5.314 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.702 8.811 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.105 7.778 0.079 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.600 6.462 2.224 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.707 7.441 2.455 1.00 0.00 C ATOM 1073 C PHE A 69 -8.482 8.683 1.581 1.00 0.00 C ATOM 1074 O PHE A 69 -7.984 9.691 2.045 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.703 7.832 3.936 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.696 8.952 4.176 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.049 8.769 3.863 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.258 10.174 4.707 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.961 9.809 4.075 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.172 11.211 4.924 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.523 11.028 4.605 1.00 0.00 C ATOM 0 H PHE A 69 -6.686 6.879 2.046 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.668 6.998 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.960 6.969 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.704 8.150 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.388 7.827 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.215 10.315 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.004 9.671 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.836 12.151 5.337 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.229 11.829 4.768 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.825 8.602 0.320 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.633 9.722 -0.646 1.00 0.00 C ATOM 1093 C PRO A 70 -9.786 10.736 -0.632 1.00 0.00 C ATOM 1094 O PRO A 70 -10.906 10.408 -0.299 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.564 8.989 -1.987 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.467 7.803 -1.825 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.437 7.429 -0.333 1.00 0.00 C ATOM 0 HA PRO A 70 -7.753 10.323 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.895 9.629 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.544 8.681 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.481 8.042 -2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.127 6.970 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.439 7.237 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.852 6.526 -0.160 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.515 11.969 -0.993 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.596 12.994 -0.997 1.00 0.00 C ATOM 1107 C ALA A 71 -11.742 12.531 -1.898 1.00 0.00 C ATOM 1108 O ALA A 71 -12.899 12.682 -1.561 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.043 14.331 -1.498 1.00 0.00 C ATOM 0 H ALA A 71 -8.596 12.304 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.971 13.125 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.838 15.076 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.237 14.660 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.659 14.209 -2.511 1.00 0.00 H new ATOM 1115 N SER A 72 -11.452 11.947 -3.031 1.00 0.00 N ATOM 1116 CA SER A 72 -12.570 11.469 -3.898 1.00 0.00 C ATOM 1117 C SER A 72 -12.042 10.576 -5.012 1.00 0.00 C ATOM 1118 O SER A 72 -11.165 10.947 -5.770 1.00 0.00 O ATOM 1119 CB SER A 72 -13.313 12.666 -4.487 1.00 0.00 C ATOM 1120 OG SER A 72 -14.660 12.302 -4.730 1.00 0.00 O ATOM 0 H SER A 72 -10.511 11.782 -3.388 1.00 0.00 H new ATOM 0 HA SER A 72 -13.259 10.883 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.270 13.511 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.837 12.985 -5.414 1.00 0.00 H new ATOM 0 HG SER A 72 -15.180 13.102 -4.954 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.587 9.401 -5.133 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.130 8.487 -6.207 1.00 0.00 C ATOM 1128 C TRP A 73 -12.833 8.861 -7.519 1.00 0.00 C ATOM 1129 O TRP A 73 -12.298 9.597 -8.324 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.488 7.056 -5.799 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.109 6.075 -6.861 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.214 6.280 -7.862 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.600 4.715 -7.028 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.135 5.132 -8.631 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.975 4.140 -8.157 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -13.526 3.934 -6.311 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -12.260 2.832 -8.562 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -13.814 2.620 -6.715 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -13.183 2.071 -7.839 1.00 0.00 C ATOM 0 H TRP A 73 -13.328 9.036 -4.535 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.053 8.568 -6.354 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.978 6.803 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.558 6.989 -5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.656 7.189 -8.030 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.532 5.030 -9.447 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.019 4.348 -5.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.770 2.412 -9.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.525 2.030 -6.156 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -13.410 1.061 -8.147 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.032 8.383 -7.735 1.00 0.00 N ATOM 1151 CA GLN A 74 -14.750 8.740 -8.995 1.00 0.00 C ATOM 1152 C GLN A 74 -15.427 10.113 -8.845 1.00 0.00 C ATOM 1153 O GLN A 74 -15.932 10.665 -9.803 1.00 0.00 O ATOM 1154 CB GLN A 74 -15.824 7.686 -9.298 1.00 0.00 C ATOM 1155 CG GLN A 74 -15.174 6.304 -9.440 1.00 0.00 C ATOM 1156 CD GLN A 74 -14.176 6.310 -10.604 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -14.500 6.729 -11.696 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -12.966 5.861 -10.411 1.00 0.00 N ATOM 0 H GLN A 74 -14.540 7.767 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.028 8.776 -9.810 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.565 7.669 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.352 7.945 -10.216 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.664 6.036 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.941 5.548 -9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.693 5.509 -9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.293 5.862 -11.178 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.443 10.686 -7.664 1.00 0.00 N ATOM 1168 CA GLY A 75 -16.087 12.029 -7.496 1.00 0.00 C ATOM 1169 C GLY A 75 -15.037 13.109 -7.721 1.00 0.00 C ATOM 1170 O GLY A 75 -13.885 12.819 -7.974 1.00 0.00 O ATOM 0 H GLY A 75 -15.042 10.286 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.906 12.146 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.514 12.120 -6.497 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.405 14.352 -7.617 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.396 15.421 -7.820 1.00 0.00 C ATOM 1176 C GLU A 76 -13.583 15.559 -6.529 1.00 0.00 C ATOM 1177 O GLU A 76 -14.128 15.695 -5.449 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.103 16.741 -8.174 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.086 17.130 -7.067 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.961 18.299 -7.537 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.489 19.421 -7.490 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.086 18.050 -7.937 1.00 0.00 O ATOM 0 H GLU A 76 -16.350 14.671 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.727 15.171 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.365 17.532 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.634 16.635 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.712 16.276 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.541 17.411 -6.166 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.276 15.499 -6.632 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.420 15.605 -5.414 1.00 0.00 C ATOM 1191 C GLN A 77 -11.446 17.039 -4.875 1.00 0.00 C ATOM 1192 O GLN A 77 -11.579 17.995 -5.616 1.00 0.00 O ATOM 1193 CB GLN A 77 -9.979 15.152 -5.736 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.269 16.147 -6.664 1.00 0.00 C ATOM 1195 CD GLN A 77 -10.025 16.259 -7.986 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -10.466 15.267 -8.538 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -10.189 17.434 -8.524 1.00 0.00 N ATOM 0 H GLN A 77 -11.768 15.381 -7.509 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.814 14.947 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.413 15.050 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.002 14.169 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.210 17.125 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.246 15.819 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.819 18.264 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.688 17.524 -9.409 1.00 0.00 H new ATOM 1206 N ARG A 78 -11.314 17.185 -3.577 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.310 18.539 -2.941 1.00 0.00 C ATOM 1208 C ARG A 78 -9.870 18.904 -2.590 1.00 0.00 C ATOM 1209 O ARG A 78 -8.999 18.056 -2.588 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.188 18.536 -1.678 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.646 18.198 -2.034 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.287 19.356 -2.816 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.771 19.186 -2.809 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.553 20.140 -3.242 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -16.042 21.268 -3.657 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.843 19.964 -3.267 1.00 0.00 N ATOM 0 H ARG A 78 -11.207 16.410 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.718 19.276 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.804 17.808 -0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.143 19.512 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.680 17.286 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.215 18.006 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.015 20.310 -2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.915 19.370 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.178 18.317 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.031 21.406 -3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.654 22.011 -3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.244 19.082 -2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.453 20.709 -3.605 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.606 20.153 -2.310 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.205 20.561 -1.984 1.00 0.00 C ATOM 1232 C GLN A 79 -7.883 20.213 -0.534 1.00 0.00 C ATOM 1233 O GLN A 79 -6.810 20.502 -0.042 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.022 22.075 -2.198 1.00 0.00 C ATOM 1235 CG GLN A 79 -9.059 22.871 -1.375 1.00 0.00 C ATOM 1236 CD GLN A 79 -10.281 23.207 -2.238 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -10.952 24.189 -1.997 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.592 22.433 -3.242 1.00 0.00 N ATOM 0 H GLN A 79 -10.294 20.905 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.527 20.023 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.014 22.370 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.129 22.314 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.368 22.289 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.607 23.789 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.027 21.608 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.400 22.653 -3.825 1.00 0.00 H new ATOM 1247 N THR A 80 -8.793 19.592 0.155 1.00 0.00 N ATOM 1248 CA THR A 80 -8.520 19.221 1.566 1.00 0.00 C ATOM 1249 C THR A 80 -7.680 17.923 1.569 1.00 0.00 C ATOM 1250 O THR A 80 -7.987 16.997 0.843 1.00 0.00 O ATOM 1251 CB THR A 80 -9.846 18.983 2.307 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.595 18.894 3.705 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.500 17.679 1.823 1.00 0.00 C ATOM 0 H THR A 80 -9.713 19.326 -0.197 1.00 0.00 H new ATOM 0 HA THR A 80 -7.978 20.022 2.069 1.00 0.00 H new ATOM 0 HB THR A 80 -10.520 19.815 2.103 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.439 18.744 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.438 17.523 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.697 17.746 0.753 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.829 16.842 2.016 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.636 17.834 2.365 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.790 16.612 2.431 1.00 0.00 C ATOM 1263 C PRO A 81 -6.373 15.561 3.380 1.00 0.00 C ATOM 1264 O PRO A 81 -7.392 15.774 4.012 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.469 17.153 2.977 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.879 18.246 3.906 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.134 18.876 3.286 1.00 0.00 C ATOM 0 HA PRO A 81 -5.702 16.107 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.906 16.378 3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.831 17.528 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.089 17.854 4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.085 18.984 4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.873 19.126 4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.898 19.798 2.755 1.00 0.00 H new ATOM 1275 N SER A 82 -5.720 14.439 3.500 1.00 0.00 N ATOM 1276 CA SER A 82 -6.207 13.376 4.428 1.00 0.00 C ATOM 1277 C SER A 82 -5.620 13.623 5.812 1.00 0.00 C ATOM 1278 O SER A 82 -4.423 13.610 5.995 1.00 0.00 O ATOM 1279 CB SER A 82 -5.744 12.003 3.936 1.00 0.00 C ATOM 1280 OG SER A 82 -5.767 11.094 5.024 1.00 0.00 O ATOM 0 H SER A 82 -4.865 14.210 2.993 1.00 0.00 H new ATOM 0 HA SER A 82 -7.296 13.401 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.395 11.650 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.738 12.070 3.522 1.00 0.00 H new ATOM 0 HG SER A 82 -5.473 10.210 4.718 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.449 13.837 6.792 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.929 14.059 8.169 1.00 0.00 C ATOM 1288 C ARG A 83 -5.141 12.833 8.599 1.00 0.00 C ATOM 1289 O ARG A 83 -4.139 12.918 9.280 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.101 14.242 9.136 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.562 14.570 10.535 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.725 14.749 11.517 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.348 13.427 11.790 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.130 13.270 12.823 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.388 14.273 13.618 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -9.666 12.106 13.052 1.00 0.00 N ATOM 0 H ARG A 83 -7.464 13.868 6.700 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.296 14.946 8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.752 15.044 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.704 13.334 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.906 13.770 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.963 15.480 10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.366 15.193 12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.465 15.433 11.101 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.164 12.640 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.977 15.188 13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.000 14.141 14.423 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.474 11.324 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.278 11.976 13.857 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.617 11.686 8.225 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.938 10.427 8.633 1.00 0.00 C ATOM 1312 C GLU A 84 -3.490 10.422 8.142 1.00 0.00 C ATOM 1313 O GLU A 84 -2.623 9.830 8.750 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.698 9.240 8.038 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.123 9.253 8.590 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.924 8.081 8.021 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.357 7.306 7.267 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.096 7.979 8.346 1.00 0.00 O ATOM 0 H GLU A 84 -6.451 11.562 7.651 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.931 10.353 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.712 9.306 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.201 8.305 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.099 9.192 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.611 10.194 8.334 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.229 11.063 7.042 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.844 11.087 6.489 1.00 0.00 C ATOM 1327 C TYR A 85 -0.883 11.822 7.425 1.00 0.00 C ATOM 1328 O TYR A 85 0.229 11.381 7.646 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.913 11.750 5.089 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.871 12.837 4.865 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.490 12.542 4.981 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.276 14.126 4.473 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.449 13.526 4.696 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.322 15.110 4.195 1.00 0.00 C ATOM 1335 CZ TYR A 85 1.042 14.810 4.301 1.00 0.00 C ATOM 1336 OH TYR A 85 1.982 15.780 4.019 1.00 0.00 O ATOM 0 H TYR A 85 -3.919 11.577 6.495 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.452 10.074 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.789 10.980 4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.906 12.179 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.804 11.556 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.328 14.356 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.501 13.295 4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.637 16.100 3.899 1.00 0.00 H new ATOM 0 HH TYR A 85 1.529 16.609 3.760 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.280 12.930 7.978 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.352 13.673 8.880 1.00 0.00 C ATOM 1348 C VAL A 86 -0.555 13.215 10.312 1.00 0.00 C ATOM 1349 O VAL A 86 0.008 13.766 11.234 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.582 15.181 8.746 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.633 15.947 9.293 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.768 15.523 7.268 1.00 0.00 C ATOM 0 H VAL A 86 -2.199 13.354 7.848 1.00 0.00 H new ATOM 0 HA VAL A 86 0.678 13.463 8.593 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.469 15.465 9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.462 17.019 9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.777 15.698 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.523 15.668 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.933 16.595 7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.125 15.236 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.629 14.983 6.875 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.328 12.183 10.509 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.524 11.669 11.894 1.00 0.00 C ATOM 1364 C ASP A 87 -0.477 10.583 12.122 1.00 0.00 C ATOM 1365 O ASP A 87 -0.329 10.067 13.209 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.953 11.108 12.068 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.100 9.697 11.463 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.132 9.168 10.950 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.198 9.168 11.525 1.00 0.00 O ATOM 0 H ASP A 87 -1.828 11.677 9.778 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.407 12.469 12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.202 11.075 13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.667 11.782 11.594 1.00 0.00 H new ATOM 1374 N LEU A 88 0.273 10.251 11.087 1.00 0.00 N ATOM 1375 CA LEU A 88 1.344 9.215 11.229 1.00 0.00 C ATOM 1376 C LEU A 88 2.655 9.851 10.800 1.00 0.00 C ATOM 1377 O LEU A 88 3.724 9.321 11.024 1.00 0.00 O ATOM 1378 CB LEU A 88 1.040 7.961 10.375 1.00 0.00 C ATOM 1379 CG LEU A 88 0.310 8.324 9.064 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.319 8.813 8.028 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.384 7.080 8.505 1.00 0.00 C ATOM 0 H LEU A 88 0.185 10.655 10.155 1.00 0.00 H new ATOM 0 HA LEU A 88 1.399 8.880 12.265 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.972 7.445 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.428 7.268 10.952 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.421 9.105 9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.798 9.068 7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.834 9.695 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.046 8.026 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.900 7.336 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.359 6.308 8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.106 6.709 9.232 1.00 0.00 H new ATOM 1393 N GLU A 89 2.579 11.008 10.209 1.00 0.00 N ATOM 1394 CA GLU A 89 3.817 11.703 9.787 1.00 0.00 C ATOM 1395 C GLU A 89 4.476 12.296 11.023 1.00 0.00 C ATOM 1396 O GLU A 89 5.677 12.303 11.165 1.00 0.00 O ATOM 1397 CB GLU A 89 3.463 12.809 8.799 1.00 0.00 C ATOM 1398 CG GLU A 89 4.754 13.384 8.228 1.00 0.00 C ATOM 1399 CD GLU A 89 4.422 14.441 7.181 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.355 15.023 7.272 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.238 14.651 6.300 1.00 0.00 O ATOM 0 H GLU A 89 1.711 11.501 10.001 1.00 0.00 H new ATOM 0 HA GLU A 89 4.501 11.007 9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.838 12.415 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.888 13.590 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.353 13.823 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.352 12.590 7.781 1.00 0.00 H new ATOM 1408 N ARG A 90 3.676 12.771 11.923 1.00 0.00 N ATOM 1409 CA ARG A 90 4.194 13.342 13.189 1.00 0.00 C ATOM 1410 C ARG A 90 4.803 12.227 14.055 1.00 0.00 C ATOM 1411 O ARG A 90 5.621 12.473 14.920 1.00 0.00 O ATOM 1412 CB ARG A 90 3.023 13.979 13.936 1.00 0.00 C ATOM 1413 CG ARG A 90 3.520 14.801 15.135 1.00 0.00 C ATOM 1414 CD ARG A 90 3.942 16.204 14.680 1.00 0.00 C ATOM 1415 NE ARG A 90 4.925 16.772 15.655 1.00 0.00 N ATOM 1416 CZ ARG A 90 4.655 16.852 16.931 1.00 0.00 C ATOM 1417 NH1 ARG A 90 3.463 16.558 17.375 1.00 0.00 N ATOM 1418 NH2 ARG A 90 5.580 17.260 17.760 1.00 0.00 N ATOM 0 H ARG A 90 2.660 12.789 11.834 1.00 0.00 H new ATOM 0 HA ARG A 90 4.964 14.084 12.977 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.460 14.621 13.258 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.340 13.202 14.280 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.732 14.876 15.885 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.362 14.296 15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.386 16.157 13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.069 16.852 14.609 1.00 0.00 H new ATOM 0 HE ARG A 90 5.827 17.105 15.315 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.735 16.263 16.724 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.260 16.623 18.372 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.504 17.513 17.409 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.378 17.325 18.758 1.00 0.00 H new ATOM 1432 N GLU A 91 4.363 11.009 13.870 1.00 0.00 N ATOM 1433 CA GLU A 91 4.868 9.891 14.734 1.00 0.00 C ATOM 1434 C GLU A 91 6.343 9.564 14.430 1.00 0.00 C ATOM 1435 O GLU A 91 7.233 10.303 14.795 1.00 0.00 O ATOM 1436 CB GLU A 91 4.002 8.644 14.490 1.00 0.00 C ATOM 1437 CG GLU A 91 4.348 7.527 15.486 1.00 0.00 C ATOM 1438 CD GLU A 91 3.586 6.265 15.086 1.00 0.00 C ATOM 1439 OE1 GLU A 91 4.114 5.509 14.290 1.00 0.00 O ATOM 1440 OE2 GLU A 91 2.483 6.085 15.574 1.00 0.00 O ATOM 0 H GLU A 91 3.680 10.737 13.163 1.00 0.00 H new ATOM 0 HA GLU A 91 4.804 10.202 15.777 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.948 8.905 14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.152 8.287 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.421 7.337 15.484 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.079 7.826 16.499 1.00 0.00 H new ATOM 1447 N ALA A 92 6.608 8.452 13.792 1.00 0.00 N ATOM 1448 CA ALA A 92 8.019 8.060 13.494 1.00 0.00 C ATOM 1449 C ALA A 92 8.701 9.127 12.638 1.00 0.00 C ATOM 1450 O ALA A 92 9.884 9.047 12.356 1.00 0.00 O ATOM 1451 CB ALA A 92 8.010 6.726 12.730 1.00 0.00 C ATOM 0 H ALA A 92 5.902 7.794 13.462 1.00 0.00 H new ATOM 0 HA ALA A 92 8.569 7.959 14.430 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.034 6.428 12.506 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.535 5.959 13.342 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.455 6.843 11.800 1.00 0.00 H new ATOM 1457 N GLY A 93 7.957 10.092 12.181 1.00 0.00 N ATOM 1458 CA GLY A 93 8.551 11.133 11.297 1.00 0.00 C ATOM 1459 C GLY A 93 8.538 10.588 9.873 1.00 0.00 C ATOM 1460 O GLY A 93 9.266 11.037 9.010 1.00 0.00 O ATOM 0 H GLY A 93 6.963 10.206 12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.980 12.059 11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.569 11.365 11.609 1.00 0.00 H new ATOM 1464 N LYS A 94 7.712 9.599 9.638 1.00 0.00 N ATOM 1465 CA LYS A 94 7.630 8.964 8.285 1.00 0.00 C ATOM 1466 C LYS A 94 6.178 8.927 7.826 1.00 0.00 C ATOM 1467 O LYS A 94 5.266 8.951 8.622 1.00 0.00 O ATOM 1468 CB LYS A 94 8.107 7.517 8.385 1.00 0.00 C ATOM 1469 CG LYS A 94 9.521 7.461 8.977 1.00 0.00 C ATOM 1470 CD LYS A 94 10.089 6.034 8.845 1.00 0.00 C ATOM 1471 CE LYS A 94 9.593 5.159 9.995 1.00 0.00 C ATOM 1472 NZ LYS A 94 10.187 3.801 9.867 1.00 0.00 N ATOM 0 H LYS A 94 7.083 9.199 10.334 1.00 0.00 H new ATOM 0 HA LYS A 94 8.242 9.536 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.421 6.944 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.101 7.056 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.169 8.169 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.498 7.757 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.785 5.601 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.178 6.067 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.871 5.602 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.505 5.096 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.610 3.118 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.212 3.526 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.154 3.808 10.249 1.00 0.00 H new ATOM 1486 N VAL A 95 5.961 8.823 6.541 1.00 0.00 N ATOM 1487 CA VAL A 95 4.571 8.741 6.013 1.00 0.00 C ATOM 1488 C VAL A 95 4.367 7.345 5.442 1.00 0.00 C ATOM 1489 O VAL A 95 5.113 6.907 4.585 1.00 0.00 O ATOM 1490 CB VAL A 95 4.412 9.775 4.906 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.975 9.753 4.364 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.724 11.157 5.471 1.00 0.00 C ATOM 0 H VAL A 95 6.693 8.791 5.832 1.00 0.00 H new ATOM 0 HA VAL A 95 3.840 8.934 6.799 1.00 0.00 H new ATOM 0 HB VAL A 95 5.098 9.542 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.873 10.496 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.752 8.764 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.278 9.983 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.613 11.905 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.035 11.381 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.747 11.174 5.846 1.00 0.00 H new ATOM 1502 N TYR A 96 3.374 6.630 5.896 1.00 0.00 N ATOM 1503 CA TYR A 96 3.163 5.262 5.349 1.00 0.00 C ATOM 1504 C TYR A 96 1.693 4.888 5.366 1.00 0.00 C ATOM 1505 O TYR A 96 0.886 5.483 6.057 1.00 0.00 O ATOM 1506 CB TYR A 96 3.966 4.247 6.150 1.00 0.00 C ATOM 1507 CG TYR A 96 3.393 4.046 7.518 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.767 4.894 8.557 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.520 2.977 7.751 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.264 4.684 9.841 1.00 0.00 C ATOM 1511 CE2 TYR A 96 2.018 2.757 9.028 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.387 3.613 10.080 1.00 0.00 C ATOM 1513 OH TYR A 96 1.886 3.400 11.345 1.00 0.00 O ATOM 0 H TYR A 96 2.710 6.928 6.610 1.00 0.00 H new ATOM 0 HA TYR A 96 3.506 5.255 4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.983 3.295 5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.999 4.584 6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.445 5.713 8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.237 2.324 6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.548 5.343 10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.347 1.931 9.211 1.00 0.00 H new ATOM 0 HH TYR A 96 1.294 2.619 11.335 1.00 0.00 H new ATOM 1523 N LEU A 97 1.350 3.891 4.595 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.064 3.433 4.533 1.00 0.00 C ATOM 1525 C LEU A 97 -0.133 1.899 4.548 1.00 0.00 C ATOM 1526 O LEU A 97 0.763 1.198 4.073 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.762 4.018 3.283 1.00 0.00 C ATOM 1528 CG LEU A 97 0.176 4.089 2.049 1.00 0.00 C ATOM 1529 CD1 LEU A 97 1.259 5.182 2.218 1.00 0.00 C ATOM 1530 CD2 LEU A 97 0.839 2.729 1.788 1.00 0.00 C ATOM 0 H LEU A 97 1.996 3.371 4.001 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.593 3.797 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.631 3.407 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.130 5.018 3.512 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.441 4.353 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.897 5.202 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.780 6.153 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.864 4.962 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.492 2.803 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.426 2.437 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.070 1.979 1.601 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.203 1.377 5.109 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.388 -0.101 5.194 1.00 0.00 C ATOM 1544 C LYS A 98 -2.831 -0.457 4.835 1.00 0.00 C ATOM 1545 O LYS A 98 -3.766 0.200 5.252 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.057 -0.574 6.617 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.032 0.032 7.619 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.545 -0.279 9.037 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.640 0.080 10.037 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.997 1.522 9.889 1.00 0.00 N ATOM 0 H LYS A 98 -1.962 1.924 5.515 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.719 -0.599 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.105 -1.662 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.037 -0.288 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.101 1.110 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.031 -0.376 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.290 -1.335 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.639 0.286 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.519 -0.542 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.299 -0.119 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.529 1.835 10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.129 2.087 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.582 1.649 9.039 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.014 -1.491 4.041 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.401 -1.883 3.633 1.00 0.00 C ATOM 1566 C ALA A 99 -4.446 -3.349 3.150 1.00 0.00 C ATOM 1567 O ALA A 99 -3.536 -3.796 2.483 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.825 -0.983 2.471 1.00 0.00 C ATOM 0 H ALA A 99 -2.268 -2.074 3.662 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.065 -1.777 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.834 -1.249 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.808 0.058 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.136 -1.117 1.637 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.516 -4.081 3.412 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.659 -5.484 2.914 1.00 0.00 C ATOM 1576 C PRO A 100 -6.173 -5.503 1.462 1.00 0.00 C ATOM 1577 O PRO A 100 -7.347 -5.311 1.215 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.700 -6.077 3.866 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.596 -4.926 4.190 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.696 -3.679 4.212 1.00 0.00 C ATOM 0 HA PRO A 100 -4.719 -6.035 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.252 -6.891 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.234 -6.484 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.385 -4.824 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.084 -5.071 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.199 -2.815 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.416 -3.406 5.229 1.00 0.00 H new ATOM 1588 N MET A 101 -5.303 -5.703 0.497 1.00 0.00 N ATOM 1589 CA MET A 101 -5.762 -5.695 -0.944 1.00 0.00 C ATOM 1590 C MET A 101 -6.020 -7.113 -1.464 1.00 0.00 C ATOM 1591 O MET A 101 -5.183 -7.986 -1.366 1.00 0.00 O ATOM 1592 CB MET A 101 -4.691 -5.024 -1.827 1.00 0.00 C ATOM 1593 CG MET A 101 -5.153 -4.990 -3.295 1.00 0.00 C ATOM 1594 SD MET A 101 -6.531 -3.828 -3.478 1.00 0.00 S ATOM 1595 CE MET A 101 -5.617 -2.290 -3.197 1.00 0.00 C ATOM 0 H MET A 101 -4.306 -5.870 0.636 1.00 0.00 H new ATOM 0 HA MET A 101 -6.697 -5.137 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.503 -4.010 -1.474 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.751 -5.569 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.326 -4.692 -3.939 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.461 -5.986 -3.612 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.910 -1.862 -2.238 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.547 -2.499 -3.189 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.843 -1.582 -3.994 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.166 -7.332 -2.067 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.464 -8.672 -2.649 1.00 0.00 C ATOM 1607 C ILE A 102 -6.945 -8.747 -4.080 1.00 0.00 C ATOM 1608 O ILE A 102 -7.182 -7.883 -4.903 1.00 0.00 O ATOM 1609 CB ILE A 102 -8.973 -8.997 -2.597 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.808 -7.768 -2.994 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.359 -9.465 -1.190 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.301 -8.059 -2.773 1.00 0.00 C ATOM 0 H ILE A 102 -7.905 -6.638 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.952 -9.421 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.180 -9.797 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.505 -6.904 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.628 -7.517 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.425 -9.692 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.790 -10.359 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.137 -8.677 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -11.888 -7.185 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.600 -8.910 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.475 -8.288 -1.722 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.245 -9.813 -4.354 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.670 -10.078 -5.705 1.00 0.00 C ATOM 1626 C LEU A 103 -6.501 -11.205 -6.314 1.00 0.00 C ATOM 1627 O LEU A 103 -7.462 -11.642 -5.717 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.208 -10.542 -5.570 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.270 -9.339 -5.418 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.554 -8.618 -4.093 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -1.815 -9.840 -5.443 1.00 0.00 C ATOM 0 H LEU A 103 -6.040 -10.540 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.691 -9.181 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.108 -11.199 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.923 -11.123 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.433 -8.638 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.884 -7.764 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.587 -8.271 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.393 -9.306 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.137 -8.993 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.656 -10.538 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.620 -10.344 -6.390 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.165 -11.687 -7.483 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.975 -12.801 -8.057 1.00 0.00 C ATOM 1645 C ASN A 104 -6.809 -14.031 -7.148 1.00 0.00 C ATOM 1646 O ASN A 104 -6.279 -15.051 -7.545 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.475 -13.131 -9.468 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.485 -14.051 -10.158 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.666 -13.976 -9.892 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.072 -14.928 -11.036 1.00 0.00 N ATOM 0 H ASN A 104 -5.383 -11.366 -8.054 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.025 -12.513 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.346 -12.215 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.500 -13.615 -9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.742 -15.546 -11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.080 -14.994 -11.263 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.259 -13.921 -5.920 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.145 -15.039 -4.937 1.00 0.00 C ATOM 1659 C GLY A 105 -7.824 -14.618 -3.628 1.00 0.00 C ATOM 1660 O GLY A 105 -9.024 -14.740 -3.465 1.00 0.00 O ATOM 0 H GLY A 105 -7.710 -13.083 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.615 -15.939 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.097 -15.279 -4.758 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.058 -14.106 -2.698 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.642 -13.659 -1.394 1.00 0.00 C ATOM 1666 C VAL A 106 -6.868 -12.423 -0.908 1.00 0.00 C ATOM 1667 O VAL A 106 -5.987 -11.936 -1.592 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.582 -14.794 -0.346 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.860 -14.760 0.507 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.479 -16.161 -1.051 1.00 0.00 C ATOM 0 H VAL A 106 -6.050 -13.977 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.692 -13.401 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.706 -14.652 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.824 -15.558 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.934 -13.798 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.730 -14.900 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.437 -16.954 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.351 -16.308 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.576 -16.189 -1.660 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.211 -11.879 0.235 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.505 -10.646 0.694 1.00 0.00 C ATOM 1682 C CYS A 107 -5.113 -10.931 1.233 1.00 0.00 C ATOM 1683 O CYS A 107 -4.827 -11.951 1.823 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.322 -9.920 1.759 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.841 -11.082 3.025 1.00 0.00 S ATOM 0 H CYS A 107 -7.937 -12.230 0.860 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.396 -10.011 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.728 -9.123 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.194 -9.450 1.304 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.104 -10.911 3.279 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.259 -9.970 1.029 1.00 0.00 N ATOM 1692 CA VAL A 108 -2.852 -10.032 1.499 1.00 0.00 C ATOM 1693 C VAL A 108 -2.582 -8.683 2.171 1.00 0.00 C ATOM 1694 O VAL A 108 -3.251 -7.714 1.867 1.00 0.00 O ATOM 1695 CB VAL A 108 -1.930 -10.255 0.288 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.037 -9.062 -0.673 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.465 -10.443 0.742 1.00 0.00 C ATOM 0 H VAL A 108 -4.491 -9.109 0.534 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.671 -10.849 2.197 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.246 -11.162 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.382 -9.225 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.067 -8.963 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.738 -8.150 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.169 -10.599 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.133 -9.553 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.396 -11.309 1.400 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.670 -8.591 3.113 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.460 -7.272 3.809 1.00 0.00 C ATOM 1709 C ILE A 109 -0.278 -6.493 3.209 1.00 0.00 C ATOM 1710 O ILE A 109 0.864 -6.898 3.262 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.226 -7.540 5.315 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.584 -6.296 6.138 1.00 0.00 C ATOM 1713 CG2 ILE A 109 0.238 -7.919 5.582 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.620 -6.672 7.621 1.00 0.00 C ATOM 0 H ILE A 109 -1.071 -9.354 3.427 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.348 -6.655 3.672 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.867 -8.371 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.851 -5.508 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.552 -5.904 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.378 -8.103 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.488 -8.820 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.888 -7.103 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.874 -5.793 8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.370 -7.447 7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.642 -7.045 7.926 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.568 -5.346 2.654 1.00 0.00 N ATOM 1727 CA TRP A 110 0.490 -4.475 2.060 1.00 0.00 C ATOM 1728 C TRP A 110 0.663 -3.264 2.987 1.00 0.00 C ATOM 1729 O TRP A 110 -0.277 -2.539 3.234 1.00 0.00 O ATOM 1730 CB TRP A 110 0.019 -4.020 0.670 1.00 0.00 C ATOM 1731 CG TRP A 110 1.180 -3.538 -0.147 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.768 -4.250 -1.137 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.899 -2.271 -0.076 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.798 -3.504 -1.675 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.925 -2.283 -1.052 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.769 -1.127 0.735 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.787 -1.202 -1.220 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.641 -0.038 0.567 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.647 -0.079 -0.407 1.00 0.00 C ATOM 0 H TRP A 110 -1.513 -4.968 2.586 1.00 0.00 H new ATOM 0 HA TRP A 110 1.438 -5.003 1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.475 -4.846 0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.717 -3.223 0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.478 -5.241 -1.455 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.393 -3.819 -2.441 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.996 -1.087 1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.559 -1.234 -1.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.535 0.836 1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.315 0.761 -0.528 1.00 0.00 H new ATOM 1750 N LYS A 111 1.838 -3.037 3.509 1.00 0.00 N ATOM 1751 CA LYS A 111 2.040 -1.871 4.428 1.00 0.00 C ATOM 1752 C LYS A 111 3.429 -1.300 4.232 1.00 0.00 C ATOM 1753 O LYS A 111 4.295 -1.380 5.078 1.00 0.00 O ATOM 1754 CB LYS A 111 1.830 -2.309 5.871 1.00 0.00 C ATOM 1755 CG LYS A 111 2.632 -3.567 6.168 1.00 0.00 C ATOM 1756 CD LYS A 111 2.272 -4.039 7.572 1.00 0.00 C ATOM 1757 CE LYS A 111 3.132 -5.241 7.934 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.912 -5.601 9.362 1.00 0.00 N ATOM 0 H LYS A 111 2.668 -3.606 3.341 1.00 0.00 H new ATOM 0 HA LYS A 111 1.312 -1.093 4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.132 -1.510 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.771 -2.495 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.407 -4.343 5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.700 -3.363 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.430 -3.235 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.216 -4.305 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.882 -6.086 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.184 -5.012 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.500 -6.423 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.172 -4.796 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.910 -5.836 9.510 1.00 0.00 H new ATOM 1772 N GLY A 112 3.627 -0.710 3.105 1.00 0.00 N ATOM 1773 CA GLY A 112 4.942 -0.107 2.795 1.00 0.00 C ATOM 1774 C GLY A 112 5.097 1.221 3.516 1.00 0.00 C ATOM 1775 O GLY A 112 4.126 1.882 3.832 1.00 0.00 O ATOM 0 H GLY A 112 2.926 -0.616 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.740 -0.786 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.037 0.042 1.719 1.00 0.00 H new ATOM 1779 N TRP A 113 6.315 1.643 3.742 1.00 0.00 N ATOM 1780 CA TRP A 113 6.543 2.953 4.405 1.00 0.00 C ATOM 1781 C TRP A 113 7.713 3.663 3.752 1.00 0.00 C ATOM 1782 O TRP A 113 8.518 3.072 3.062 1.00 0.00 O ATOM 1783 CB TRP A 113 6.809 2.770 5.906 1.00 0.00 C ATOM 1784 CG TRP A 113 7.914 1.800 6.146 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.754 0.467 6.320 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.339 2.065 6.258 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.997 -0.102 6.551 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.008 0.846 6.518 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.106 3.239 6.163 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.394 0.799 6.685 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.498 3.193 6.326 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.141 1.977 6.589 1.00 0.00 C ATOM 0 H TRP A 113 7.162 1.131 3.493 1.00 0.00 H new ATOM 0 HA TRP A 113 5.644 3.558 4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.063 3.731 6.352 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.902 2.420 6.398 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.815 -0.065 6.285 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.149 -1.096 6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.620 4.183 5.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.885 -0.141 6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.078 4.101 6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.213 1.949 6.718 1.00 0.00 H new ATOM 1803 N ILE A 114 7.796 4.941 3.959 1.00 0.00 N ATOM 1804 CA ILE A 114 8.891 5.734 3.357 1.00 0.00 C ATOM 1805 C ILE A 114 9.128 6.930 4.251 1.00 0.00 C ATOM 1806 O ILE A 114 8.205 7.493 4.806 1.00 0.00 O ATOM 1807 CB ILE A 114 8.499 6.221 1.948 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.053 6.757 1.932 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.626 5.079 0.934 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.593 6.972 0.475 1.00 0.00 C ATOM 0 H ILE A 114 7.141 5.477 4.529 1.00 0.00 H new ATOM 0 HA ILE A 114 9.788 5.122 3.267 1.00 0.00 H new ATOM 0 HB ILE A 114 9.178 7.028 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.389 6.053 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.997 7.696 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.346 5.439 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.656 4.724 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.966 4.261 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.571 7.351 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.250 7.693 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.632 6.025 -0.063 1.00 0.00 H new ATOM 1822 N ASP A 115 10.348 7.329 4.414 1.00 0.00 N ATOM 1823 CA ASP A 115 10.610 8.488 5.290 1.00 0.00 C ATOM 1824 C ASP A 115 10.128 9.758 4.594 1.00 0.00 C ATOM 1825 O ASP A 115 9.745 9.746 3.443 1.00 0.00 O ATOM 1826 CB ASP A 115 12.103 8.576 5.605 1.00 0.00 C ATOM 1827 CG ASP A 115 12.328 9.524 6.787 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.369 10.141 7.222 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.458 9.614 7.244 1.00 0.00 O ATOM 0 H ASP A 115 11.170 6.906 3.982 1.00 0.00 H new ATOM 0 HA ASP A 115 10.071 8.371 6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.493 7.586 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.648 8.933 4.731 1.00 0.00 H new ATOM 1834 N LEU A 116 10.097 10.838 5.306 1.00 0.00 N ATOM 1835 CA LEU A 116 9.597 12.113 4.730 1.00 0.00 C ATOM 1836 C LEU A 116 10.585 12.665 3.677 1.00 0.00 C ATOM 1837 O LEU A 116 10.220 13.481 2.856 1.00 0.00 O ATOM 1838 CB LEU A 116 9.417 13.116 5.887 1.00 0.00 C ATOM 1839 CG LEU A 116 8.363 14.193 5.534 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.940 14.916 6.822 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.922 15.210 4.507 1.00 0.00 C ATOM 0 H LEU A 116 10.401 10.897 6.278 1.00 0.00 H new ATOM 0 HA LEU A 116 8.646 11.947 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.111 12.585 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.371 13.595 6.108 1.00 0.00 H new ATOM 0 HG LEU A 116 7.500 13.707 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.197 15.677 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.512 14.196 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.811 15.388 7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.159 15.954 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.798 15.706 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.203 14.687 3.593 1.00 0.00 H new ATOM 1853 N HIS A 117 11.837 12.247 3.697 1.00 0.00 N ATOM 1854 CA HIS A 117 12.832 12.781 2.698 1.00 0.00 C ATOM 1855 C HIS A 117 13.185 11.745 1.609 1.00 0.00 C ATOM 1856 O HIS A 117 13.048 12.026 0.433 1.00 0.00 O ATOM 1857 CB HIS A 117 14.092 13.230 3.454 1.00 0.00 C ATOM 1858 CG HIS A 117 14.981 12.057 3.778 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.200 11.860 3.149 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.854 11.030 4.681 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.757 10.757 3.679 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.979 10.213 4.618 1.00 0.00 N ATOM 0 H HIS A 117 12.210 11.564 4.357 1.00 0.00 H new ATOM 0 HA HIS A 117 12.383 13.628 2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.643 13.952 2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.805 13.737 4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.011 10.880 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.716 10.360 3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 117 16.169 9.377 5.171 1.00 0.00 H new ATOM 1870 N ARG A 118 13.652 10.563 1.966 1.00 0.00 N ATOM 1871 CA ARG A 118 14.013 9.553 0.904 1.00 0.00 C ATOM 1872 C ARG A 118 12.833 8.606 0.641 1.00 0.00 C ATOM 1873 O ARG A 118 12.404 7.860 1.495 1.00 0.00 O ATOM 1874 CB ARG A 118 15.271 8.760 1.334 1.00 0.00 C ATOM 1875 CG ARG A 118 14.961 7.834 2.515 1.00 0.00 C ATOM 1876 CD ARG A 118 16.267 7.321 3.130 1.00 0.00 C ATOM 1877 NE ARG A 118 15.954 6.321 4.195 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.894 5.534 4.647 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.121 5.686 4.231 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.615 4.608 5.531 1.00 0.00 N ATOM 0 H ARG A 118 13.797 10.257 2.928 1.00 0.00 H new ATOM 0 HA ARG A 118 14.236 10.080 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.639 8.172 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 118 16.065 9.453 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.381 8.370 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.352 6.994 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.890 6.866 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.835 8.151 3.550 1.00 0.00 H new ATOM 0 HE ARG A 118 15.007 6.253 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.344 6.417 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.858 5.074 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.659 4.498 5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.353 3.997 5.880 1.00 0.00 H new ATOM 1894 N LEU A 119 12.299 8.652 -0.555 1.00 0.00 N ATOM 1895 CA LEU A 119 11.144 7.776 -0.918 1.00 0.00 C ATOM 1896 C LEU A 119 11.633 6.405 -1.405 1.00 0.00 C ATOM 1897 O LEU A 119 11.136 5.886 -2.379 1.00 0.00 O ATOM 1898 CB LEU A 119 10.338 8.426 -2.042 1.00 0.00 C ATOM 1899 CG LEU A 119 10.010 9.884 -1.701 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.967 10.391 -2.695 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.460 9.991 -0.271 1.00 0.00 C ATOM 0 H LEU A 119 12.619 9.267 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 119 10.525 7.646 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.903 8.383 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.415 7.869 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 119 10.916 10.486 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.721 11.428 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.367 10.327 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.067 9.780 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.233 11.033 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.552 9.394 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.205 9.622 0.434 1.00 0.00 H new ATOM 1913 N ASP A 120 12.606 5.820 -0.750 1.00 0.00 N ATOM 1914 CA ASP A 120 13.131 4.476 -1.188 1.00 0.00 C ATOM 1915 C ASP A 120 13.089 3.521 0.007 1.00 0.00 C ATOM 1916 O ASP A 120 14.020 2.785 0.271 1.00 0.00 O ATOM 1917 CB ASP A 120 14.571 4.628 -1.692 1.00 0.00 C ATOM 1918 CG ASP A 120 15.482 5.126 -0.563 1.00 0.00 C ATOM 1919 OD1 ASP A 120 15.024 5.188 0.566 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.625 5.442 -0.852 1.00 0.00 O ATOM 0 H ASP A 120 13.065 6.212 0.073 1.00 0.00 H new ATOM 0 HA ASP A 120 12.518 4.077 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.935 3.671 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.599 5.329 -2.527 1.00 0.00 H new ATOM 1925 N GLY A 121 12.008 3.561 0.731 1.00 0.00 N ATOM 1926 CA GLY A 121 11.841 2.698 1.934 1.00 0.00 C ATOM 1927 C GLY A 121 11.780 1.227 1.550 1.00 0.00 C ATOM 1928 O GLY A 121 12.342 0.789 0.568 1.00 0.00 O ATOM 0 H GLY A 121 11.214 4.170 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.670 2.863 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.929 2.977 2.462 1.00 0.00 H new ATOM 1932 N MET A 122 11.066 0.466 2.329 1.00 0.00 N ATOM 1933 CA MET A 122 10.909 -0.986 2.054 1.00 0.00 C ATOM 1934 C MET A 122 9.518 -1.393 2.523 1.00 0.00 C ATOM 1935 O MET A 122 8.877 -0.678 3.271 1.00 0.00 O ATOM 1936 CB MET A 122 11.979 -1.774 2.812 1.00 0.00 C ATOM 1937 CG MET A 122 11.758 -1.613 4.311 1.00 0.00 C ATOM 1938 SD MET A 122 13.170 -2.308 5.201 1.00 0.00 S ATOM 1939 CE MET A 122 12.905 -4.043 4.743 1.00 0.00 C ATOM 0 H MET A 122 10.576 0.796 3.160 1.00 0.00 H new ATOM 0 HA MET A 122 11.025 -1.196 0.991 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.933 -2.828 2.537 1.00 0.00 H new ATOM 0 HB3 MET A 122 12.972 -1.416 2.539 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.639 -0.559 4.561 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.840 -2.118 4.611 1.00 0.00 H new ATOM 0 HE1 MET A 122 13.385 -4.690 5.477 1.00 0.00 H new ATOM 0 HE2 MET A 122 11.836 -4.253 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 122 13.335 -4.229 3.759 1.00 0.00 H new ATOM 1949 N GLY A 123 9.028 -2.519 2.100 1.00 0.00 N ATOM 1950 CA GLY A 123 7.664 -2.930 2.533 1.00 0.00 C ATOM 1951 C GLY A 123 7.511 -4.445 2.429 1.00 0.00 C ATOM 1952 O GLY A 123 7.656 -5.026 1.372 1.00 0.00 O ATOM 0 H GLY A 123 9.506 -3.170 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.489 -2.609 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.914 -2.438 1.913 1.00 0.00 H new ATOM 1956 N CYS A 124 7.219 -5.087 3.529 1.00 0.00 N ATOM 1957 CA CYS A 124 7.042 -6.571 3.516 1.00 0.00 C ATOM 1958 C CYS A 124 5.600 -6.913 3.134 1.00 0.00 C ATOM 1959 O CYS A 124 4.657 -6.338 3.639 1.00 0.00 O ATOM 1960 CB CYS A 124 7.356 -7.153 4.896 1.00 0.00 C ATOM 1961 SG CYS A 124 7.449 -8.960 4.791 1.00 0.00 S ATOM 0 H CYS A 124 7.095 -4.646 4.440 1.00 0.00 H new ATOM 0 HA CYS A 124 7.726 -7.001 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.300 -6.752 5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.585 -6.860 5.609 1.00 0.00 H new ATOM 0 HG CYS A 124 6.702 -9.487 5.715 1.00 0.00 H new ATOM 1967 N LEU A 125 5.430 -7.858 2.247 1.00 0.00 N ATOM 1968 CA LEU A 125 4.049 -8.271 1.812 1.00 0.00 C ATOM 1969 C LEU A 125 3.853 -9.739 2.186 1.00 0.00 C ATOM 1970 O LEU A 125 4.722 -10.564 1.987 1.00 0.00 O ATOM 1971 CB LEU A 125 3.946 -8.050 0.301 1.00 0.00 C ATOM 1972 CG LEU A 125 2.613 -8.543 -0.268 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.454 -7.723 0.320 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.644 -8.370 -1.799 1.00 0.00 C ATOM 0 H LEU A 125 6.190 -8.369 1.798 1.00 0.00 H new ATOM 0 HA LEU A 125 3.270 -7.686 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.062 -6.988 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.765 -8.569 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 125 2.465 -9.591 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.510 -8.081 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.443 -7.834 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.586 -6.672 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.702 -8.716 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.787 -7.317 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.465 -8.954 -2.215 1.00 0.00 H new ATOM 1986 N GLU A 126 2.738 -10.059 2.790 1.00 0.00 N ATOM 1987 CA GLU A 126 2.514 -11.474 3.237 1.00 0.00 C ATOM 1988 C GLU A 126 1.027 -11.835 3.230 1.00 0.00 C ATOM 1989 O GLU A 126 0.190 -11.108 3.730 1.00 0.00 O ATOM 1990 CB GLU A 126 3.029 -11.632 4.674 1.00 0.00 C ATOM 1991 CG GLU A 126 4.526 -11.312 4.738 1.00 0.00 C ATOM 1992 CD GLU A 126 5.068 -11.665 6.122 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.280 -12.056 6.964 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.264 -11.533 6.320 1.00 0.00 O ATOM 0 H GLU A 126 1.977 -9.411 2.993 1.00 0.00 H new ATOM 0 HA GLU A 126 3.044 -12.131 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.479 -10.968 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.852 -12.650 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.061 -11.874 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.691 -10.255 4.531 1.00 0.00 H new ATOM 2001 N PHE A 127 0.705 -12.987 2.711 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.712 -13.451 2.711 1.00 0.00 C ATOM 2003 C PHE A 127 -1.054 -13.968 4.123 1.00 0.00 C ATOM 2004 O PHE A 127 -0.904 -15.141 4.402 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.847 -14.585 1.662 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.599 -14.117 0.432 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.925 -13.525 -0.650 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.983 -14.304 0.370 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.645 -13.120 -1.783 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.696 -13.900 -0.757 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.029 -13.308 -1.836 1.00 0.00 C ATOM 0 H PHE A 127 1.368 -13.633 2.283 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.398 -12.643 2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.144 -14.934 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.367 -15.434 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.145 -13.382 -0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.502 -14.763 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.130 -12.663 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.766 -14.044 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.584 -12.997 -2.709 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.520 -13.118 5.020 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.867 -13.598 6.409 1.00 0.00 C ATOM 2023 C ASP A 128 -3.136 -12.905 6.915 1.00 0.00 C ATOM 2024 O ASP A 128 -3.417 -12.889 8.099 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.717 -13.279 7.374 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.972 -13.971 8.717 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.980 -14.655 8.827 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.164 -13.796 9.613 1.00 0.00 O ATOM 0 H ASP A 128 -1.674 -12.123 4.854 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.033 -14.674 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.230 -13.616 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.636 -12.201 7.517 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.884 -12.322 6.032 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.129 -11.604 6.442 1.00 0.00 C ATOM 2035 C GLU A 129 -6.207 -12.577 6.973 1.00 0.00 C ATOM 2036 O GLU A 129 -6.756 -13.410 6.262 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.644 -10.813 5.230 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.798 -9.554 5.029 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.068 -8.570 6.171 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.022 -8.786 6.893 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.318 -7.623 6.301 1.00 0.00 O ATOM 0 H GLU A 129 -3.690 -12.308 5.031 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.901 -10.925 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.604 -11.435 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.688 -10.539 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.740 -9.814 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.037 -9.091 4.072 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.537 -12.444 8.230 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.583 -13.316 8.824 1.00 0.00 C ATOM 2050 C GLU A 130 -8.888 -13.093 8.069 1.00 0.00 C ATOM 2051 O GLU A 130 -9.705 -13.987 7.909 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.743 -12.973 10.308 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.336 -11.570 10.458 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.241 -11.127 11.922 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -7.646 -11.850 12.700 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.758 -10.065 12.235 1.00 0.00 O ATOM 0 H GLU A 130 -6.124 -11.766 8.870 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.301 -14.366 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.391 -13.704 10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.776 -13.024 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.801 -10.868 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.376 -11.567 10.133 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.080 -11.912 7.558 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.306 -11.659 6.772 1.00 0.00 C ATOM 2065 C ARG A 131 -10.176 -12.464 5.476 1.00 0.00 C ATOM 2066 O ARG A 131 -11.116 -12.624 4.724 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.495 -10.158 6.482 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.181 -9.525 6.037 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.328 -8.004 5.972 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.544 -7.628 5.169 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.671 -7.961 3.915 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.697 -8.566 3.292 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -11.770 -7.656 3.274 1.00 0.00 N ATOM 0 H ARG A 131 -8.445 -11.120 7.651 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.188 -11.968 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.250 -10.025 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.863 -9.654 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.385 -9.792 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.894 -9.913 5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.410 -7.597 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.437 -7.565 5.522 1.00 0.00 H new ATOM 0 HE ARG A 131 -11.290 -7.097 5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -8.831 -8.781 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.802 -8.824 2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.521 -7.161 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -11.876 -7.913 2.293 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.003 -13.003 5.229 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.803 -13.835 4.007 1.00 0.00 C ATOM 2089 C ALA A 132 -9.589 -15.115 4.158 1.00 0.00 C ATOM 2090 O ALA A 132 -10.297 -15.524 3.266 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.323 -14.194 3.822 1.00 0.00 C ATOM 0 H ALA A 132 -8.180 -12.900 5.822 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.139 -13.266 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.205 -14.801 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.737 -13.281 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.974 -14.756 4.688 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.473 -15.768 5.269 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.240 -17.041 5.401 1.00 0.00 C ATOM 2099 C GLN A 133 -11.760 -16.762 5.350 1.00 0.00 C ATOM 2100 O GLN A 133 -12.508 -17.500 4.729 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.857 -17.767 6.697 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.720 -16.769 7.843 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.534 -17.534 9.152 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.686 -18.399 9.250 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.309 -17.261 10.161 1.00 0.00 N ATOM 0 H GLN A 133 -8.904 -15.496 6.070 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.986 -17.690 4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.615 -18.511 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.918 -18.302 6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.869 -16.110 7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.606 -16.137 7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.020 -16.535 10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.206 -17.773 11.037 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.233 -15.706 5.975 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.710 -15.430 5.926 1.00 0.00 C ATOM 2116 C GLN A 134 -14.115 -14.837 4.563 1.00 0.00 C ATOM 2117 O GLN A 134 -15.103 -15.235 3.974 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.102 -14.463 7.066 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.853 -13.007 6.658 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.930 -12.107 7.892 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.501 -12.487 8.960 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.457 -10.919 7.784 1.00 0.00 N ATOM 0 H GLN A 134 -11.676 -15.036 6.506 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.241 -16.373 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.154 -14.599 7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.526 -14.698 7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.874 -12.913 6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.592 -12.694 5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.818 -10.601 6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.509 -10.308 8.599 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.379 -13.870 4.067 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.761 -13.248 2.764 1.00 0.00 C ATOM 2133 C GLU A 135 -13.687 -14.280 1.648 1.00 0.00 C ATOM 2134 O GLU A 135 -14.441 -14.223 0.696 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.841 -12.047 2.454 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.489 -12.506 1.860 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.559 -12.524 0.325 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.628 -12.781 -0.196 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -10.542 -12.269 -0.296 1.00 0.00 O ATOM 0 H GLU A 135 -12.540 -13.490 4.504 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.787 -12.887 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.339 -11.378 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.664 -11.478 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.694 -11.835 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.240 -13.500 2.231 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.794 -15.223 1.746 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.707 -16.240 0.668 1.00 0.00 C ATOM 2148 C ASP A 136 -14.016 -17.022 0.623 1.00 0.00 C ATOM 2149 O ASP A 136 -14.540 -17.317 -0.430 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.549 -17.203 0.928 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.205 -17.920 -0.376 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.090 -18.045 -1.211 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.066 -18.322 -0.527 1.00 0.00 O ATOM 0 H ASP A 136 -12.131 -15.332 2.513 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.532 -15.738 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.681 -16.658 1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.824 -17.926 1.696 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.561 -17.352 1.757 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.851 -18.097 1.751 1.00 0.00 C ATOM 2160 C ALA A 137 -16.910 -17.208 1.075 1.00 0.00 C ATOM 2161 O ALA A 137 -17.727 -17.675 0.305 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.254 -18.416 3.194 1.00 0.00 C ATOM 0 H ALA A 137 -14.177 -17.142 2.678 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.759 -19.035 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.198 -18.961 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.481 -19.026 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.370 -17.488 3.753 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.882 -15.924 1.351 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.861 -14.981 0.718 1.00 0.00 C ATOM 2170 C LEU A 138 -17.404 -14.624 -0.704 1.00 0.00 C ATOM 2171 O LEU A 138 -18.149 -14.058 -1.479 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.938 -13.704 1.559 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.401 -14.048 2.976 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.355 -12.786 3.836 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.839 -14.609 2.939 1.00 0.00 C ATOM 0 H LEU A 138 -16.219 -15.487 1.991 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.840 -15.457 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.962 -13.219 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.630 -12.997 1.101 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.742 -14.805 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.684 -13.023 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.335 -12.403 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.014 -12.030 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.161 -14.851 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.510 -13.863 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.863 -15.510 2.325 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.185 -14.939 -1.051 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.684 -14.610 -2.419 1.00 0.00 C ATOM 2189 C ALA A 139 -16.497 -15.375 -3.476 1.00 0.00 C ATOM 2190 O ALA A 139 -16.568 -14.982 -4.621 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.206 -14.994 -2.529 1.00 0.00 C ATOM 0 H ALA A 139 -15.513 -15.411 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.796 -13.540 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.841 -14.754 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.630 -14.439 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.093 -16.063 -2.349 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.107 -16.471 -3.099 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.900 -17.269 -4.065 1.00 0.00 C ATOM 2199 C GLN A 140 -19.212 -16.564 -4.382 1.00 0.00 C ATOM 2200 O GLN A 140 -19.823 -15.944 -3.536 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.207 -18.626 -3.438 1.00 0.00 C ATOM 2202 CG GLN A 140 -18.879 -19.520 -4.473 1.00 0.00 C ATOM 2203 CD GLN A 140 -19.225 -20.870 -3.841 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.775 -21.178 -2.755 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -20.026 -21.690 -4.470 1.00 0.00 N ATOM 0 H GLN A 140 -17.085 -16.846 -2.151 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.330 -17.390 -4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -17.288 -19.091 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.857 -18.500 -2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -19.783 -19.041 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -18.217 -19.666 -5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -20.405 -21.434 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -20.272 -22.586 -4.049 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.658 -16.674 -5.604 1.00 0.00 N ATOM 2215 CA GLN A 141 -20.943 -16.033 -5.998 1.00 0.00 C ATOM 2216 C GLN A 141 -22.079 -17.039 -5.802 1.00 0.00 C ATOM 2217 O GLN A 141 -22.116 -18.015 -6.537 1.00 0.00 O ATOM 2218 CB GLN A 141 -20.870 -15.615 -7.470 1.00 0.00 C ATOM 2219 CG GLN A 141 -22.078 -14.743 -7.805 1.00 0.00 C ATOM 2220 CD GLN A 141 -22.079 -14.418 -9.299 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.321 -14.985 -10.055 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -22.902 -13.515 -9.759 1.00 0.00 N ATOM 2223 OXT GLN A 141 -22.888 -16.824 -4.914 1.00 0.00 O ATOM 0 H GLN A 141 -19.184 -17.183 -6.350 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.125 -15.151 -5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -19.947 -15.067 -7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.854 -16.497 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -22.999 -15.260 -7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -22.047 -13.822 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -23.541 -13.037 -9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.906 -13.288 -10.753 1.00 0.00 H new TER 2232 GLN A 141