USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 872 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 71 SER OG : rot -71:sc= 1.11 USER MOD Set 1.2: A 88 ASN : amide:sc= -1.92! C(o=-0.81!,f=-2.6!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.41) USER MOD Set 3.1: A 32 HIS : no HD1:sc= -1.07 X(o=-1.2,f=-0.93) USER MOD Set 3.2: A 34 SER OG : rot 180:sc= -0.114 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0585 (180deg=-0.672) USER MOD Single : A 4 GLN : amide:sc= -0.0061 K(o=-0.0061,f=-1.6!) USER MOD Single : A 6 THR OG1 : rot -140:sc= -0.17 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.58! C(o=-1.6!,f=-6.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.556 K(o=-0.56,f=-4.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.3!) USER MOD Single : A 30 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.43) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 85:sc= -4.96! USER MOD Single : A 37 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.66) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 49 LYS NZ :NH3+ -123:sc= 0.11 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= 1.24 K(o=1.2,f=-0.84) USER MOD Single : A 66 SER OG : rot -140:sc= -0.572 USER MOD Single : A 67 TYR OH : rot -30:sc= -1.04 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0115 K(o=-0.012,f=-1.3!) USER MOD Single : A 84 GLN : amide:sc= 0.5 K(o=0.5,f=-3.3!) USER MOD Single : A 86 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 54:sc= 0.158 USER MOD Single : A 90 SER OG : rot 180:sc= -0.255 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.29) USER MOD Single : A 106 HIS : no HE2:sc= 0.621 K(o=0.62,f=-2.6!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 109 HIS : no HD1:sc= -1.55! C(o=-1.6!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.758 4.888 -11.261 1.00 0.00 N ATOM 2 CA MET A 1 -16.578 6.365 -11.215 1.00 0.00 C ATOM 3 C MET A 1 -15.274 6.693 -10.486 1.00 0.00 C ATOM 4 O MET A 1 -15.270 7.027 -9.318 1.00 0.00 O ATOM 5 CB MET A 1 -17.762 7.000 -10.483 1.00 0.00 C ATOM 6 CG MET A 1 -19.050 6.738 -11.274 1.00 0.00 C ATOM 7 SD MET A 1 -18.984 7.585 -12.875 1.00 0.00 S ATOM 8 CE MET A 1 -19.585 9.201 -12.319 1.00 0.00 C ATOM 0 H1 MET A 1 -17.374 4.638 -12.061 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.832 4.429 -11.380 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.194 4.564 -10.374 1.00 0.00 H new ATOM 0 HA MET A 1 -16.532 6.763 -12.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.848 6.585 -9.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.602 8.072 -10.372 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.180 5.667 -11.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.912 7.086 -10.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.622 9.886 -13.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.584 9.092 -11.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.911 9.598 -11.560 1.00 0.00 H new ATOM 20 N GLU A 2 -14.173 6.594 -11.184 1.00 0.00 N ATOM 21 CA GLU A 2 -12.837 6.890 -10.585 1.00 0.00 C ATOM 22 C GLU A 2 -12.592 5.997 -9.354 1.00 0.00 C ATOM 23 O GLU A 2 -13.517 5.617 -8.663 1.00 0.00 O ATOM 24 CB GLU A 2 -12.762 8.371 -10.183 1.00 0.00 C ATOM 25 CG GLU A 2 -12.534 9.230 -11.430 1.00 0.00 C ATOM 26 CD GLU A 2 -13.728 9.081 -12.374 1.00 0.00 C ATOM 27 OE1 GLU A 2 -13.713 8.161 -13.175 1.00 0.00 O ATOM 28 OE2 GLU A 2 -14.636 9.888 -12.279 1.00 0.00 O ATOM 0 H GLU A 2 -14.143 6.315 -12.165 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.066 6.681 -11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.685 8.671 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.952 8.524 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.408 10.275 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.617 8.923 -11.934 1.00 0.00 H new ATOM 35 N PRO A 3 -11.350 5.658 -9.081 1.00 0.00 N ATOM 36 CA PRO A 3 -10.986 4.793 -7.916 1.00 0.00 C ATOM 37 C PRO A 3 -11.181 5.503 -6.570 1.00 0.00 C ATOM 38 O PRO A 3 -11.070 6.708 -6.468 1.00 0.00 O ATOM 39 CB PRO A 3 -9.505 4.463 -8.161 1.00 0.00 C ATOM 40 CG PRO A 3 -8.987 5.614 -8.958 1.00 0.00 C ATOM 41 CD PRO A 3 -10.150 6.061 -9.845 1.00 0.00 C ATOM 0 HA PRO A 3 -11.621 3.909 -7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.963 4.356 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.393 3.524 -8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.657 6.424 -8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.127 5.318 -9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.129 7.137 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.117 5.579 -10.822 1.00 0.00 H new ATOM 49 N GLN A 4 -11.465 4.756 -5.537 1.00 0.00 N ATOM 50 CA GLN A 4 -11.665 5.374 -4.196 1.00 0.00 C ATOM 51 C GLN A 4 -10.306 5.494 -3.504 1.00 0.00 C ATOM 52 O GLN A 4 -9.932 4.674 -2.691 1.00 0.00 O ATOM 53 CB GLN A 4 -12.597 4.480 -3.374 1.00 0.00 C ATOM 54 CG GLN A 4 -12.857 5.124 -2.012 1.00 0.00 C ATOM 55 CD GLN A 4 -13.855 4.271 -1.228 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.561 3.461 -1.796 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.943 4.419 0.065 1.00 0.00 N ATOM 0 H GLN A 4 -11.567 3.742 -5.565 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.110 6.364 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.538 4.334 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.149 3.495 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.924 5.214 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.249 6.133 -2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.351 5.099 0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.604 3.855 0.599 1.00 0.00 H new ATOM 66 N LEU A 5 -9.560 6.512 -3.842 1.00 0.00 N ATOM 67 CA LEU A 5 -8.212 6.703 -3.237 1.00 0.00 C ATOM 68 C LEU A 5 -8.344 7.240 -1.815 1.00 0.00 C ATOM 69 O LEU A 5 -9.248 7.990 -1.505 1.00 0.00 O ATOM 70 CB LEU A 5 -7.426 7.705 -4.086 1.00 0.00 C ATOM 71 CG LEU A 5 -7.364 7.210 -5.537 1.00 0.00 C ATOM 72 CD1 LEU A 5 -6.616 8.236 -6.393 1.00 0.00 C ATOM 73 CD2 LEU A 5 -6.640 5.853 -5.600 1.00 0.00 C ATOM 0 H LEU A 5 -9.831 7.226 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.691 5.746 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.902 8.685 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.418 7.823 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.378 7.087 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.571 7.886 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.140 9.191 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.604 8.362 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.601 5.509 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.626 5.963 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.180 5.124 -4.996 1.00 0.00 H new ATOM 85 N THR A 6 -7.437 6.858 -0.947 1.00 0.00 N ATOM 86 CA THR A 6 -7.476 7.334 0.471 1.00 0.00 C ATOM 87 C THR A 6 -6.153 8.019 0.810 1.00 0.00 C ATOM 88 O THR A 6 -5.086 7.495 0.554 1.00 0.00 O ATOM 89 CB THR A 6 -7.692 6.136 1.395 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.940 5.533 1.090 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.689 6.606 2.851 1.00 0.00 C ATOM 0 H THR A 6 -6.663 6.230 -1.164 1.00 0.00 H new ATOM 0 HA THR A 6 -8.292 8.045 0.603 1.00 0.00 H new ATOM 0 HB THR A 6 -6.891 5.411 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.384 5.263 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.843 5.751 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.731 7.073 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.491 7.329 3.002 1.00 0.00 H new ATOM 99 N LYS A 7 -6.217 9.194 1.368 1.00 0.00 N ATOM 100 CA LYS A 7 -4.972 9.935 1.710 1.00 0.00 C ATOM 101 C LYS A 7 -4.375 9.398 3.013 1.00 0.00 C ATOM 102 O LYS A 7 -5.062 8.843 3.848 1.00 0.00 O ATOM 103 CB LYS A 7 -5.301 11.418 1.873 1.00 0.00 C ATOM 104 CG LYS A 7 -5.749 11.990 0.526 1.00 0.00 C ATOM 105 CD LYS A 7 -6.106 13.468 0.690 1.00 0.00 C ATOM 106 CE LYS A 7 -6.540 14.040 -0.661 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.890 15.480 -0.502 1.00 0.00 N ATOM 0 H LYS A 7 -7.084 9.677 1.604 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.245 9.801 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.088 11.548 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.427 11.958 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.954 11.877 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.611 11.436 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.908 13.581 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.248 14.020 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.737 13.928 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.397 13.486 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.185 15.869 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.669 15.575 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.060 16.003 -0.155 1.00 0.00 H new ATOM 121 N ILE A 8 -3.092 9.566 3.184 1.00 0.00 N ATOM 122 CA ILE A 8 -2.415 9.081 4.418 1.00 0.00 C ATOM 123 C ILE A 8 -2.968 9.826 5.636 1.00 0.00 C ATOM 124 O ILE A 8 -3.226 9.242 6.669 1.00 0.00 O ATOM 125 CB ILE A 8 -0.906 9.336 4.289 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.311 8.407 3.214 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.215 9.065 5.629 1.00 0.00 C ATOM 128 CD1 ILE A 8 -0.705 8.877 1.807 1.00 0.00 C ATOM 0 H ILE A 8 -2.477 10.025 2.512 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.597 8.014 4.546 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.746 10.375 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.775 8.388 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.662 7.388 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.855 9.248 5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.627 9.726 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.380 8.028 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.273 8.205 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.791 8.872 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.331 9.888 1.643 1.00 0.00 H new ATOM 140 N VAL A 9 -3.143 11.113 5.524 1.00 0.00 N ATOM 141 CA VAL A 9 -3.671 11.901 6.672 1.00 0.00 C ATOM 142 C VAL A 9 -5.121 11.494 6.948 1.00 0.00 C ATOM 143 O VAL A 9 -5.639 11.700 8.026 1.00 0.00 O ATOM 144 CB VAL A 9 -3.591 13.392 6.341 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.526 13.714 5.176 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.000 14.210 7.567 1.00 0.00 C ATOM 0 H VAL A 9 -2.942 11.655 4.684 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.075 11.702 7.563 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.568 13.644 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.465 14.777 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.231 13.134 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.550 13.460 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.943 15.273 7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.021 13.955 7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.328 13.986 8.395 1.00 0.00 H new ATOM 156 N ASP A 10 -5.776 10.911 5.980 1.00 0.00 N ATOM 157 CA ASP A 10 -7.187 10.480 6.180 1.00 0.00 C ATOM 158 C ASP A 10 -7.210 9.121 6.881 1.00 0.00 C ATOM 159 O ASP A 10 -8.259 8.580 7.167 1.00 0.00 O ATOM 160 CB ASP A 10 -7.878 10.363 4.821 1.00 0.00 C ATOM 161 CG ASP A 10 -8.095 11.760 4.235 1.00 0.00 C ATOM 162 OD1 ASP A 10 -7.960 12.720 4.977 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.391 11.845 3.055 1.00 0.00 O ATOM 0 H ASP A 10 -5.391 10.715 5.056 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.709 11.214 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.271 9.763 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.834 9.851 4.930 1.00 0.00 H new ATOM 168 N ILE A 11 -6.061 8.563 7.156 1.00 0.00 N ATOM 169 CA ILE A 11 -6.022 7.237 7.837 1.00 0.00 C ATOM 170 C ILE A 11 -6.149 7.434 9.349 1.00 0.00 C ATOM 171 O ILE A 11 -5.264 7.956 9.998 1.00 0.00 O ATOM 172 CB ILE A 11 -4.697 6.540 7.514 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.653 6.211 6.018 1.00 0.00 C ATOM 174 CG2 ILE A 11 -4.581 5.249 8.328 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.259 5.707 5.634 1.00 0.00 C ATOM 0 H ILE A 11 -5.150 8.967 6.939 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.850 6.621 7.486 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.867 7.198 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.401 5.454 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.902 7.098 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.637 4.756 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.615 5.485 9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.408 4.585 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.236 5.475 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.520 6.478 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.027 4.808 6.206 1.00 0.00 H new ATOM 187 N VAL A 12 -7.249 7.013 9.910 1.00 0.00 N ATOM 188 CA VAL A 12 -7.456 7.159 11.379 1.00 0.00 C ATOM 189 C VAL A 12 -8.436 6.081 11.847 1.00 0.00 C ATOM 190 O VAL A 12 -9.018 6.181 12.907 1.00 0.00 O ATOM 191 CB VAL A 12 -8.026 8.549 11.696 1.00 0.00 C ATOM 192 CG1 VAL A 12 -6.982 9.620 11.371 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.293 8.800 10.864 1.00 0.00 C ATOM 0 H VAL A 12 -8.020 6.570 9.410 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.503 7.047 11.896 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.278 8.596 12.755 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.389 10.606 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.088 9.451 11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.724 9.568 10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.690 9.788 11.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.048 8.747 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.041 8.043 11.102 1.00 0.00 H new ATOM 203 N GLU A 13 -8.619 5.046 11.057 1.00 0.00 N ATOM 204 CA GLU A 13 -9.562 3.946 11.439 1.00 0.00 C ATOM 205 C GLU A 13 -8.915 2.585 11.179 1.00 0.00 C ATOM 206 O GLU A 13 -8.173 2.406 10.232 1.00 0.00 O ATOM 207 CB GLU A 13 -10.845 4.066 10.613 1.00 0.00 C ATOM 208 CG GLU A 13 -11.627 5.294 11.072 1.00 0.00 C ATOM 209 CD GLU A 13 -12.902 5.431 10.238 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.836 6.046 9.187 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.922 4.919 10.667 1.00 0.00 O ATOM 0 H GLU A 13 -8.152 4.917 10.159 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.798 4.031 12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.603 4.150 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.452 3.169 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.879 5.203 12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.013 6.189 10.967 1.00 0.00 H new ATOM 218 N ASN A 14 -9.189 1.624 12.024 1.00 0.00 N ATOM 219 CA ASN A 14 -8.591 0.265 11.849 1.00 0.00 C ATOM 220 C ASN A 14 -9.538 -0.632 11.045 1.00 0.00 C ATOM 221 O ASN A 14 -10.736 -0.636 11.252 1.00 0.00 O ATOM 222 CB ASN A 14 -8.332 -0.355 13.224 1.00 0.00 C ATOM 223 CG ASN A 14 -9.656 -0.620 13.942 1.00 0.00 C ATOM 224 OD1 ASN A 14 -10.684 -0.096 13.563 1.00 0.00 O ATOM 225 ND2 ASN A 14 -9.671 -1.421 14.972 1.00 0.00 N ATOM 0 H ASN A 14 -9.804 1.722 12.832 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.651 0.355 11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.778 -1.287 13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.713 0.314 13.822 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.547 -1.608 15.460 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.807 -1.860 15.289 1.00 0.00 H new ATOM 232 N GLY A 15 -9.001 -1.394 10.128 1.00 0.00 N ATOM 233 CA GLY A 15 -9.853 -2.298 9.304 1.00 0.00 C ATOM 234 C GLY A 15 -10.501 -1.493 8.178 1.00 0.00 C ATOM 235 O GLY A 15 -11.484 -1.904 7.597 1.00 0.00 O ATOM 0 H GLY A 15 -8.004 -1.428 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.251 -3.106 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.621 -2.759 9.925 1.00 0.00 H new ATOM 239 N GLN A 16 -9.962 -0.345 7.870 1.00 0.00 N ATOM 240 CA GLN A 16 -10.556 0.489 6.788 1.00 0.00 C ATOM 241 C GLN A 16 -10.249 -0.133 5.427 1.00 0.00 C ATOM 242 O GLN A 16 -9.130 -0.518 5.149 1.00 0.00 O ATOM 243 CB GLN A 16 -9.969 1.900 6.848 1.00 0.00 C ATOM 244 CG GLN A 16 -10.662 2.783 5.807 1.00 0.00 C ATOM 245 CD GLN A 16 -10.110 4.206 5.891 1.00 0.00 C ATOM 246 OE1 GLN A 16 -8.937 4.429 5.677 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.916 5.185 6.199 1.00 0.00 N ATOM 0 H GLN A 16 -9.137 0.051 8.321 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.636 0.538 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.104 2.320 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.896 1.868 6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.501 2.378 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.738 2.789 5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.902 4.996 6.379 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.560 6.139 6.260 1.00 0.00 H new ATOM 256 N TRP A 17 -11.238 -0.228 4.574 1.00 0.00 N ATOM 257 CA TRP A 17 -11.027 -0.819 3.217 1.00 0.00 C ATOM 258 C TRP A 17 -11.047 0.288 2.166 1.00 0.00 C ATOM 259 O TRP A 17 -11.942 1.108 2.136 1.00 0.00 O ATOM 260 CB TRP A 17 -12.154 -1.810 2.933 1.00 0.00 C ATOM 261 CG TRP A 17 -11.991 -2.995 3.825 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.498 -3.104 5.073 1.00 0.00 C ATOM 263 CD2 TRP A 17 -11.273 -4.235 3.564 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.139 -4.332 5.596 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.384 -5.066 4.703 1.00 0.00 C ATOM 266 CE3 TRP A 17 -10.545 -4.714 2.460 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.793 -6.329 4.746 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.949 -5.986 2.499 1.00 0.00 C ATOM 269 CH2 TRP A 17 -10.073 -6.792 3.641 1.00 0.00 C ATOM 0 H TRP A 17 -12.192 0.082 4.762 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.064 -1.328 3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -13.122 -1.339 3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -12.130 -2.119 1.888 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.088 -2.354 5.579 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.400 -4.656 6.527 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.443 -4.101 1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.891 -6.945 5.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.393 -6.345 1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.613 -7.769 3.666 1.00 0.00 H new ATOM 280 N ALA A 18 -10.072 0.312 1.297 1.00 0.00 N ATOM 281 CA ALA A 18 -10.041 1.364 0.240 1.00 0.00 C ATOM 282 C ALA A 18 -8.784 1.197 -0.617 1.00 0.00 C ATOM 283 O ALA A 18 -8.043 0.245 -0.476 1.00 0.00 O ATOM 284 CB ALA A 18 -10.040 2.756 0.886 1.00 0.00 C ATOM 0 H ALA A 18 -9.297 -0.350 1.273 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.925 1.262 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.017 3.518 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.941 2.879 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.161 2.861 1.522 1.00 0.00 H new ATOM 290 N ASN A 19 -8.545 2.124 -1.508 1.00 0.00 N ATOM 291 CA ASN A 19 -7.344 2.042 -2.393 1.00 0.00 C ATOM 292 C ASN A 19 -6.242 2.940 -1.837 1.00 0.00 C ATOM 293 O ASN A 19 -6.514 3.921 -1.170 1.00 0.00 O ATOM 294 CB ASN A 19 -7.718 2.529 -3.790 1.00 0.00 C ATOM 295 CG ASN A 19 -8.715 1.555 -4.415 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.958 0.493 -3.881 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.305 1.875 -5.532 1.00 0.00 N ATOM 0 H ASN A 19 -9.135 2.941 -1.662 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.994 1.011 -2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.153 3.527 -3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.826 2.604 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.972 1.232 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.100 2.768 -5.980 1.00 0.00 H new ATOM 304 N LEU A 20 -4.999 2.619 -2.105 1.00 0.00 N ATOM 305 CA LEU A 20 -3.878 3.464 -1.587 1.00 0.00 C ATOM 306 C LEU A 20 -2.836 3.660 -2.690 1.00 0.00 C ATOM 307 O LEU A 20 -2.209 2.720 -3.138 1.00 0.00 O ATOM 308 CB LEU A 20 -3.238 2.747 -0.385 1.00 0.00 C ATOM 309 CG LEU A 20 -2.514 3.752 0.530 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.480 4.550 -0.274 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.533 4.717 1.183 1.00 0.00 C ATOM 0 H LEU A 20 -4.713 1.811 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.254 4.439 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.006 2.221 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.532 1.996 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.001 3.198 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.975 5.257 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.747 3.867 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.982 5.094 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.006 5.421 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.065 5.265 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.246 4.146 1.777 1.00 0.00 H new ATOM 323 N LYS A 21 -2.630 4.884 -3.109 1.00 0.00 N ATOM 324 CA LYS A 21 -1.611 5.179 -4.165 1.00 0.00 C ATOM 325 C LYS A 21 -0.510 6.046 -3.559 1.00 0.00 C ATOM 326 O LYS A 21 -0.779 6.998 -2.852 1.00 0.00 O ATOM 327 CB LYS A 21 -2.267 5.932 -5.323 1.00 0.00 C ATOM 328 CG LYS A 21 -1.198 6.299 -6.358 1.00 0.00 C ATOM 329 CD LYS A 21 -1.856 6.889 -7.608 1.00 0.00 C ATOM 330 CE LYS A 21 -2.534 8.220 -7.267 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.746 8.999 -8.519 1.00 0.00 N ATOM 0 H LYS A 21 -3.130 5.702 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.191 4.245 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.038 5.314 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.758 6.833 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.500 7.019 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.620 5.414 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.107 7.042 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.591 6.189 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.488 8.039 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.916 8.788 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.206 9.903 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.829 9.182 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.351 8.456 -9.167 1.00 0.00 H new ATOM 345 N ALA A 22 0.726 5.734 -3.831 1.00 0.00 N ATOM 346 CA ALA A 22 1.830 6.562 -3.264 1.00 0.00 C ATOM 347 C ALA A 22 3.150 6.223 -3.954 1.00 0.00 C ATOM 348 O ALA A 22 3.220 5.336 -4.780 1.00 0.00 O ATOM 349 CB ALA A 22 1.957 6.304 -1.764 1.00 0.00 C ATOM 0 H ALA A 22 1.019 4.951 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 22 1.599 7.614 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.765 6.912 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.022 6.566 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.175 5.250 -1.593 1.00 0.00 H new ATOM 355 N LYS A 23 4.199 6.935 -3.621 1.00 0.00 N ATOM 356 CA LYS A 23 5.533 6.680 -4.252 1.00 0.00 C ATOM 357 C LYS A 23 6.427 5.916 -3.276 1.00 0.00 C ATOM 358 O LYS A 23 6.402 6.146 -2.085 1.00 0.00 O ATOM 359 CB LYS A 23 6.180 8.021 -4.606 1.00 0.00 C ATOM 360 CG LYS A 23 7.561 7.788 -5.229 1.00 0.00 C ATOM 361 CD LYS A 23 8.165 9.130 -5.640 1.00 0.00 C ATOM 362 CE LYS A 23 9.537 8.895 -6.273 1.00 0.00 C ATOM 363 NZ LYS A 23 10.126 10.197 -6.693 1.00 0.00 N ATOM 0 H LYS A 23 4.188 7.688 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 23 5.405 6.084 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.545 8.568 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.275 8.636 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.214 7.286 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.475 7.134 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.508 9.636 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.260 9.781 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.197 8.399 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.442 8.233 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.059 10.033 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.500 10.653 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.231 10.814 -5.863 1.00 0.00 H new ATOM 377 N VAL A 24 7.211 4.997 -3.774 1.00 0.00 N ATOM 378 CA VAL A 24 8.100 4.208 -2.872 1.00 0.00 C ATOM 379 C VAL A 24 9.378 4.986 -2.569 1.00 0.00 C ATOM 380 O VAL A 24 10.071 5.441 -3.458 1.00 0.00 O ATOM 381 CB VAL A 24 8.457 2.889 -3.557 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.454 2.114 -2.692 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.187 2.054 -3.749 1.00 0.00 C ATOM 0 H VAL A 24 7.274 4.759 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 24 7.579 4.015 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 24 8.907 3.095 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.707 1.174 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.358 2.708 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.008 1.907 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.441 1.113 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.736 1.849 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.479 2.605 -4.368 1.00 0.00 H new ATOM 393 N ILE A 25 9.700 5.122 -1.308 1.00 0.00 N ATOM 394 CA ILE A 25 10.941 5.849 -0.910 1.00 0.00 C ATOM 395 C ILE A 25 12.039 4.828 -0.627 1.00 0.00 C ATOM 396 O ILE A 25 13.076 4.828 -1.257 1.00 0.00 O ATOM 397 CB ILE A 25 10.675 6.658 0.361 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.664 7.773 0.069 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.985 7.275 0.855 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.197 8.411 1.385 1.00 0.00 C ATOM 0 H ILE A 25 9.150 4.757 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 25 11.247 6.521 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 25 10.268 5.998 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.118 8.529 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.809 7.368 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.797 7.852 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.701 6.483 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.391 7.931 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.479 9.203 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.725 7.652 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.055 8.832 1.910 1.00 0.00 H new ATOM 412 N GLN A 26 11.818 3.952 0.322 1.00 0.00 N ATOM 413 CA GLN A 26 12.852 2.926 0.647 1.00 0.00 C ATOM 414 C GLN A 26 12.172 1.630 1.089 1.00 0.00 C ATOM 415 O GLN A 26 11.104 1.639 1.684 1.00 0.00 O ATOM 416 CB GLN A 26 13.747 3.442 1.774 1.00 0.00 C ATOM 417 CG GLN A 26 14.883 2.447 2.007 1.00 0.00 C ATOM 418 CD GLN A 26 15.878 3.027 3.012 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.840 4.202 3.312 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.784 2.249 3.539 1.00 0.00 N ATOM 0 H GLN A 26 10.968 3.904 0.884 1.00 0.00 H new ATOM 0 HA GLN A 26 13.457 2.732 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.152 4.420 1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.166 3.569 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.483 1.504 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.387 2.229 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.817 1.261 3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.459 2.629 4.202 1.00 0.00 H new ATOM 429 N LEU A 27 12.792 0.512 0.789 1.00 0.00 N ATOM 430 CA LEU A 27 12.220 -0.818 1.164 1.00 0.00 C ATOM 431 C LEU A 27 13.260 -1.603 1.969 1.00 0.00 C ATOM 432 O LEU A 27 14.451 -1.434 1.795 1.00 0.00 O ATOM 433 CB LEU A 27 11.852 -1.606 -0.115 1.00 0.00 C ATOM 434 CG LEU A 27 12.737 -1.146 -1.296 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.886 -2.290 -2.308 1.00 0.00 C ATOM 436 CD2 LEU A 27 12.104 0.073 -1.996 1.00 0.00 C ATOM 0 H LEU A 27 13.682 0.466 0.293 1.00 0.00 H new ATOM 0 HA LEU A 27 11.323 -0.673 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.986 -2.674 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.800 -1.451 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 27 13.717 -0.867 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.510 -1.962 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.351 -3.148 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.903 -2.574 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.738 0.386 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.118 -0.196 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.008 0.892 -1.284 1.00 0.00 H new ATOM 448 N TRP A 28 12.807 -2.468 2.842 1.00 0.00 N ATOM 449 CA TRP A 28 13.739 -3.292 3.669 1.00 0.00 C ATOM 450 C TRP A 28 13.409 -4.770 3.464 1.00 0.00 C ATOM 451 O TRP A 28 12.419 -5.274 3.955 1.00 0.00 O ATOM 452 CB TRP A 28 13.573 -2.913 5.140 1.00 0.00 C ATOM 453 CG TRP A 28 14.174 -1.564 5.365 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.476 -0.414 5.517 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.583 -1.202 5.455 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.367 0.628 5.701 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.677 0.193 5.672 1.00 0.00 C ATOM 458 CE3 TRP A 28 16.775 -1.944 5.374 1.00 0.00 C ATOM 459 CZ2 TRP A 28 16.913 0.830 5.802 1.00 0.00 C ATOM 460 CZ3 TRP A 28 18.020 -1.306 5.504 1.00 0.00 C ATOM 461 CH2 TRP A 28 18.088 0.077 5.719 1.00 0.00 C ATOM 0 H TRP A 28 11.817 -2.640 3.018 1.00 0.00 H new ATOM 0 HA TRP A 28 14.771 -3.110 3.370 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.517 -2.905 5.410 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.059 -3.653 5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.400 -0.325 5.498 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.090 1.600 5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 28 16.733 -3.011 5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 16.961 1.896 5.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 18.930 -1.885 5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 28 19.048 0.561 5.821 1.00 0.00 H new ATOM 472 N GLU A 29 14.231 -5.456 2.723 1.00 0.00 N ATOM 473 CA GLU A 29 13.986 -6.898 2.449 1.00 0.00 C ATOM 474 C GLU A 29 13.947 -7.680 3.759 1.00 0.00 C ATOM 475 O GLU A 29 14.723 -7.445 4.662 1.00 0.00 O ATOM 476 CB GLU A 29 15.105 -7.440 1.556 1.00 0.00 C ATOM 477 CG GLU A 29 15.020 -6.812 0.152 1.00 0.00 C ATOM 478 CD GLU A 29 15.698 -5.436 0.143 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.112 -4.989 1.198 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.790 -4.852 -0.924 1.00 0.00 O ATOM 0 H GLU A 29 15.072 -5.075 2.290 1.00 0.00 H new ATOM 0 HA GLU A 29 13.027 -7.011 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.075 -7.220 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.027 -8.525 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.500 -7.466 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.977 -6.713 -0.147 1.00 0.00 H new ATOM 487 N ASN A 30 13.040 -8.612 3.862 1.00 0.00 N ATOM 488 CA ASN A 30 12.926 -9.423 5.105 1.00 0.00 C ATOM 489 C ASN A 30 12.399 -10.813 4.738 1.00 0.00 C ATOM 490 O ASN A 30 11.235 -10.992 4.442 1.00 0.00 O ATOM 491 CB ASN A 30 11.961 -8.713 6.061 1.00 0.00 C ATOM 492 CG ASN A 30 11.751 -9.546 7.323 1.00 0.00 C ATOM 493 OD1 ASN A 30 12.696 -10.030 7.912 1.00 0.00 O ATOM 494 ND2 ASN A 30 10.539 -9.725 7.772 1.00 0.00 N ATOM 0 H ASN A 30 12.368 -8.848 3.132 1.00 0.00 H new ATOM 0 HA ASN A 30 13.895 -9.531 5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.358 -7.733 6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.005 -8.546 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.384 -10.272 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.746 -9.318 7.276 1.00 0.00 H new ATOM 501 N THR A 31 13.264 -11.796 4.741 1.00 0.00 N ATOM 502 CA THR A 31 12.845 -13.183 4.378 1.00 0.00 C ATOM 503 C THR A 31 12.373 -13.911 5.636 1.00 0.00 C ATOM 504 O THR A 31 12.796 -15.012 5.924 1.00 0.00 O ATOM 505 CB THR A 31 14.047 -13.920 3.771 1.00 0.00 C ATOM 506 OG1 THR A 31 14.711 -13.056 2.861 1.00 0.00 O ATOM 507 CG2 THR A 31 13.577 -15.174 3.030 1.00 0.00 C ATOM 0 H THR A 31 14.250 -11.695 4.981 1.00 0.00 H new ATOM 0 HA THR A 31 12.031 -13.153 3.654 1.00 0.00 H new ATOM 0 HB THR A 31 14.728 -14.215 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.481 -13.521 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.438 -15.689 2.604 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.066 -15.838 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.892 -14.889 2.231 1.00 0.00 H new ATOM 515 N HIS A 32 11.502 -13.297 6.391 1.00 0.00 N ATOM 516 CA HIS A 32 11.003 -13.942 7.636 1.00 0.00 C ATOM 517 C HIS A 32 9.849 -14.889 7.297 1.00 0.00 C ATOM 518 O HIS A 32 8.982 -15.128 8.108 1.00 0.00 O ATOM 519 CB HIS A 32 10.515 -12.863 8.604 1.00 0.00 C ATOM 520 CG HIS A 32 10.070 -13.505 9.888 1.00 0.00 C ATOM 521 ND1 HIS A 32 10.881 -14.378 10.594 1.00 0.00 N ATOM 522 CD2 HIS A 32 8.906 -13.408 10.608 1.00 0.00 C ATOM 523 CE1 HIS A 32 10.201 -14.771 11.686 1.00 0.00 C ATOM 524 NE2 HIS A 32 8.990 -14.210 11.743 1.00 0.00 N ATOM 0 H HIS A 32 11.114 -12.374 6.197 1.00 0.00 H new ATOM 0 HA HIS A 32 11.809 -14.510 8.100 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.314 -12.148 8.800 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.691 -12.306 8.159 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.055 -12.802 10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.587 -15.456 12.426 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.280 -14.341 12.463 1.00 0.00 H new ATOM 532 N GLU A 33 9.844 -15.430 6.102 1.00 0.00 N ATOM 533 CA GLU A 33 8.766 -16.373 5.686 1.00 0.00 C ATOM 534 C GLU A 33 7.400 -15.684 5.765 1.00 0.00 C ATOM 535 O GLU A 33 6.785 -15.390 4.759 1.00 0.00 O ATOM 536 CB GLU A 33 8.779 -17.597 6.605 1.00 0.00 C ATOM 537 CG GLU A 33 7.855 -18.670 6.035 1.00 0.00 C ATOM 538 CD GLU A 33 8.490 -19.286 4.789 1.00 0.00 C ATOM 539 OE1 GLU A 33 9.630 -18.956 4.504 1.00 0.00 O ATOM 540 OE2 GLU A 33 7.827 -20.078 4.140 1.00 0.00 O ATOM 0 H GLU A 33 10.553 -15.253 5.390 1.00 0.00 H new ATOM 0 HA GLU A 33 8.943 -16.685 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.793 -17.986 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.454 -17.317 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.674 -19.442 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.887 -18.235 5.785 1.00 0.00 H new ATOM 547 N SER A 34 6.917 -15.439 6.950 1.00 0.00 N ATOM 548 CA SER A 34 5.587 -14.787 7.101 1.00 0.00 C ATOM 549 C SER A 34 5.605 -13.400 6.463 1.00 0.00 C ATOM 550 O SER A 34 4.624 -12.968 5.891 1.00 0.00 O ATOM 551 CB SER A 34 5.267 -14.653 8.588 1.00 0.00 C ATOM 552 OG SER A 34 6.285 -13.883 9.213 1.00 0.00 O ATOM 0 H SER A 34 7.389 -15.664 7.826 1.00 0.00 H new ATOM 0 HA SER A 34 4.830 -15.395 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.297 -14.175 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.203 -15.638 9.050 1.00 0.00 H new ATOM 0 HG SER A 34 6.086 -13.791 10.168 1.00 0.00 H new ATOM 558 N ILE A 35 6.707 -12.696 6.559 1.00 0.00 N ATOM 559 CA ILE A 35 6.792 -11.323 5.960 1.00 0.00 C ATOM 560 C ILE A 35 7.780 -11.325 4.794 1.00 0.00 C ATOM 561 O ILE A 35 8.905 -11.770 4.913 1.00 0.00 O ATOM 562 CB ILE A 35 7.256 -10.334 7.030 1.00 0.00 C ATOM 563 CG1 ILE A 35 6.195 -10.253 8.133 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.443 -8.953 6.398 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.745 -9.469 9.326 1.00 0.00 C ATOM 0 H ILE A 35 7.556 -13.013 7.028 1.00 0.00 H new ATOM 0 HA ILE A 35 5.810 -11.027 5.591 1.00 0.00 H new ATOM 0 HB ILE A 35 8.202 -10.668 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.297 -9.768 7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.907 -11.256 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.774 -8.246 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.192 -9.013 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.497 -8.615 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.986 -9.415 10.107 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.630 -9.972 9.715 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.011 -8.461 9.008 1.00 0.00 H new ATOM 577 N SER A 36 7.353 -10.830 3.664 1.00 0.00 N ATOM 578 CA SER A 36 8.234 -10.789 2.465 1.00 0.00 C ATOM 579 C SER A 36 9.100 -9.530 2.510 1.00 0.00 C ATOM 580 O SER A 36 10.302 -9.598 2.665 1.00 0.00 O ATOM 581 CB SER A 36 7.361 -10.772 1.206 1.00 0.00 C ATOM 582 OG SER A 36 6.220 -11.591 1.423 1.00 0.00 O ATOM 0 H SER A 36 6.418 -10.448 3.520 1.00 0.00 H new ATOM 0 HA SER A 36 8.881 -11.666 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.054 -9.752 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.928 -11.136 0.349 1.00 0.00 H new ATOM 0 HG SER A 36 5.525 -11.070 1.877 1.00 0.00 H new ATOM 588 N GLN A 37 8.493 -8.378 2.365 1.00 0.00 N ATOM 589 CA GLN A 37 9.270 -7.102 2.389 1.00 0.00 C ATOM 590 C GLN A 37 8.492 -6.043 3.168 1.00 0.00 C ATOM 591 O GLN A 37 7.278 -6.060 3.217 1.00 0.00 O ATOM 592 CB GLN A 37 9.482 -6.614 0.953 1.00 0.00 C ATOM 593 CG GLN A 37 10.352 -5.356 0.966 1.00 0.00 C ATOM 594 CD GLN A 37 10.621 -4.901 -0.468 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.706 -4.556 -1.189 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.847 -4.890 -0.916 1.00 0.00 N ATOM 0 H GLN A 37 7.488 -8.267 2.230 1.00 0.00 H new ATOM 0 HA GLN A 37 10.234 -7.273 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.960 -7.393 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.521 -6.400 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.853 -4.563 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.294 -5.559 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.614 -5.180 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.038 -4.591 -1.872 1.00 0.00 H new ATOM 605 N VAL A 38 9.191 -5.116 3.773 1.00 0.00 N ATOM 606 CA VAL A 38 8.518 -4.033 4.554 1.00 0.00 C ATOM 607 C VAL A 38 9.174 -2.695 4.219 1.00 0.00 C ATOM 608 O VAL A 38 10.379 -2.604 4.081 1.00 0.00 O ATOM 609 CB VAL A 38 8.661 -4.321 6.051 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.145 -4.380 6.432 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.974 -3.207 6.845 1.00 0.00 C ATOM 0 H VAL A 38 10.210 -5.063 3.759 1.00 0.00 H new ATOM 0 HA VAL A 38 7.459 -3.993 4.297 1.00 0.00 H new ATOM 0 HB VAL A 38 8.196 -5.280 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.239 -4.585 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.635 -5.172 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.618 -3.425 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.073 -3.407 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.442 -2.251 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.918 -3.169 6.579 1.00 0.00 H new ATOM 621 N GLY A 39 8.398 -1.654 4.075 1.00 0.00 N ATOM 622 CA GLY A 39 9.002 -0.334 3.737 1.00 0.00 C ATOM 623 C GLY A 39 8.004 0.789 3.993 1.00 0.00 C ATOM 624 O GLY A 39 7.018 0.613 4.681 1.00 0.00 O ATOM 0 H GLY A 39 7.383 -1.660 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.900 -0.174 4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.309 -0.325 2.691 1.00 0.00 H new ATOM 628 N LEU A 40 8.254 1.951 3.435 1.00 0.00 N ATOM 629 CA LEU A 40 7.322 3.109 3.634 1.00 0.00 C ATOM 630 C LEU A 40 7.110 3.839 2.307 1.00 0.00 C ATOM 631 O LEU A 40 7.999 3.914 1.483 1.00 0.00 O ATOM 632 CB LEU A 40 7.901 4.061 4.695 1.00 0.00 C ATOM 633 CG LEU A 40 9.122 4.821 4.144 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.681 5.736 5.237 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.206 3.821 3.704 1.00 0.00 C ATOM 0 H LEU A 40 9.065 2.148 2.849 1.00 0.00 H new ATOM 0 HA LEU A 40 6.356 2.745 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.136 4.772 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.190 3.494 5.580 1.00 0.00 H new ATOM 0 HG LEU A 40 8.819 5.418 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.546 6.276 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.914 6.448 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.981 5.136 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.067 4.365 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.513 3.218 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.807 3.170 2.926 1.00 0.00 H new ATOM 647 N LEU A 41 5.928 4.372 2.093 1.00 0.00 N ATOM 648 CA LEU A 41 5.635 5.090 0.811 1.00 0.00 C ATOM 649 C LEU A 41 5.504 6.590 1.074 1.00 0.00 C ATOM 650 O LEU A 41 4.825 7.019 1.987 1.00 0.00 O ATOM 651 CB LEU A 41 4.321 4.568 0.232 1.00 0.00 C ATOM 652 CG LEU A 41 4.366 3.041 0.130 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.006 2.527 -0.342 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.444 2.613 -0.873 1.00 0.00 C ATOM 0 H LEU A 41 5.152 4.340 2.754 1.00 0.00 H new ATOM 0 HA LEU A 41 6.449 4.916 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.488 4.874 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.150 5.002 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 41 4.602 2.624 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.034 1.440 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.237 2.823 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.776 2.951 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.469 1.525 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.215 3.031 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.416 2.978 -0.541 1.00 0.00 H new ATOM 666 N GLY A 42 6.159 7.385 0.275 1.00 0.00 N ATOM 667 CA GLY A 42 6.097 8.860 0.454 1.00 0.00 C ATOM 668 C GLY A 42 4.797 9.415 -0.124 1.00 0.00 C ATOM 669 O GLY A 42 4.120 8.770 -0.901 1.00 0.00 O ATOM 0 H GLY A 42 6.740 7.071 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.165 9.107 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.950 9.328 -0.038 1.00 0.00 H new ATOM 673 N ASP A 43 4.458 10.620 0.243 1.00 0.00 N ATOM 674 CA ASP A 43 3.215 11.248 -0.281 1.00 0.00 C ATOM 675 C ASP A 43 3.176 12.717 0.149 1.00 0.00 C ATOM 676 O ASP A 43 3.514 13.055 1.265 1.00 0.00 O ATOM 677 CB ASP A 43 1.988 10.519 0.273 1.00 0.00 C ATOM 678 CG ASP A 43 0.733 11.050 -0.420 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.759 12.187 -0.860 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.234 10.311 -0.500 1.00 0.00 O ATOM 0 H ASP A 43 4.994 11.200 0.889 1.00 0.00 H new ATOM 0 HA ASP A 43 3.206 11.181 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.083 9.446 0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.915 10.671 1.350 1.00 0.00 H new ATOM 685 N GLU A 44 2.772 13.589 -0.732 1.00 0.00 N ATOM 686 CA GLU A 44 2.713 15.036 -0.386 1.00 0.00 C ATOM 687 C GLU A 44 1.844 15.221 0.858 1.00 0.00 C ATOM 688 O GLU A 44 1.832 16.268 1.471 1.00 0.00 O ATOM 689 CB GLU A 44 2.117 15.811 -1.566 1.00 0.00 C ATOM 690 CG GLU A 44 0.657 15.399 -1.776 1.00 0.00 C ATOM 691 CD GLU A 44 0.125 16.042 -3.057 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.870 16.103 -4.021 1.00 0.00 O ATOM 693 OE2 GLU A 44 -1.020 16.464 -3.052 1.00 0.00 O ATOM 0 H GLU A 44 2.479 13.360 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 44 3.715 15.413 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.178 16.883 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.693 15.614 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.580 14.314 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.054 15.710 -0.923 1.00 0.00 H new ATOM 700 N THR A 45 1.110 14.204 1.230 1.00 0.00 N ATOM 701 CA THR A 45 0.230 14.302 2.430 1.00 0.00 C ATOM 702 C THR A 45 0.936 13.669 3.630 1.00 0.00 C ATOM 703 O THR A 45 0.489 13.792 4.751 1.00 0.00 O ATOM 704 CB THR A 45 -1.074 13.553 2.151 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.777 12.295 1.562 1.00 0.00 O ATOM 706 CG2 THR A 45 -1.943 14.370 1.191 1.00 0.00 C ATOM 0 H THR A 45 1.083 13.304 0.750 1.00 0.00 H new ATOM 0 HA THR A 45 0.015 15.348 2.648 1.00 0.00 H new ATOM 0 HB THR A 45 -1.612 13.403 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.611 11.812 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.871 13.833 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.171 15.337 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.406 14.522 0.254 1.00 0.00 H new ATOM 714 N GLY A 46 2.044 13.002 3.411 1.00 0.00 N ATOM 715 CA GLY A 46 2.782 12.377 4.554 1.00 0.00 C ATOM 716 C GLY A 46 3.420 11.056 4.121 1.00 0.00 C ATOM 717 O GLY A 46 3.659 10.819 2.954 1.00 0.00 O ATOM 0 H GLY A 46 2.468 12.864 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.552 13.059 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.098 12.202 5.384 1.00 0.00 H new ATOM 721 N ILE A 47 3.698 10.194 5.072 1.00 0.00 N ATOM 722 CA ILE A 47 4.327 8.870 4.761 1.00 0.00 C ATOM 723 C ILE A 47 3.486 7.751 5.363 1.00 0.00 C ATOM 724 O ILE A 47 2.783 7.950 6.334 1.00 0.00 O ATOM 725 CB ILE A 47 5.736 8.825 5.366 1.00 0.00 C ATOM 726 CG1 ILE A 47 5.669 9.057 6.886 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.608 9.907 4.724 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.065 8.886 7.490 1.00 0.00 C ATOM 0 H ILE A 47 3.513 10.354 6.062 1.00 0.00 H new ATOM 0 HA ILE A 47 4.385 8.740 3.680 1.00 0.00 H new ATOM 0 HB ILE A 47 6.170 7.844 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.290 10.057 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.975 8.351 7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.608 9.872 5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.671 9.734 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.167 10.887 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.018 9.050 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.426 7.877 7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.746 9.609 7.042 1.00 0.00 H new ATOM 740 N ILE A 48 3.557 6.568 4.805 1.00 0.00 N ATOM 741 CA ILE A 48 2.765 5.428 5.359 1.00 0.00 C ATOM 742 C ILE A 48 3.600 4.146 5.291 1.00 0.00 C ATOM 743 O ILE A 48 4.322 3.906 4.344 1.00 0.00 O ATOM 744 CB ILE A 48 1.442 5.285 4.562 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.288 4.917 5.514 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.551 4.215 3.460 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.618 3.660 6.321 1.00 0.00 C ATOM 0 H ILE A 48 4.129 6.343 3.991 1.00 0.00 H new ATOM 0 HA ILE A 48 2.515 5.615 6.403 1.00 0.00 H new ATOM 0 HB ILE A 48 1.243 6.246 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.094 5.748 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.624 4.755 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.604 4.146 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.342 4.490 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.784 3.251 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.214 3.424 6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.788 2.825 5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.516 3.834 6.914 1.00 0.00 H new ATOM 759 N LYS A 49 3.487 3.321 6.289 1.00 0.00 N ATOM 760 CA LYS A 49 4.249 2.041 6.310 1.00 0.00 C ATOM 761 C LYS A 49 3.405 0.940 5.676 1.00 0.00 C ATOM 762 O LYS A 49 2.203 0.909 5.830 1.00 0.00 O ATOM 763 CB LYS A 49 4.579 1.672 7.751 1.00 0.00 C ATOM 764 CG LYS A 49 5.564 2.695 8.310 1.00 0.00 C ATOM 765 CD LYS A 49 5.926 2.318 9.741 1.00 0.00 C ATOM 766 CE LYS A 49 6.915 3.337 10.308 1.00 0.00 C ATOM 767 NZ LYS A 49 7.257 2.967 11.711 1.00 0.00 N ATOM 0 H LYS A 49 2.892 3.479 7.103 1.00 0.00 H new ATOM 0 HA LYS A 49 5.175 2.155 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.671 1.655 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.009 0.671 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.462 2.727 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.124 3.692 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.028 2.287 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.364 1.320 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.817 3.364 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.481 4.336 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.033 3.761 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.705 2.132 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.272 2.749 11.775 1.00 0.00 H new ATOM 781 N PHE A 50 4.021 0.030 4.962 1.00 0.00 N ATOM 782 CA PHE A 50 3.242 -1.071 4.315 1.00 0.00 C ATOM 783 C PHE A 50 3.984 -2.392 4.483 1.00 0.00 C ATOM 784 O PHE A 50 5.197 -2.430 4.599 1.00 0.00 O ATOM 785 CB PHE A 50 3.070 -0.766 2.821 1.00 0.00 C ATOM 786 CG PHE A 50 4.397 -0.888 2.103 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.326 0.157 2.151 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.691 -2.050 1.380 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.549 0.039 1.474 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.910 -2.168 0.704 1.00 0.00 C ATOM 791 CZ PHE A 50 6.838 -1.124 0.750 1.00 0.00 C ATOM 0 H PHE A 50 5.028 0.002 4.799 1.00 0.00 H new ATOM 0 HA PHE A 50 2.262 -1.146 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.347 -1.455 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.670 0.240 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.102 1.054 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.975 -2.858 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.267 0.845 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.134 -3.066 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.778 -1.214 0.227 1.00 0.00 H new ATOM 801 N THR A 51 3.251 -3.476 4.494 1.00 0.00 N ATOM 802 CA THR A 51 3.870 -4.825 4.651 1.00 0.00 C ATOM 803 C THR A 51 3.371 -5.733 3.531 1.00 0.00 C ATOM 804 O THR A 51 2.192 -5.787 3.243 1.00 0.00 O ATOM 805 CB THR A 51 3.464 -5.408 6.003 1.00 0.00 C ATOM 806 OG1 THR A 51 3.930 -4.557 7.039 1.00 0.00 O ATOM 807 CG2 THR A 51 4.081 -6.797 6.160 1.00 0.00 C ATOM 0 H THR A 51 2.235 -3.482 4.399 1.00 0.00 H new ATOM 0 HA THR A 51 4.956 -4.746 4.601 1.00 0.00 H new ATOM 0 HB THR A 51 2.378 -5.487 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.670 -4.927 7.908 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.793 -7.216 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.724 -7.446 5.361 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.167 -6.721 6.107 1.00 0.00 H new ATOM 815 N ILE A 52 4.262 -6.440 2.888 1.00 0.00 N ATOM 816 CA ILE A 52 3.851 -7.342 1.772 1.00 0.00 C ATOM 817 C ILE A 52 3.770 -8.777 2.270 1.00 0.00 C ATOM 818 O ILE A 52 4.736 -9.339 2.745 1.00 0.00 O ATOM 819 CB ILE A 52 4.894 -7.252 0.653 1.00 0.00 C ATOM 820 CG1 ILE A 52 5.022 -5.791 0.186 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.491 -8.155 -0.519 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.656 -5.235 -0.248 1.00 0.00 C ATOM 0 H ILE A 52 5.262 -6.432 3.089 1.00 0.00 H new ATOM 0 HA ILE A 52 2.873 -7.038 1.398 1.00 0.00 H new ATOM 0 HB ILE A 52 5.859 -7.590 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.428 -5.181 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.725 -5.730 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.240 -8.083 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.423 -9.188 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.523 -7.837 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.771 -4.201 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.264 -5.833 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.963 -5.276 0.592 1.00 0.00 H new ATOM 834 N TRP A 53 2.620 -9.380 2.152 1.00 0.00 N ATOM 835 CA TRP A 53 2.475 -10.786 2.605 1.00 0.00 C ATOM 836 C TRP A 53 2.991 -11.711 1.505 1.00 0.00 C ATOM 837 O TRP A 53 2.556 -11.651 0.372 1.00 0.00 O ATOM 838 CB TRP A 53 1.001 -11.074 2.892 1.00 0.00 C ATOM 839 CG TRP A 53 0.611 -10.417 4.180 1.00 0.00 C ATOM 840 CD1 TRP A 53 -0.167 -9.316 4.293 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.979 -10.799 5.537 1.00 0.00 C ATOM 842 NE1 TRP A 53 -0.306 -9.002 5.633 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.382 -9.888 6.440 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.762 -11.840 6.067 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.556 -10.004 7.820 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.940 -11.961 7.455 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.338 -11.044 8.329 1.00 0.00 C ATOM 0 H TRP A 53 1.777 -8.959 1.762 1.00 0.00 H new ATOM 0 HA TRP A 53 3.050 -10.953 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.380 -10.701 2.077 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.834 -12.149 2.954 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.608 -8.771 3.471 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.850 -8.213 5.983 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.230 -12.551 5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.090 -9.296 8.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.543 -12.764 7.851 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.479 -11.142 9.395 1.00 0.00 H new ATOM 858 N LYS A 54 3.927 -12.554 1.831 1.00 0.00 N ATOM 859 CA LYS A 54 4.494 -13.476 0.813 1.00 0.00 C ATOM 860 C LYS A 54 3.381 -14.402 0.306 1.00 0.00 C ATOM 861 O LYS A 54 3.516 -15.060 -0.706 1.00 0.00 O ATOM 862 CB LYS A 54 5.620 -14.300 1.473 1.00 0.00 C ATOM 863 CG LYS A 54 6.790 -14.480 0.504 1.00 0.00 C ATOM 864 CD LYS A 54 7.930 -15.208 1.221 1.00 0.00 C ATOM 865 CE LYS A 54 9.100 -15.399 0.259 1.00 0.00 C ATOM 866 NZ LYS A 54 10.209 -16.103 0.961 1.00 0.00 N ATOM 0 H LYS A 54 4.326 -12.644 2.765 1.00 0.00 H new ATOM 0 HA LYS A 54 4.901 -12.919 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.963 -13.799 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.237 -15.275 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.471 -15.050 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.132 -13.510 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.251 -14.635 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.585 -16.175 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.781 -15.976 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.444 -14.432 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.007 -16.234 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.519 -15.536 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.877 -17.031 1.291 1.00 0.00 H new ATOM 880 N ASN A 55 2.287 -14.457 1.013 1.00 0.00 N ATOM 881 CA ASN A 55 1.160 -15.335 0.596 1.00 0.00 C ATOM 882 C ASN A 55 0.618 -14.863 -0.756 1.00 0.00 C ATOM 883 O ASN A 55 0.288 -15.655 -1.616 1.00 0.00 O ATOM 884 CB ASN A 55 0.052 -15.249 1.647 1.00 0.00 C ATOM 885 CG ASN A 55 0.501 -15.956 2.928 1.00 0.00 C ATOM 886 OD1 ASN A 55 1.416 -16.755 2.908 1.00 0.00 O ATOM 887 ND2 ASN A 55 -0.109 -15.690 4.052 1.00 0.00 N ATOM 0 H ASN A 55 2.125 -13.927 1.869 1.00 0.00 H new ATOM 0 HA ASN A 55 1.506 -16.365 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.182 -14.206 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.860 -15.709 1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.183 -16.153 4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.877 -15.019 4.069 1.00 0.00 H new ATOM 894 N ALA A 56 0.524 -13.575 -0.947 1.00 0.00 N ATOM 895 CA ALA A 56 0.007 -13.038 -2.237 1.00 0.00 C ATOM 896 C ALA A 56 0.967 -13.414 -3.366 1.00 0.00 C ATOM 897 O ALA A 56 0.562 -13.618 -4.490 1.00 0.00 O ATOM 898 CB ALA A 56 -0.108 -11.515 -2.141 1.00 0.00 C ATOM 0 H ALA A 56 0.785 -12.868 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.975 -13.462 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.486 -11.119 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.794 -11.252 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.874 -11.088 -1.936 1.00 0.00 H new ATOM 904 N GLU A 57 2.238 -13.485 -3.063 1.00 0.00 N ATOM 905 CA GLU A 57 3.258 -13.832 -4.094 1.00 0.00 C ATOM 906 C GLU A 57 3.215 -12.809 -5.221 1.00 0.00 C ATOM 907 O GLU A 57 3.164 -13.154 -6.384 1.00 0.00 O ATOM 908 CB GLU A 57 3.002 -15.242 -4.650 1.00 0.00 C ATOM 909 CG GLU A 57 3.160 -16.267 -3.525 1.00 0.00 C ATOM 910 CD GLU A 57 4.615 -16.279 -3.046 1.00 0.00 C ATOM 911 OE1 GLU A 57 5.467 -15.821 -3.789 1.00 0.00 O ATOM 912 OE2 GLU A 57 4.849 -16.740 -1.940 1.00 0.00 O ATOM 0 H GLU A 57 2.616 -13.314 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 57 4.245 -13.818 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.999 -15.302 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.702 -15.460 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.495 -16.020 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.874 -17.258 -3.878 1.00 0.00 H new ATOM 919 N LEU A 58 3.239 -11.544 -4.880 1.00 0.00 N ATOM 920 CA LEU A 58 3.203 -10.477 -5.923 1.00 0.00 C ATOM 921 C LEU A 58 4.623 -9.920 -6.138 1.00 0.00 C ATOM 922 O LEU A 58 5.435 -9.936 -5.232 1.00 0.00 O ATOM 923 CB LEU A 58 2.283 -9.348 -5.451 1.00 0.00 C ATOM 924 CG LEU A 58 0.855 -9.886 -5.271 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.048 -8.906 -4.420 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.166 -10.055 -6.636 1.00 0.00 C ATOM 0 H LEU A 58 3.282 -11.205 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 58 2.830 -10.892 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.649 -8.937 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.287 -8.535 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 58 0.906 -10.857 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.966 -9.285 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.521 -8.796 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.012 -7.937 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.844 -10.437 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.119 -9.091 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.734 -10.757 -7.246 1.00 0.00 H new ATOM 938 N PRO A 59 4.925 -9.415 -7.318 1.00 0.00 N ATOM 939 CA PRO A 59 6.271 -8.834 -7.615 1.00 0.00 C ATOM 940 C PRO A 59 6.722 -7.807 -6.563 1.00 0.00 C ATOM 941 O PRO A 59 5.921 -7.122 -5.960 1.00 0.00 O ATOM 942 CB PRO A 59 6.091 -8.150 -8.983 1.00 0.00 C ATOM 943 CG PRO A 59 4.928 -8.836 -9.629 1.00 0.00 C ATOM 944 CD PRO A 59 4.034 -9.361 -8.500 1.00 0.00 C ATOM 0 HA PRO A 59 7.042 -9.605 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.900 -7.083 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.990 -8.248 -9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.378 -8.144 -10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.267 -9.654 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.184 -8.701 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.630 -10.345 -8.738 1.00 0.00 H new ATOM 952 N LEU A 60 8.006 -7.715 -6.337 1.00 0.00 N ATOM 953 CA LEU A 60 8.534 -6.759 -5.321 1.00 0.00 C ATOM 954 C LEU A 60 8.350 -5.321 -5.793 1.00 0.00 C ATOM 955 O LEU A 60 8.260 -5.040 -6.971 1.00 0.00 O ATOM 956 CB LEU A 60 10.019 -7.034 -5.086 1.00 0.00 C ATOM 957 CG LEU A 60 10.211 -8.488 -4.645 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.705 -8.764 -4.466 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.472 -8.743 -3.317 1.00 0.00 C ATOM 0 H LEU A 60 8.717 -8.266 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 60 7.982 -6.895 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.583 -6.843 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.408 -6.358 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 60 9.802 -9.153 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.849 -9.798 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.222 -8.597 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.110 -8.095 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.616 -9.780 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.869 -8.081 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.408 -8.548 -3.450 1.00 0.00 H new ATOM 971 N LEU A 61 8.272 -4.411 -4.862 1.00 0.00 N ATOM 972 CA LEU A 61 8.063 -2.982 -5.209 1.00 0.00 C ATOM 973 C LEU A 61 9.374 -2.352 -5.671 1.00 0.00 C ATOM 974 O LEU A 61 10.446 -2.742 -5.253 1.00 0.00 O ATOM 975 CB LEU A 61 7.536 -2.241 -3.978 1.00 0.00 C ATOM 976 CG LEU A 61 6.080 -2.657 -3.682 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.157 -2.290 -4.861 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.013 -4.171 -3.418 1.00 0.00 C ATOM 0 H LEU A 61 8.346 -4.602 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 61 7.339 -2.910 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.166 -2.461 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.587 -1.165 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 61 5.740 -2.120 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.135 -2.592 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.188 -1.213 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.494 -2.805 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.983 -4.459 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.370 -4.710 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.639 -4.419 -2.561 1.00 0.00 H new ATOM 990 N GLU A 62 9.286 -1.381 -6.546 1.00 0.00 N ATOM 991 CA GLU A 62 10.513 -0.711 -7.077 1.00 0.00 C ATOM 992 C GLU A 62 10.656 0.682 -6.465 1.00 0.00 C ATOM 993 O GLU A 62 9.686 1.353 -6.168 1.00 0.00 O ATOM 994 CB GLU A 62 10.394 -0.595 -8.595 1.00 0.00 C ATOM 995 CG GLU A 62 10.303 -1.998 -9.203 1.00 0.00 C ATOM 996 CD GLU A 62 11.601 -2.764 -8.939 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.598 -2.122 -8.652 1.00 0.00 O ATOM 998 OE2 GLU A 62 11.575 -3.981 -9.021 1.00 0.00 O ATOM 0 H GLU A 62 8.408 -1.021 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 62 11.392 -1.300 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.511 -0.014 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.257 -0.066 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.459 -2.536 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.123 -1.928 -10.276 1.00 0.00 H new ATOM 1005 N GLN A 63 11.872 1.102 -6.259 1.00 0.00 N ATOM 1006 CA GLN A 63 12.125 2.434 -5.645 1.00 0.00 C ATOM 1007 C GLN A 63 12.019 3.546 -6.694 1.00 0.00 C ATOM 1008 O GLN A 63 12.571 3.451 -7.772 1.00 0.00 O ATOM 1009 CB GLN A 63 13.534 2.432 -5.052 1.00 0.00 C ATOM 1010 CG GLN A 63 13.706 3.643 -4.137 1.00 0.00 C ATOM 1011 CD GLN A 63 15.137 3.675 -3.599 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.076 3.427 -4.327 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.344 3.973 -2.346 1.00 0.00 N ATOM 0 H GLN A 63 12.712 0.572 -6.493 1.00 0.00 H new ATOM 0 HA GLN A 63 11.380 2.620 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.702 1.513 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.276 2.458 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.492 4.560 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.996 3.592 -3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.555 4.181 -1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.295 3.998 -1.978 1.00 0.00 H new ATOM 1022 N GLY A 64 11.333 4.612 -6.370 1.00 0.00 N ATOM 1023 CA GLY A 64 11.207 5.753 -7.328 1.00 0.00 C ATOM 1024 C GLY A 64 9.974 5.570 -8.214 1.00 0.00 C ATOM 1025 O GLY A 64 9.629 6.442 -8.983 1.00 0.00 O ATOM 0 H GLY A 64 10.853 4.742 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.132 6.691 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.102 5.817 -7.947 1.00 0.00 H new ATOM 1029 N GLU A 65 9.312 4.441 -8.120 1.00 0.00 N ATOM 1030 CA GLU A 65 8.102 4.196 -8.971 1.00 0.00 C ATOM 1031 C GLU A 65 6.821 4.335 -8.145 1.00 0.00 C ATOM 1032 O GLU A 65 6.799 4.084 -6.952 1.00 0.00 O ATOM 1033 CB GLU A 65 8.184 2.791 -9.568 1.00 0.00 C ATOM 1034 CG GLU A 65 9.325 2.752 -10.587 1.00 0.00 C ATOM 1035 CD GLU A 65 9.425 1.354 -11.196 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.562 0.541 -10.909 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.362 1.120 -11.941 1.00 0.00 O ATOM 0 H GLU A 65 9.557 3.677 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 65 8.076 4.937 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.356 2.056 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.241 2.530 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.150 3.489 -11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.266 3.017 -10.104 1.00 0.00 H new ATOM 1044 N SER A 66 5.748 4.738 -8.785 1.00 0.00 N ATOM 1045 CA SER A 66 4.447 4.905 -8.073 1.00 0.00 C ATOM 1046 C SER A 66 3.613 3.640 -8.241 1.00 0.00 C ATOM 1047 O SER A 66 3.526 3.078 -9.319 1.00 0.00 O ATOM 1048 CB SER A 66 3.691 6.102 -8.658 1.00 0.00 C ATOM 1049 OG SER A 66 4.239 7.299 -8.125 1.00 0.00 O ATOM 0 H SER A 66 5.722 4.960 -9.780 1.00 0.00 H new ATOM 0 HA SER A 66 4.632 5.080 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.770 6.103 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.631 6.033 -8.416 1.00 0.00 H new ATOM 0 HG SER A 66 3.516 7.931 -7.930 1.00 0.00 H new ATOM 1055 N TYR A 67 2.996 3.195 -7.177 1.00 0.00 N ATOM 1056 CA TYR A 67 2.157 1.963 -7.233 1.00 0.00 C ATOM 1057 C TYR A 67 0.732 2.279 -6.800 1.00 0.00 C ATOM 1058 O TYR A 67 0.492 3.099 -5.923 1.00 0.00 O ATOM 1059 CB TYR A 67 2.751 0.911 -6.297 1.00 0.00 C ATOM 1060 CG TYR A 67 4.010 0.354 -6.911 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.925 -0.677 -7.852 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.257 0.866 -6.544 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.088 -1.199 -8.425 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.424 0.346 -7.117 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.338 -0.688 -8.057 1.00 0.00 C ATOM 1066 OH TYR A 67 7.487 -1.204 -8.618 1.00 0.00 O ATOM 0 H TYR A 67 3.039 3.640 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 67 2.140 1.585 -8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.971 1.354 -5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.031 0.111 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.960 -1.070 -8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.321 1.663 -5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.022 -1.996 -9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.388 0.742 -6.834 1.00 0.00 H new ATOM 0 HH TYR A 67 7.347 -2.148 -8.841 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.211 1.614 -7.416 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.649 1.811 -7.084 1.00 0.00 C ATOM 1078 C LEU A 68 -2.154 0.548 -6.389 1.00 0.00 C ATOM 1079 O LEU A 68 -2.252 -0.508 -6.987 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.419 2.069 -8.393 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.931 1.893 -8.198 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.417 2.793 -7.063 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.653 2.287 -9.489 1.00 0.00 C ATOM 0 H LEU A 68 -0.038 0.928 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.795 2.663 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.211 3.079 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.068 1.384 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.143 0.853 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.491 2.663 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.902 2.525 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.205 3.834 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.728 2.164 -9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.433 3.328 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.313 1.650 -10.305 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.471 0.653 -5.125 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.970 -0.531 -4.364 1.00 0.00 C ATOM 1097 C LEU A 69 -4.492 -0.505 -4.358 1.00 0.00 C ATOM 1098 O LEU A 69 -5.096 0.514 -4.087 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.456 -0.458 -2.923 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.927 -0.351 -2.915 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.430 -0.291 -1.466 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.311 -1.567 -3.624 1.00 0.00 C ATOM 0 H LEU A 69 -2.405 1.515 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.616 -1.450 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.891 0.403 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.769 -1.344 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.627 0.555 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.657 -0.215 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.859 0.580 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.735 -1.195 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.776 -1.482 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.609 -2.479 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.662 -1.603 -4.655 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.121 -1.615 -4.667 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.619 -1.659 -4.696 1.00 0.00 C ATOM 1116 C ARG A 70 -7.141 -2.749 -3.763 1.00 0.00 C ATOM 1117 O ARG A 70 -6.574 -3.822 -3.659 1.00 0.00 O ATOM 1118 CB ARG A 70 -7.081 -1.950 -6.123 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.703 -0.775 -7.023 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.065 -1.095 -8.473 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.544 -1.259 -8.595 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.312 -0.223 -8.825 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.795 0.971 -8.937 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.602 -0.387 -8.941 1.00 0.00 N ATOM 0 H ARG A 70 -4.660 -2.494 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.009 -0.697 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.618 -2.867 -6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.159 -2.107 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.225 0.126 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.635 -0.572 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.722 -0.295 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.560 -2.007 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.960 -2.185 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.787 1.101 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.399 1.773 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.008 -1.319 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.204 0.417 -9.120 1.00 0.00 H new ATOM 1138 N SER A 71 -8.232 -2.465 -3.095 1.00 0.00 N ATOM 1139 CA SER A 71 -8.855 -3.447 -2.159 1.00 0.00 C ATOM 1140 C SER A 71 -7.859 -3.863 -1.077 1.00 0.00 C ATOM 1141 O SER A 71 -7.471 -5.010 -0.994 1.00 0.00 O ATOM 1142 CB SER A 71 -9.333 -4.680 -2.931 1.00 0.00 C ATOM 1143 OG SER A 71 -9.566 -5.742 -2.017 1.00 0.00 O ATOM 0 H SER A 71 -8.726 -1.575 -3.162 1.00 0.00 H new ATOM 0 HA SER A 71 -9.711 -2.972 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.246 -4.449 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.585 -4.975 -3.667 1.00 0.00 H new ATOM 0 HG SER A 71 -8.710 -6.070 -1.672 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.457 -2.938 -0.234 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.494 -3.266 0.867 1.00 0.00 C ATOM 1151 C VAL A 72 -7.134 -2.921 2.208 1.00 0.00 C ATOM 1152 O VAL A 72 -8.086 -2.163 2.277 1.00 0.00 O ATOM 1153 CB VAL A 72 -5.203 -2.460 0.690 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.346 -3.117 -0.390 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.539 -1.025 0.275 1.00 0.00 C ATOM 0 H VAL A 72 -7.757 -1.964 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.254 -4.329 0.835 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.656 -2.439 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.426 -2.548 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.103 -4.137 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.897 -3.136 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.617 -0.457 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.087 -1.038 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.152 -0.558 1.045 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.616 -3.485 3.273 1.00 0.00 N ATOM 1166 CA VAL A 73 -7.178 -3.228 4.635 1.00 0.00 C ATOM 1167 C VAL A 73 -6.108 -2.578 5.513 1.00 0.00 C ATOM 1168 O VAL A 73 -4.968 -3.002 5.549 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.623 -4.559 5.251 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.415 -5.479 5.454 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.297 -4.296 6.598 1.00 0.00 C ATOM 0 H VAL A 73 -5.818 -4.120 3.255 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.034 -2.557 4.564 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.327 -5.045 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.745 -6.421 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.940 -5.673 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.700 -4.999 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.614 -5.242 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.592 -3.803 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.166 -3.655 6.451 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.473 -1.534 6.207 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.494 -0.824 7.077 1.00 0.00 C ATOM 1183 C VAL A 74 -5.433 -1.504 8.445 1.00 0.00 C ATOM 1184 O VAL A 74 -6.421 -1.616 9.141 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.941 0.631 7.242 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.821 1.442 7.899 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.261 1.223 5.864 1.00 0.00 C ATOM 0 H VAL A 74 -7.414 -1.140 6.208 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.504 -0.856 6.621 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.830 0.669 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.142 2.477 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.593 1.021 8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.930 1.406 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.580 2.259 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.371 1.184 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.060 0.647 5.397 1.00 0.00 H new ATOM 1197 N GLY A 75 -4.270 -1.961 8.829 1.00 0.00 N ATOM 1198 CA GLY A 75 -4.114 -2.645 10.148 1.00 0.00 C ATOM 1199 C GLY A 75 -3.556 -1.663 11.177 1.00 0.00 C ATOM 1200 O GLY A 75 -3.432 -0.481 10.919 1.00 0.00 O ATOM 0 H GLY A 75 -3.413 -1.889 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.077 -3.031 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.446 -3.500 10.048 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.217 -2.151 12.345 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.661 -1.271 13.416 1.00 0.00 C ATOM 1206 C GLU A 76 -1.190 -1.610 13.647 1.00 0.00 C ATOM 1207 O GLU A 76 -0.848 -2.724 13.991 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.445 -1.509 14.706 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.869 -0.985 14.527 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.688 -1.276 15.783 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.137 -1.846 16.708 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.857 -0.923 15.797 1.00 0.00 O ATOM 0 H GLU A 76 -3.304 -3.134 12.603 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.745 -0.227 13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.462 -2.572 14.945 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.960 -1.003 15.540 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.850 0.088 14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.334 -1.456 13.661 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.318 -0.649 13.468 1.00 0.00 N ATOM 1220 CA TYR A 77 1.141 -0.889 13.684 1.00 0.00 C ATOM 1221 C TYR A 77 1.574 -0.161 14.955 1.00 0.00 C ATOM 1222 O TYR A 77 2.133 0.919 14.900 1.00 0.00 O ATOM 1223 CB TYR A 77 1.924 -0.336 12.493 1.00 0.00 C ATOM 1224 CG TYR A 77 3.395 -0.613 12.689 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.891 -1.906 12.496 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.262 0.421 13.067 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.253 -2.169 12.680 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.625 0.158 13.251 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.121 -1.137 13.057 1.00 0.00 C ATOM 1230 OH TYR A 77 7.463 -1.397 13.238 1.00 0.00 O ATOM 0 H TYR A 77 -0.557 0.299 13.179 1.00 0.00 H new ATOM 0 HA TYR A 77 1.334 -1.957 13.782 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.576 -0.797 11.569 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.754 0.736 12.398 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.222 -2.702 12.205 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.879 1.420 13.216 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.635 -3.168 12.531 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.294 0.954 13.543 1.00 0.00 H new ATOM 0 HH TYR A 77 7.924 -0.572 13.497 1.00 0.00 H new ATOM 1240 N ASN A 78 1.316 -0.764 16.094 1.00 0.00 N ATOM 1241 CA ASN A 78 1.693 -0.156 17.411 1.00 0.00 C ATOM 1242 C ASN A 78 1.651 1.374 17.347 1.00 0.00 C ATOM 1243 O ASN A 78 0.636 1.991 17.595 1.00 0.00 O ATOM 1244 CB ASN A 78 3.108 -0.602 17.783 1.00 0.00 C ATOM 1245 CG ASN A 78 3.120 -2.105 18.065 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.134 -2.663 18.504 1.00 0.00 O ATOM 1247 ND2 ASN A 78 4.206 -2.791 17.829 1.00 0.00 N ATOM 0 H ASN A 78 0.851 -1.669 16.166 1.00 0.00 H new ATOM 0 HA ASN A 78 0.977 -0.490 18.162 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.798 -0.369 16.972 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.453 -0.055 18.661 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.226 -3.794 18.013 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.034 -2.324 17.460 1.00 0.00 H new ATOM 1254 N ASP A 79 2.759 1.982 17.021 1.00 0.00 N ATOM 1255 CA ASP A 79 2.814 3.466 16.946 1.00 0.00 C ATOM 1256 C ASP A 79 1.682 4.004 16.071 1.00 0.00 C ATOM 1257 O ASP A 79 0.777 4.655 16.556 1.00 0.00 O ATOM 1258 CB ASP A 79 4.148 3.883 16.327 1.00 0.00 C ATOM 1259 CG ASP A 79 4.232 5.409 16.275 1.00 0.00 C ATOM 1260 OD1 ASP A 79 3.250 6.049 16.616 1.00 0.00 O ATOM 1261 OD2 ASP A 79 5.274 5.913 15.890 1.00 0.00 O ATOM 0 H ASP A 79 3.635 1.508 16.802 1.00 0.00 H new ATOM 0 HA ASP A 79 2.711 3.871 17.953 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.974 3.483 16.914 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.240 3.469 15.323 1.00 0.00 H new ATOM 1266 N ARG A 80 1.736 3.756 14.780 1.00 0.00 N ATOM 1267 CA ARG A 80 0.675 4.275 13.853 1.00 0.00 C ATOM 1268 C ARG A 80 -0.006 3.118 13.125 1.00 0.00 C ATOM 1269 O ARG A 80 0.090 1.978 13.523 1.00 0.00 O ATOM 1270 CB ARG A 80 1.317 5.215 12.825 1.00 0.00 C ATOM 1271 CG ARG A 80 1.836 6.469 13.537 1.00 0.00 C ATOM 1272 CD ARG A 80 2.561 7.373 12.534 1.00 0.00 C ATOM 1273 NE ARG A 80 1.590 7.869 11.518 1.00 0.00 N ATOM 1274 CZ ARG A 80 2.004 8.563 10.489 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.273 8.842 10.352 1.00 0.00 N ATOM 1276 NH2 ARG A 80 1.146 8.983 9.600 1.00 0.00 N ATOM 0 H ARG A 80 2.472 3.214 14.328 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.072 4.814 14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.136 4.708 12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.588 5.491 12.063 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.006 7.009 13.993 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.514 6.187 14.342 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.021 8.214 13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.364 6.821 12.046 1.00 0.00 H new ATOM 0 HE ARG A 80 0.596 7.666 11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.944 8.519 11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.592 9.383 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.154 8.770 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.467 9.524 8.797 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.713 3.416 12.066 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.433 2.355 11.301 1.00 0.00 C ATOM 1292 C PHE A 81 -0.614 1.956 10.073 1.00 0.00 C ATOM 1293 O PHE A 81 0.283 2.663 9.661 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.781 2.907 10.845 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.564 3.375 12.046 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.390 2.481 12.736 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.465 4.705 12.470 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.118 2.917 13.849 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.191 5.141 13.584 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.019 4.247 14.273 1.00 0.00 C ATOM 0 H PHE A 81 -0.823 4.360 11.695 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.578 1.481 11.936 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.632 3.733 10.150 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.339 2.138 10.311 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.466 1.454 12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.828 5.395 11.937 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.756 2.227 14.381 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.113 6.167 13.912 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.581 4.584 15.132 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.914 0.825 9.487 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.155 0.370 8.282 1.00 0.00 C ATOM 1312 C GLN A 82 -1.107 -0.296 7.291 1.00 0.00 C ATOM 1313 O GLN A 82 -2.202 -0.694 7.638 1.00 0.00 O ATOM 1314 CB GLN A 82 0.920 -0.634 8.706 1.00 0.00 C ATOM 1315 CG GLN A 82 0.269 -1.810 9.439 1.00 0.00 C ATOM 1316 CD GLN A 82 1.352 -2.788 9.900 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.284 -3.315 10.991 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.355 -3.054 9.108 1.00 0.00 N ATOM 0 H GLN A 82 -1.655 0.194 9.792 1.00 0.00 H new ATOM 0 HA GLN A 82 0.314 1.232 7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.461 -0.993 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.649 -0.148 9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.298 -1.448 10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.437 -2.317 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.412 -2.611 8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.082 -3.705 9.406 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.690 -0.422 6.056 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.548 -1.064 5.015 1.00 0.00 C ATOM 1329 C VAL A 83 -0.969 -2.434 4.677 1.00 0.00 C ATOM 1330 O VAL A 83 0.216 -2.577 4.445 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.574 -0.180 3.761 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.551 0.978 3.979 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.175 0.385 3.493 1.00 0.00 C ATOM 0 H VAL A 83 0.219 -0.103 5.722 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.566 -1.181 5.387 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.891 -0.778 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.572 1.608 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.549 0.582 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.229 1.570 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.200 1.012 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.146 0.982 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.526 -0.436 3.340 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.798 -3.446 4.667 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.313 -4.829 4.368 1.00 0.00 C ATOM 1345 C GLN A 84 -1.762 -5.250 2.973 1.00 0.00 C ATOM 1346 O GLN A 84 -2.914 -5.108 2.611 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.893 -5.789 5.406 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.263 -5.487 6.766 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.808 -6.453 7.818 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.851 -7.646 7.601 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -2.226 -5.982 8.961 1.00 0.00 N ATOM 0 H GLN A 84 -2.798 -3.374 4.855 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.224 -4.851 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.976 -5.677 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.693 -6.821 5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.179 -5.579 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.480 -4.459 7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.190 -4.979 9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.589 -6.617 9.672 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.855 -5.771 2.185 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.213 -6.210 0.803 1.00 0.00 C ATOM 1362 C VAL A 85 -1.333 -7.732 0.784 1.00 0.00 C ATOM 1363 O VAL A 85 -0.414 -8.443 1.156 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.111 -5.773 -0.162 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.420 -6.303 -1.564 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.048 -4.246 -0.193 1.00 0.00 C ATOM 0 H VAL A 85 0.122 -5.911 2.442 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.160 -5.762 0.501 1.00 0.00 H new ATOM 0 HB VAL A 85 0.848 -6.172 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.366 -5.991 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.470 -7.392 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.377 -5.904 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.736 -3.928 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.006 -3.849 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.171 -3.871 0.807 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.467 -8.229 0.355 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.697 -9.706 0.304 1.00 0.00 C ATOM 1378 C ASN A 86 -3.107 -10.116 -1.110 1.00 0.00 C ATOM 1379 O ASN A 86 -3.152 -9.308 -2.019 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.827 -10.073 1.269 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.362 -9.878 2.713 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -2.309 -10.347 3.090 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.114 -9.205 3.542 1.00 0.00 N ATOM 0 H ASN A 86 -3.254 -7.665 0.033 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.779 -10.222 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.701 -9.452 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.129 -11.108 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.816 -9.073 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.999 -8.811 3.223 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.410 -11.370 -1.292 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.820 -11.873 -2.633 1.00 0.00 C ATOM 1392 C LYS A 87 -5.075 -11.136 -3.103 1.00 0.00 C ATOM 1393 O LYS A 87 -5.266 -10.905 -4.280 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.118 -13.370 -2.515 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.279 -13.587 -1.537 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.505 -15.084 -1.329 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.658 -15.289 -0.344 1.00 0.00 C ATOM 1398 NZ LYS A 87 -6.880 -16.745 -0.133 1.00 0.00 N ATOM 0 H LYS A 87 -3.391 -12.078 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.022 -11.702 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.372 -13.779 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.232 -13.901 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.058 -13.107 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.186 -13.123 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.734 -15.565 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.597 -15.551 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.430 -14.804 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.566 -14.824 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.664 -16.883 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.116 -17.195 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.015 -17.176 0.252 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.934 -10.776 -2.193 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.182 -10.064 -2.579 1.00 0.00 C ATOM 1414 C ASN A 88 -6.828 -8.716 -3.205 1.00 0.00 C ATOM 1415 O ASN A 88 -7.464 -8.268 -4.137 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.037 -9.833 -1.331 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.297 -9.050 -1.705 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.461 -8.645 -2.838 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.202 -8.817 -0.792 1.00 0.00 N ATOM 0 H ASN A 88 -5.825 -10.945 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.737 -10.665 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.311 -10.789 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.465 -9.284 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.045 -8.295 -1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.065 -9.157 0.160 1.00 0.00 H new ATOM 1426 N SER A 89 -5.830 -8.057 -2.686 1.00 0.00 N ATOM 1427 CA SER A 89 -5.449 -6.729 -3.237 1.00 0.00 C ATOM 1428 C SER A 89 -4.686 -6.898 -4.547 1.00 0.00 C ATOM 1429 O SER A 89 -4.222 -7.971 -4.875 1.00 0.00 O ATOM 1430 CB SER A 89 -4.564 -6.000 -2.230 1.00 0.00 C ATOM 1431 OG SER A 89 -4.039 -4.825 -2.834 1.00 0.00 O ATOM 0 H SER A 89 -5.262 -8.382 -1.904 1.00 0.00 H new ATOM 0 HA SER A 89 -6.354 -6.151 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.140 -5.740 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.752 -6.650 -1.904 1.00 0.00 H new ATOM 0 HG SER A 89 -4.774 -4.287 -3.195 1.00 0.00 H new ATOM 1437 N SER A 90 -4.556 -5.832 -5.296 1.00 0.00 N ATOM 1438 CA SER A 90 -3.821 -5.896 -6.597 1.00 0.00 C ATOM 1439 C SER A 90 -2.850 -4.720 -6.683 1.00 0.00 C ATOM 1440 O SER A 90 -3.009 -3.724 -6.003 1.00 0.00 O ATOM 1441 CB SER A 90 -4.823 -5.819 -7.748 1.00 0.00 C ATOM 1442 OG SER A 90 -5.437 -4.536 -7.749 1.00 0.00 O ATOM 0 H SER A 90 -4.930 -4.913 -5.060 1.00 0.00 H new ATOM 0 HA SER A 90 -3.266 -6.832 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.318 -5.994 -8.698 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.579 -6.597 -7.641 1.00 0.00 H new ATOM 0 HG SER A 90 -6.080 -4.481 -8.487 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.837 -4.836 -7.508 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.826 -3.740 -7.649 1.00 0.00 C ATOM 1450 C ILE A 91 -0.699 -3.332 -9.113 1.00 0.00 C ATOM 1451 O ILE A 91 -0.578 -4.166 -9.989 1.00 0.00 O ATOM 1452 CB ILE A 91 0.529 -4.239 -7.147 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.431 -4.535 -5.650 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.591 -3.166 -7.390 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.690 -5.265 -5.181 1.00 0.00 C ATOM 0 H ILE A 91 -1.666 -5.652 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.147 -2.879 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 91 0.807 -5.147 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.310 -3.605 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.450 -5.144 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.557 -3.522 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.656 -2.953 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.319 -2.257 -6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.614 -5.473 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.791 -6.203 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.564 -4.640 -5.367 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.724 -2.051 -9.382 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.597 -1.568 -10.792 1.00 0.00 C ATOM 1469 C GLU A 92 0.365 -0.379 -10.833 1.00 0.00 C ATOM 1470 O GLU A 92 0.301 0.514 -10.012 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.972 -1.138 -11.313 1.00 0.00 C ATOM 1472 CG GLU A 92 -3.036 -2.158 -10.890 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.702 -3.532 -11.479 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.920 -3.584 -12.414 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -3.238 -4.511 -10.984 1.00 0.00 O ATOM 0 H GLU A 92 -0.827 -1.315 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.211 -2.370 -11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.226 -0.152 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.948 -1.054 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.082 -2.220 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.019 -1.835 -11.232 1.00 0.00 H new ATOM 1482 N LYS A 93 1.258 -0.366 -11.785 1.00 0.00 N ATOM 1483 CA LYS A 93 2.230 0.758 -11.892 1.00 0.00 C ATOM 1484 C LYS A 93 1.602 1.918 -12.655 1.00 0.00 C ATOM 1485 O LYS A 93 0.968 1.730 -13.673 1.00 0.00 O ATOM 1486 CB LYS A 93 3.470 0.277 -12.643 1.00 0.00 C ATOM 1487 CG LYS A 93 4.297 -0.622 -11.729 1.00 0.00 C ATOM 1488 CD LYS A 93 5.476 -1.194 -12.515 1.00 0.00 C ATOM 1489 CE LYS A 93 6.285 -2.127 -11.614 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.397 -2.736 -12.396 1.00 0.00 N ATOM 0 H LYS A 93 1.356 -1.090 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 93 2.505 1.093 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.177 -0.268 -13.540 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.065 1.130 -12.969 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.658 -0.054 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.679 -1.430 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.115 -1.737 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.109 -0.386 -12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.685 -1.573 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.641 -2.908 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.946 -3.370 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.005 -3.278 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.017 -1.985 -12.761 1.00 0.00 H new ATOM 1504 N LEU A 94 1.786 3.119 -12.172 1.00 0.00 N ATOM 1505 CA LEU A 94 1.213 4.318 -12.865 1.00 0.00 C ATOM 1506 C LEU A 94 2.342 5.113 -13.520 1.00 0.00 C ATOM 1507 O LEU A 94 3.367 5.375 -12.922 1.00 0.00 O ATOM 1508 CB LEU A 94 0.470 5.194 -11.840 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.986 4.721 -11.706 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -1.022 3.217 -11.411 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -1.666 5.485 -10.566 1.00 0.00 C ATOM 0 H LEU A 94 2.311 3.325 -11.322 1.00 0.00 H new ATOM 0 HA LEU A 94 0.510 4.000 -13.635 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.970 5.140 -10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.495 6.237 -12.154 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.514 4.913 -12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.057 2.889 -11.317 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.542 2.675 -12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.492 3.016 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.699 5.151 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.135 5.296 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.649 6.553 -10.783 1.00 0.00 H new ATOM 1523 N SER A 95 2.151 5.502 -14.749 1.00 0.00 N ATOM 1524 CA SER A 95 3.192 6.286 -15.459 1.00 0.00 C ATOM 1525 C SER A 95 3.154 7.720 -14.940 1.00 0.00 C ATOM 1526 O SER A 95 3.885 8.575 -15.396 1.00 0.00 O ATOM 1527 CB SER A 95 2.908 6.273 -16.960 1.00 0.00 C ATOM 1528 OG SER A 95 1.689 6.961 -17.209 1.00 0.00 O ATOM 0 H SER A 95 1.311 5.308 -15.294 1.00 0.00 H new ATOM 0 HA SER A 95 4.176 5.851 -15.282 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.726 6.749 -17.501 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.841 5.247 -17.321 1.00 0.00 H new ATOM 0 HG SER A 95 1.502 6.958 -18.171 1.00 0.00 H new ATOM 1534 N GLU A 96 2.291 7.984 -13.987 1.00 0.00 N ATOM 1535 CA GLU A 96 2.174 9.360 -13.410 1.00 0.00 C ATOM 1536 C GLU A 96 2.730 9.352 -11.972 1.00 0.00 C ATOM 1537 O GLU A 96 2.030 8.999 -11.044 1.00 0.00 O ATOM 1538 CB GLU A 96 0.696 9.763 -13.374 1.00 0.00 C ATOM 1539 CG GLU A 96 0.572 11.242 -12.984 1.00 0.00 C ATOM 1540 CD GLU A 96 0.765 11.395 -11.473 1.00 0.00 C ATOM 1541 OE1 GLU A 96 0.116 10.670 -10.737 1.00 0.00 O ATOM 1542 OE2 GLU A 96 1.559 12.233 -11.078 1.00 0.00 O ATOM 0 H GLU A 96 1.656 7.296 -13.581 1.00 0.00 H new ATOM 0 HA GLU A 96 2.736 10.067 -14.020 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.239 9.595 -14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.157 9.142 -12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.317 11.832 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.406 11.624 -13.276 1.00 0.00 H new ATOM 1549 N PRO A 97 3.982 9.720 -11.780 1.00 0.00 N ATOM 1550 CA PRO A 97 4.611 9.726 -10.428 1.00 0.00 C ATOM 1551 C PRO A 97 4.168 10.925 -9.585 1.00 0.00 C ATOM 1552 O PRO A 97 3.709 11.924 -10.103 1.00 0.00 O ATOM 1553 CB PRO A 97 6.116 9.766 -10.725 1.00 0.00 C ATOM 1554 CG PRO A 97 6.237 10.452 -12.052 1.00 0.00 C ATOM 1555 CD PRO A 97 4.931 10.177 -12.816 1.00 0.00 C ATOM 0 HA PRO A 97 4.320 8.858 -9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.656 10.310 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.537 8.761 -10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.390 11.523 -11.921 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.096 10.073 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.569 11.074 -13.317 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.074 9.418 -13.585 1.00 0.00 H new ATOM 1563 N ILE A 98 4.298 10.826 -8.285 1.00 0.00 N ATOM 1564 CA ILE A 98 3.881 11.947 -7.386 1.00 0.00 C ATOM 1565 C ILE A 98 5.116 12.687 -6.875 1.00 0.00 C ATOM 1566 O ILE A 98 6.046 12.095 -6.364 1.00 0.00 O ATOM 1567 CB ILE A 98 3.097 11.373 -6.208 1.00 0.00 C ATOM 1568 CG1 ILE A 98 1.842 10.673 -6.740 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.693 12.508 -5.267 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.217 9.822 -5.635 1.00 0.00 C ATOM 0 H ILE A 98 4.678 10.010 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 98 3.254 12.647 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 98 3.713 10.657 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.123 11.413 -7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.098 10.046 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.133 12.101 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.587 13.011 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.070 13.223 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.325 9.326 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.935 9.072 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 98 0.945 10.460 -4.794 1.00 0.00 H new ATOM 1582 N GLU A 99 5.130 13.983 -7.027 1.00 0.00 N ATOM 1583 CA GLU A 99 6.301 14.782 -6.572 1.00 0.00 C ATOM 1584 C GLU A 99 6.402 14.749 -5.047 1.00 0.00 C ATOM 1585 O GLU A 99 5.418 14.860 -4.343 1.00 0.00 O ATOM 1586 CB GLU A 99 6.140 16.227 -7.052 1.00 0.00 C ATOM 1587 CG GLU A 99 4.902 16.862 -6.410 1.00 0.00 C ATOM 1588 CD GLU A 99 4.681 18.254 -7.004 1.00 0.00 C ATOM 1589 OE1 GLU A 99 4.320 18.330 -8.167 1.00 0.00 O ATOM 1590 OE2 GLU A 99 4.878 19.221 -6.288 1.00 0.00 O ATOM 0 H GLU A 99 4.376 14.525 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 99 7.213 14.356 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.028 16.804 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.048 16.249 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.027 16.237 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.034 16.932 -5.330 1.00 0.00 H new ATOM 1597 N VAL A 100 7.597 14.604 -4.535 1.00 0.00 N ATOM 1598 CA VAL A 100 7.796 14.567 -3.057 1.00 0.00 C ATOM 1599 C VAL A 100 8.302 15.932 -2.589 1.00 0.00 C ATOM 1600 O VAL A 100 9.042 16.038 -1.632 1.00 0.00 O ATOM 1601 CB VAL A 100 8.820 13.481 -2.714 1.00 0.00 C ATOM 1602 CG1 VAL A 100 8.161 12.108 -2.853 1.00 0.00 C ATOM 1603 CG2 VAL A 100 10.006 13.571 -3.678 1.00 0.00 C ATOM 0 H VAL A 100 8.451 14.509 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 100 6.855 14.341 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 100 9.172 13.622 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.885 11.331 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.314 12.040 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.814 11.973 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.734 12.798 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.656 13.428 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.474 14.551 -3.588 1.00 0.00 H new ATOM 1613 N GLY A 101 7.894 16.983 -3.261 1.00 0.00 N ATOM 1614 CA GLY A 101 8.327 18.361 -2.867 1.00 0.00 C ATOM 1615 C GLY A 101 9.415 18.867 -3.815 1.00 0.00 C ATOM 1616 O GLY A 101 10.417 18.217 -4.035 1.00 0.00 O ATOM 0 H GLY A 101 7.275 16.944 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.473 19.038 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.702 18.353 -1.844 1.00 0.00 H new ATOM 1620 N LEU A 102 9.223 20.035 -4.371 1.00 0.00 N ATOM 1621 CA LEU A 102 10.237 20.612 -5.297 1.00 0.00 C ATOM 1622 C LEU A 102 11.249 21.416 -4.472 1.00 0.00 C ATOM 1623 O LEU A 102 12.212 21.942 -4.990 1.00 0.00 O ATOM 1624 CB LEU A 102 9.532 21.534 -6.302 1.00 0.00 C ATOM 1625 CG LEU A 102 8.889 20.694 -7.414 1.00 0.00 C ATOM 1626 CD1 LEU A 102 7.816 19.780 -6.816 1.00 0.00 C ATOM 1627 CD2 LEU A 102 8.245 21.626 -8.445 1.00 0.00 C ATOM 0 H LEU A 102 8.399 20.617 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 102 10.753 19.820 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.771 22.126 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.248 22.235 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 102 9.654 20.085 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.362 19.185 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.272 19.117 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.050 20.386 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.787 21.032 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.481 22.234 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.007 22.276 -8.874 1.00 0.00 H new ATOM 1639 N GLU A 103 11.029 21.506 -3.186 1.00 0.00 N ATOM 1640 CA GLU A 103 11.965 22.267 -2.309 1.00 0.00 C ATOM 1641 C GLU A 103 13.198 21.409 -2.020 1.00 0.00 C ATOM 1642 O GLU A 103 14.140 21.848 -1.392 1.00 0.00 O ATOM 1643 CB GLU A 103 11.254 22.620 -0.998 1.00 0.00 C ATOM 1644 CG GLU A 103 10.883 21.339 -0.247 1.00 0.00 C ATOM 1645 CD GLU A 103 10.058 21.691 0.992 1.00 0.00 C ATOM 1646 OE1 GLU A 103 9.209 22.562 0.887 1.00 0.00 O ATOM 1647 OE2 GLU A 103 10.288 21.084 2.025 1.00 0.00 O ATOM 0 H GLU A 103 10.236 21.082 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 103 12.277 23.185 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.901 23.241 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.357 23.203 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.314 20.675 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.786 20.802 0.045 1.00 0.00 H new ATOM 1654 N HIS A 104 13.194 20.186 -2.474 1.00 0.00 N ATOM 1655 CA HIS A 104 14.357 19.288 -2.234 1.00 0.00 C ATOM 1656 C HIS A 104 15.582 19.836 -2.963 1.00 0.00 C ATOM 1657 O HIS A 104 16.683 19.817 -2.450 1.00 0.00 O ATOM 1658 CB HIS A 104 14.033 17.893 -2.775 1.00 0.00 C ATOM 1659 CG HIS A 104 15.189 16.968 -2.516 1.00 0.00 C ATOM 1660 ND1 HIS A 104 15.374 16.338 -1.297 1.00 0.00 N ATOM 1661 CD2 HIS A 104 16.229 16.555 -3.313 1.00 0.00 C ATOM 1662 CE1 HIS A 104 16.487 15.587 -1.391 1.00 0.00 C ATOM 1663 NE2 HIS A 104 17.047 15.684 -2.600 1.00 0.00 N ATOM 0 H HIS A 104 12.429 19.768 -3.004 1.00 0.00 H new ATOM 0 HA HIS A 104 14.563 19.233 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.132 17.507 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 104 13.829 17.945 -3.845 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.388 16.860 -4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.879 14.981 -0.588 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.893 15.219 -2.930 1.00 0.00 H new ATOM 1671 N HIS A 105 15.399 20.311 -4.163 1.00 0.00 N ATOM 1672 CA HIS A 105 16.549 20.845 -4.941 1.00 0.00 C ATOM 1673 C HIS A 105 16.956 22.221 -4.414 1.00 0.00 C ATOM 1674 O HIS A 105 16.142 23.110 -4.261 1.00 0.00 O ATOM 1675 CB HIS A 105 16.149 20.963 -6.413 1.00 0.00 C ATOM 1676 CG HIS A 105 17.360 21.306 -7.236 1.00 0.00 C ATOM 1677 ND1 HIS A 105 17.730 22.615 -7.499 1.00 0.00 N ATOM 1678 CD2 HIS A 105 18.294 20.519 -7.864 1.00 0.00 C ATOM 1679 CE1 HIS A 105 18.842 22.578 -8.255 1.00 0.00 C ATOM 1680 NE2 HIS A 105 19.230 21.324 -8.506 1.00 0.00 N ATOM 0 H HIS A 105 14.498 20.352 -4.640 1.00 0.00 H new ATOM 0 HA HIS A 105 17.394 20.165 -4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.715 20.025 -6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.385 21.731 -6.533 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.301 19.439 -7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 105 19.359 23.455 -8.615 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.038 21.022 -9.051 1.00 0.00 H new ATOM 1688 N HIS A 106 18.221 22.397 -4.148 1.00 0.00 N ATOM 1689 CA HIS A 106 18.722 23.706 -3.645 1.00 0.00 C ATOM 1690 C HIS A 106 20.179 23.856 -4.082 1.00 0.00 C ATOM 1691 O HIS A 106 20.913 24.682 -3.577 1.00 0.00 O ATOM 1692 CB HIS A 106 18.626 23.743 -2.115 1.00 0.00 C ATOM 1693 CG HIS A 106 19.449 22.631 -1.520 1.00 0.00 C ATOM 1694 ND1 HIS A 106 18.978 21.330 -1.426 1.00 0.00 N ATOM 1695 CD2 HIS A 106 20.707 22.613 -0.971 1.00 0.00 C ATOM 1696 CE1 HIS A 106 19.938 20.591 -0.840 1.00 0.00 C ATOM 1697 NE2 HIS A 106 21.014 21.325 -0.542 1.00 0.00 N ATOM 0 H HIS A 106 18.937 21.680 -4.260 1.00 0.00 H new ATOM 0 HA HIS A 106 18.124 24.523 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.978 24.706 -1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.586 23.642 -1.805 1.00 0.00 H new ATOM 0 HD1 HIS A 106 18.069 20.994 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 106 21.360 23.469 -0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 106 19.850 19.534 -0.636 1.00 0.00 H new ATOM 1705 N HIS A 107 20.602 23.044 -5.016 1.00 0.00 N ATOM 1706 CA HIS A 107 22.013 23.111 -5.491 1.00 0.00 C ATOM 1707 C HIS A 107 22.177 24.258 -6.492 1.00 0.00 C ATOM 1708 O HIS A 107 21.462 24.351 -7.470 1.00 0.00 O ATOM 1709 CB HIS A 107 22.382 21.781 -6.161 1.00 0.00 C ATOM 1710 CG HIS A 107 23.738 21.892 -6.805 1.00 0.00 C ATOM 1711 ND1 HIS A 107 24.910 21.884 -6.065 1.00 0.00 N ATOM 1712 CD2 HIS A 107 24.124 22.021 -8.116 1.00 0.00 C ATOM 1713 CE1 HIS A 107 25.935 22.004 -6.927 1.00 0.00 C ATOM 1714 NE2 HIS A 107 25.512 22.091 -8.191 1.00 0.00 N ATOM 0 H HIS A 107 20.027 22.335 -5.471 1.00 0.00 H new ATOM 0 HA HIS A 107 22.672 23.290 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 107 22.385 20.980 -5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 107 21.634 21.521 -6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 107 23.453 22.062 -8.961 1.00 0.00 H new ATOM 0 HE1 HIS A 107 26.974 22.027 -6.633 1.00 0.00 H new ATOM 0 HE2 HIS A 107 26.083 22.188 -9.030 1.00 0.00 H new ATOM 1722 N HIS A 108 23.125 25.125 -6.256 1.00 0.00 N ATOM 1723 CA HIS A 108 23.356 26.264 -7.188 1.00 0.00 C ATOM 1724 C HIS A 108 24.814 26.721 -7.092 1.00 0.00 C ATOM 1725 O HIS A 108 25.516 26.395 -6.154 1.00 0.00 O ATOM 1726 CB HIS A 108 22.429 27.424 -6.821 1.00 0.00 C ATOM 1727 CG HIS A 108 22.627 27.799 -5.377 1.00 0.00 C ATOM 1728 ND1 HIS A 108 23.846 28.236 -4.882 1.00 0.00 N ATOM 1729 CD2 HIS A 108 21.762 27.818 -4.310 1.00 0.00 C ATOM 1730 CE1 HIS A 108 23.681 28.497 -3.572 1.00 0.00 C ATOM 1731 NE2 HIS A 108 22.429 28.260 -3.173 1.00 0.00 N ATOM 0 H HIS A 108 23.752 25.092 -5.452 1.00 0.00 H new ATOM 0 HA HIS A 108 23.146 25.943 -8.208 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.635 28.282 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.391 27.140 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.721 27.533 -4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.466 28.855 -2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 108 22.045 28.378 -2.236 1.00 0.00 H new ATOM 1739 N HIS A 109 25.272 27.471 -8.056 1.00 0.00 N ATOM 1740 CA HIS A 109 26.679 27.956 -8.033 1.00 0.00 C ATOM 1741 C HIS A 109 26.786 29.204 -8.913 1.00 0.00 C ATOM 1742 O HIS A 109 25.753 29.677 -9.359 1.00 0.00 O ATOM 1743 CB HIS A 109 27.607 26.862 -8.572 1.00 0.00 C ATOM 1744 CG HIS A 109 29.021 27.373 -8.624 1.00 0.00 C ATOM 1745 ND1 HIS A 109 29.791 27.540 -7.484 1.00 0.00 N ATOM 1746 CD2 HIS A 109 29.818 27.757 -9.674 1.00 0.00 C ATOM 1747 CE1 HIS A 109 30.994 28.006 -7.872 1.00 0.00 C ATOM 1748 NE2 HIS A 109 31.063 28.156 -9.197 1.00 0.00 N ATOM 1749 OXT HIS A 109 27.893 29.665 -9.127 1.00 0.00 O ATOM 0 H HIS A 109 24.727 27.770 -8.864 1.00 0.00 H new ATOM 0 HA HIS A 109 26.972 28.199 -7.012 1.00 0.00 H new ATOM 0 HB2 HIS A 109 27.553 25.980 -7.934 1.00 0.00 H new ATOM 0 HB3 HIS A 109 27.284 26.556 -9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 109 29.523 27.750 -10.713 1.00 0.00 H new ATOM 0 HE1 HIS A 109 31.804 28.231 -7.194 1.00 0.00 H new ATOM 0 HE2 HIS A 109 31.857 28.491 -9.742 1.00 0.00 H new TER 1757 HIS A 109