USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -1.48 K(o=-5.7,f=-9!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -4.17 K(o=-5.7,f=-7.7!) USER MOD Set 2.1: A 19 HIS :FLIP no HD1:sc= -9.73! C(o=-12!,f=-11!) USER MOD Set 2.2: A 71 TYR OH : rot 2:sc= -1.27 USER MOD Set 3.1: A 32 THR OG1 : rot -150:sc= -0.19 USER MOD Set 3.2: A 89 GLN : amide:sc= -2.31! C(o=-2.5!,f=-7.4!) USER MOD Set 4.1: A 10 MET CE :methyl 166:sc= -9.15! (180deg=-9.8!) USER MOD Set 4.2: A 70 MET CE :methyl -136:sc= -1.89 (180deg=-3.49!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -129:sc= 0.42 (180deg=-0.297) USER MOD Set 5.2: A 9 GLN :FLIP amide:sc= -1.58! F(o=-3.3,f=-1.2!) USER MOD Set 6.1: A 6 THR OG1 : rot -26:sc= 0.25 USER MOD Set 6.2: A 38 HIS :FLIP no HD1:sc= -0.754 F(o=-1.7,f=-0.5) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -160:sc= -2.23! USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.0988 (180deg=-0.549) USER MOD Single : A 31 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.9) USER MOD Single : A 33 GLN : amide:sc= -4.63! C(o=-4.6!,f=-9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -3.78! C(o=-3.8!,f=-8.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -0:sc= 0.579 USER MOD Single : A 56 THR OG1 : rot -90:sc= -0.966 USER MOD Single : A 60 ASN : amide:sc= -0.326 K(o=-0.33,f=-4.3!) USER MOD Single : A 64 SER OG : rot -107:sc= 0.384 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0375 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.83 F(o=-1.5!,f=-0.83) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.559 -4.138 -7.879 1.00 0.00 N ATOM 32 CA LEU A 3 -0.360 -4.295 -6.758 1.00 0.00 C ATOM 33 C LEU A 3 -1.553 -5.160 -7.149 1.00 0.00 C ATOM 34 O LEU A 3 -2.334 -4.802 -8.030 1.00 0.00 O ATOM 35 CB LEU A 3 -0.839 -2.929 -6.266 1.00 0.00 C ATOM 36 CG LEU A 3 -1.926 -2.972 -5.188 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.889 -1.712 -4.340 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.298 -3.152 -5.821 1.00 0.00 C ATOM 0 HA LEU A 3 0.175 -4.793 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.018 -2.380 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.217 -2.365 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.732 -3.826 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.669 -1.762 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.916 -1.627 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.056 -0.841 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.058 -3.180 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.500 -2.319 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.320 -4.086 -6.383 1.00 0.00 H new ATOM 44 N ASN A 4 -1.683 -6.301 -6.484 1.00 0.00 N ATOM 45 CA ASN A 4 -2.778 -7.225 -6.757 1.00 0.00 C ATOM 46 C ASN A 4 -3.950 -6.990 -5.810 1.00 0.00 C ATOM 47 O ASN A 4 -3.800 -6.374 -4.752 1.00 0.00 O ATOM 48 CB ASN A 4 -2.294 -8.667 -6.627 1.00 0.00 C ATOM 49 CG ASN A 4 -1.013 -8.920 -7.397 1.00 0.00 C ATOM 50 OD1 ASN A 4 0.055 -9.091 -6.809 1.00 0.00 O ATOM 51 ND2 ASN A 4 -1.113 -8.944 -8.722 1.00 0.00 N ATOM 0 H ASN A 4 -1.044 -6.609 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.120 -7.046 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.134 -8.900 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.070 -9.342 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.284 -9.109 -9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.019 -8.797 -9.168 1.00 0.00 H new ATOM 56 N ILE A 5 -5.119 -7.489 -6.198 1.00 0.00 N ATOM 57 CA ILE A 5 -6.322 -7.341 -5.387 1.00 0.00 C ATOM 58 C ILE A 5 -6.909 -8.699 -5.020 1.00 0.00 C ATOM 59 O ILE A 5 -6.482 -9.734 -5.532 1.00 0.00 O ATOM 60 CB ILE A 5 -7.408 -6.501 -6.100 1.00 0.00 C ATOM 61 CG1 ILE A 5 -7.075 -6.306 -7.586 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.568 -5.160 -5.404 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.941 -5.335 -7.842 1.00 0.00 C ATOM 0 H ILE A 5 -5.259 -8.000 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.016 -6.817 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.352 -7.043 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.817 -7.272 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.966 -5.952 -8.104 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.334 -4.575 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.863 -5.321 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.621 -4.620 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.768 -5.253 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.203 -4.356 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.035 -5.697 -7.355 1.00 0.00 H new ATOM 67 N THR A 6 -7.895 -8.683 -4.130 1.00 0.00 N ATOM 68 CA THR A 6 -8.551 -9.907 -3.687 1.00 0.00 C ATOM 69 C THR A 6 -9.881 -9.590 -3.014 1.00 0.00 C ATOM 70 O THR A 6 -10.254 -10.221 -2.025 1.00 0.00 O ATOM 71 CB THR A 6 -7.646 -10.677 -2.724 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.343 -10.818 -3.264 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.160 -12.063 -2.398 1.00 0.00 C ATOM 0 H THR A 6 -8.258 -7.832 -3.700 1.00 0.00 H new ATOM 0 HA THR A 6 -8.744 -10.528 -4.562 1.00 0.00 H new ATOM 0 HB THR A 6 -7.632 -10.087 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.389 -10.785 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.471 -12.554 -1.711 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.143 -11.987 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.236 -12.648 -3.315 1.00 0.00 H new ATOM 78 N SER A 7 -10.593 -8.605 -3.556 1.00 0.00 N ATOM 79 CA SER A 7 -11.884 -8.200 -3.010 1.00 0.00 C ATOM 80 C SER A 7 -12.805 -9.407 -2.841 1.00 0.00 C ATOM 81 O SER A 7 -13.048 -10.155 -3.790 1.00 0.00 O ATOM 82 CB SER A 7 -12.534 -7.152 -3.914 1.00 0.00 C ATOM 83 OG SER A 7 -11.587 -6.587 -4.803 1.00 0.00 O ATOM 0 H SER A 7 -10.297 -8.072 -4.374 1.00 0.00 H new ATOM 0 HA SER A 7 -11.719 -7.760 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.343 -7.610 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.978 -6.366 -3.303 1.00 0.00 H new ATOM 0 HG SER A 7 -11.923 -5.729 -5.137 1.00 0.00 H new ATOM 89 N LYS A 8 -13.286 -9.609 -1.618 1.00 0.00 N ATOM 90 CA LYS A 8 -14.149 -10.746 -1.307 1.00 0.00 C ATOM 91 C LYS A 8 -15.554 -10.619 -1.904 1.00 0.00 C ATOM 92 O LYS A 8 -16.087 -11.591 -2.441 1.00 0.00 O ATOM 93 CB LYS A 8 -14.237 -10.940 0.212 1.00 0.00 C ATOM 94 CG LYS A 8 -15.245 -10.031 0.900 1.00 0.00 C ATOM 95 CD LYS A 8 -14.969 -9.926 2.391 1.00 0.00 C ATOM 96 CE LYS A 8 -15.799 -10.924 3.183 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.248 -10.581 3.164 1.00 0.00 N ATOM 0 H LYS A 8 -13.093 -8.999 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.692 -11.621 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.499 -11.977 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.253 -10.767 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.208 -9.039 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.252 -10.416 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.910 -10.102 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.190 -8.915 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.657 -11.923 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.446 -10.952 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.616 -10.573 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.377 -9.641 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.765 -11.289 2.605 1.00 0.00 H new ATOM 111 N GLN A 9 -16.164 -9.442 -1.795 1.00 0.00 N ATOM 112 CA GLN A 9 -17.518 -9.250 -2.315 1.00 0.00 C ATOM 113 C GLN A 9 -17.543 -8.384 -3.574 1.00 0.00 C ATOM 114 O GLN A 9 -17.834 -8.877 -4.663 1.00 0.00 O ATOM 115 CB GLN A 9 -18.442 -8.656 -1.242 1.00 0.00 C ATOM 116 CG GLN A 9 -17.844 -7.492 -0.466 1.00 0.00 C ATOM 117 CD GLN A 9 -18.370 -7.408 0.953 1.00 0.00 C ATOM 118 OE1 GLN A 9 -17.542 -7.798 1.914 1.00 0.00 O flip ATOM 119 NE2 GLN A 9 -19.507 -6.997 1.182 1.00 0.00 N flip ATOM 0 H GLN A 9 -15.752 -8.617 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.887 -10.238 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.364 -8.323 -1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.714 -9.443 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.759 -7.595 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.065 -6.561 -0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.109 -6.707 0.412 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.847 -6.946 2.142 1.00 0.00 H new ATOM 126 N MET A 10 -17.253 -7.098 -3.425 1.00 0.00 N ATOM 127 CA MET A 10 -17.264 -6.184 -4.561 1.00 0.00 C ATOM 128 C MET A 10 -16.023 -6.366 -5.423 1.00 0.00 C ATOM 129 O MET A 10 -14.903 -6.133 -4.971 1.00 0.00 O ATOM 130 CB MET A 10 -17.354 -4.737 -4.089 1.00 0.00 C ATOM 131 CG MET A 10 -16.343 -4.382 -3.016 1.00 0.00 C ATOM 132 SD MET A 10 -15.686 -2.718 -3.204 1.00 0.00 S ATOM 133 CE MET A 10 -15.232 -2.360 -1.511 1.00 0.00 C ATOM 0 H MET A 10 -17.008 -6.665 -2.534 1.00 0.00 H new ATOM 0 HA MET A 10 -18.143 -6.417 -5.162 1.00 0.00 H new ATOM 0 HB2 MET A 10 -17.211 -4.076 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.357 -4.551 -3.706 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.812 -4.475 -2.036 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.522 -5.098 -3.045 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.589 -1.480 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 10 -16.132 -2.170 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.698 -3.212 -1.090 1.00 0.00 H new ATOM 143 N ASP A 11 -16.229 -6.777 -6.668 1.00 0.00 N ATOM 144 CA ASP A 11 -15.122 -6.979 -7.590 1.00 0.00 C ATOM 145 C ASP A 11 -14.344 -5.682 -7.777 1.00 0.00 C ATOM 146 O ASP A 11 -14.637 -4.676 -7.130 1.00 0.00 O ATOM 147 CB ASP A 11 -15.634 -7.487 -8.939 1.00 0.00 C ATOM 148 CG ASP A 11 -16.760 -6.633 -9.489 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.782 -5.419 -9.195 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.619 -7.178 -10.212 1.00 0.00 O ATOM 0 H ASP A 11 -17.149 -6.976 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.454 -7.730 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.811 -7.503 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.981 -8.514 -8.829 1.00 0.00 H new ATOM 155 N ILE A 12 -13.353 -5.703 -8.662 1.00 0.00 N ATOM 156 CA ILE A 12 -12.549 -4.514 -8.917 1.00 0.00 C ATOM 157 C ILE A 12 -12.917 -3.877 -10.250 1.00 0.00 C ATOM 158 O ILE A 12 -13.334 -4.558 -11.187 1.00 0.00 O ATOM 159 CB ILE A 12 -11.024 -4.802 -8.904 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.736 -6.306 -8.811 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.356 -4.061 -7.752 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.132 -6.922 -7.487 1.00 0.00 C ATOM 0 H ILE A 12 -13.089 -6.522 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.772 -3.827 -8.101 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.609 -4.443 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.267 -6.819 -9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.672 -6.474 -8.975 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.287 -4.272 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.515 -2.989 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.788 -4.391 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.898 -7.987 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.582 -6.437 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.202 -6.787 -7.328 1.00 0.00 H new ATOM 166 N THR A 13 -12.755 -2.564 -10.318 1.00 0.00 N ATOM 167 CA THR A 13 -13.062 -1.809 -11.523 1.00 0.00 C ATOM 168 C THR A 13 -12.034 -0.698 -11.723 1.00 0.00 C ATOM 169 O THR A 13 -11.205 -0.450 -10.848 1.00 0.00 O ATOM 170 CB THR A 13 -14.470 -1.216 -11.426 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.894 -1.147 -10.076 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.508 -2.008 -12.191 1.00 0.00 C ATOM 0 H THR A 13 -12.409 -1.995 -9.545 1.00 0.00 H new ATOM 0 HA THR A 13 -13.022 -2.481 -12.380 1.00 0.00 H new ATOM 0 HB THR A 13 -14.395 -0.223 -11.868 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.795 -0.764 -10.035 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.483 -1.533 -12.080 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.237 -2.038 -13.246 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.553 -3.024 -11.798 1.00 0.00 H new ATOM 177 N PRO A 14 -12.069 -0.012 -12.878 1.00 0.00 N ATOM 178 CA PRO A 14 -11.132 1.072 -13.181 1.00 0.00 C ATOM 179 C PRO A 14 -10.897 2.001 -11.993 1.00 0.00 C ATOM 180 O PRO A 14 -9.764 2.390 -11.715 1.00 0.00 O ATOM 181 CB PRO A 14 -11.835 1.819 -14.308 1.00 0.00 C ATOM 182 CG PRO A 14 -12.602 0.764 -15.030 1.00 0.00 C ATOM 183 CD PRO A 14 -13.022 -0.240 -13.986 1.00 0.00 C ATOM 0 HA PRO A 14 -10.141 0.697 -13.438 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.495 2.595 -13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.119 2.310 -14.966 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.471 1.189 -15.533 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.988 0.293 -15.798 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.052 -0.080 -13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.960 -1.261 -14.364 1.00 0.00 H new ATOM 191 N ALA A 15 -11.972 2.357 -11.296 1.00 0.00 N ATOM 192 CA ALA A 15 -11.874 3.244 -10.141 1.00 0.00 C ATOM 193 C ALA A 15 -10.888 2.700 -9.112 1.00 0.00 C ATOM 194 O ALA A 15 -9.727 3.109 -9.083 1.00 0.00 O ATOM 195 CB ALA A 15 -13.244 3.453 -9.513 1.00 0.00 C ATOM 0 H ALA A 15 -12.919 2.046 -11.510 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.500 4.208 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.153 4.117 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.916 3.899 -10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.646 2.493 -9.189 1.00 0.00 H new ATOM 201 N ILE A 16 -11.346 1.772 -8.272 1.00 0.00 N ATOM 202 CA ILE A 16 -10.482 1.182 -7.259 1.00 0.00 C ATOM 203 C ILE A 16 -9.180 0.707 -7.884 1.00 0.00 C ATOM 204 O ILE A 16 -8.102 1.136 -7.485 1.00 0.00 O ATOM 205 CB ILE A 16 -11.150 -0.005 -6.539 1.00 0.00 C ATOM 206 CG1 ILE A 16 -12.022 -0.817 -7.511 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.954 0.487 -5.346 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.513 -0.634 -7.320 1.00 0.00 C ATOM 0 H ILE A 16 -12.302 1.417 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.286 1.962 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.371 -0.671 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.762 -0.538 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.781 -1.874 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.421 -0.362 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.292 1.000 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.726 1.176 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.050 -1.243 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.791 -0.942 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.772 0.415 -7.463 1.00 0.00 H new ATOM 212 N ARG A 17 -9.291 -0.171 -8.882 1.00 0.00 N ATOM 213 CA ARG A 17 -8.117 -0.696 -9.580 1.00 0.00 C ATOM 214 C ARG A 17 -7.084 0.409 -9.784 1.00 0.00 C ATOM 215 O ARG A 17 -5.942 0.306 -9.333 1.00 0.00 O ATOM 216 CB ARG A 17 -8.525 -1.278 -10.934 1.00 0.00 C ATOM 217 CG ARG A 17 -7.438 -2.113 -11.592 1.00 0.00 C ATOM 218 CD ARG A 17 -7.955 -3.482 -12.006 1.00 0.00 C ATOM 219 NE ARG A 17 -6.877 -4.463 -12.117 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.994 -5.623 -12.760 1.00 0.00 C ATOM 221 NH1 ARG A 17 -8.137 -5.952 -13.348 1.00 0.00 N ATOM 222 NH2 ARG A 17 -5.964 -6.457 -12.813 1.00 0.00 N ATOM 0 H ARG A 17 -10.181 -0.533 -9.225 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.676 -1.485 -8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.414 -1.894 -10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.799 -0.462 -11.603 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.056 -1.588 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.603 -2.233 -10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.687 -3.829 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.471 -3.401 -12.963 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.983 -4.246 -11.676 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.932 -5.315 -13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.220 -6.842 -13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.084 -6.209 -12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.052 -7.346 -13.305 1.00 0.00 H new ATOM 236 N GLU A 18 -7.513 1.478 -10.450 1.00 0.00 N ATOM 237 CA GLU A 18 -6.650 2.625 -10.701 1.00 0.00 C ATOM 238 C GLU A 18 -6.190 3.235 -9.381 1.00 0.00 C ATOM 239 O GLU A 18 -5.031 3.623 -9.234 1.00 0.00 O ATOM 240 CB GLU A 18 -7.390 3.675 -11.535 1.00 0.00 C ATOM 241 CG GLU A 18 -6.587 4.943 -11.776 1.00 0.00 C ATOM 242 CD GLU A 18 -7.134 6.134 -11.013 1.00 0.00 C ATOM 243 OE1 GLU A 18 -8.360 6.180 -10.784 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.335 7.020 -10.643 1.00 0.00 O ATOM 0 H GLU A 18 -8.457 1.572 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.776 2.288 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.659 3.238 -12.497 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.321 3.936 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.551 4.774 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.584 5.170 -12.842 1.00 0.00 H new ATOM 251 N HIS A 19 -7.105 3.295 -8.418 1.00 0.00 N ATOM 252 CA HIS A 19 -6.799 3.832 -7.103 1.00 0.00 C ATOM 253 C HIS A 19 -5.713 2.986 -6.448 1.00 0.00 C ATOM 254 O HIS A 19 -4.586 3.442 -6.260 1.00 0.00 O ATOM 255 CB HIS A 19 -8.067 3.834 -6.252 1.00 0.00 C ATOM 256 CG HIS A 19 -8.030 4.764 -5.092 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.590 4.639 -3.880 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.391 5.984 -5.102 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.289 5.775 -3.168 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.563 6.573 -3.930 1.00 0.00 N flip ATOM 0 H HIS A 19 -8.068 2.976 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.435 4.855 -7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.914 4.097 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.245 2.823 -5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.838 6.394 -5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.595 5.981 -2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.198 7.487 -3.661 1.00 0.00 H new ATOM 269 N LEU A 20 -6.059 1.739 -6.131 1.00 0.00 N ATOM 270 CA LEU A 20 -5.114 0.801 -5.528 1.00 0.00 C ATOM 271 C LEU A 20 -3.776 0.849 -6.264 1.00 0.00 C ATOM 272 O LEU A 20 -2.723 1.054 -5.654 1.00 0.00 O ATOM 273 CB LEU A 20 -5.684 -0.621 -5.559 1.00 0.00 C ATOM 274 CG LEU A 20 -7.198 -0.718 -5.316 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.680 -2.161 -5.315 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.560 -0.038 -4.011 1.00 0.00 C ATOM 0 H LEU A 20 -6.991 1.354 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.952 1.090 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.457 -1.066 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.171 -1.219 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.700 -0.208 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.756 -2.185 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.459 -2.619 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.171 -2.714 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.635 -0.112 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.034 -0.524 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.272 1.012 -4.056 1.00 0.00 H new ATOM 282 N GLU A 21 -3.829 0.686 -7.586 1.00 0.00 N ATOM 283 CA GLU A 21 -2.624 0.737 -8.406 1.00 0.00 C ATOM 284 C GLU A 21 -1.884 2.047 -8.160 1.00 0.00 C ATOM 285 O GLU A 21 -0.723 2.051 -7.742 1.00 0.00 O ATOM 286 CB GLU A 21 -2.978 0.603 -9.888 1.00 0.00 C ATOM 287 CG GLU A 21 -3.438 -0.792 -10.281 1.00 0.00 C ATOM 288 CD GLU A 21 -3.906 -0.869 -11.721 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.536 0.023 -12.513 1.00 0.00 O ATOM 290 OE2 GLU A 21 -4.641 -1.821 -12.056 1.00 0.00 O ATOM 0 H GLU A 21 -4.690 0.519 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.977 -0.096 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.764 1.318 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.107 0.871 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.619 -1.496 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.249 -1.102 -9.622 1.00 0.00 H new ATOM 297 N GLU A 22 -2.574 3.160 -8.401 1.00 0.00 N ATOM 298 CA GLU A 22 -1.991 4.479 -8.182 1.00 0.00 C ATOM 299 C GLU A 22 -1.432 4.576 -6.766 1.00 0.00 C ATOM 300 O GLU A 22 -0.407 5.216 -6.532 1.00 0.00 O ATOM 301 CB GLU A 22 -3.035 5.576 -8.410 1.00 0.00 C ATOM 302 CG GLU A 22 -2.494 6.981 -8.204 1.00 0.00 C ATOM 303 CD GLU A 22 -3.478 7.885 -7.487 1.00 0.00 C ATOM 304 OE1 GLU A 22 -4.250 7.375 -6.648 1.00 0.00 O ATOM 305 OE2 GLU A 22 -3.478 9.103 -7.765 1.00 0.00 O ATOM 0 H GLU A 22 -3.534 3.174 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.180 4.620 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.424 5.490 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.873 5.415 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.569 6.930 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.245 7.416 -9.172 1.00 0.00 H new ATOM 312 N ARG A 23 -2.107 3.914 -5.826 1.00 0.00 N ATOM 313 CA ARG A 23 -1.667 3.906 -4.437 1.00 0.00 C ATOM 314 C ARG A 23 -0.306 3.233 -4.336 1.00 0.00 C ATOM 315 O ARG A 23 0.620 3.768 -3.728 1.00 0.00 O ATOM 316 CB ARG A 23 -2.677 3.187 -3.540 1.00 0.00 C ATOM 317 CG ARG A 23 -2.691 3.714 -2.116 1.00 0.00 C ATOM 318 CD ARG A 23 -2.975 5.208 -2.073 1.00 0.00 C ATOM 319 NE ARG A 23 -4.154 5.516 -1.267 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.517 6.751 -0.929 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.796 7.794 -1.323 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.605 6.944 -0.195 1.00 0.00 N ATOM 0 H ARG A 23 -2.957 3.379 -6.003 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.590 4.938 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.674 3.291 -3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.446 2.122 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.448 3.183 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.730 3.512 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.110 5.730 -1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.122 5.579 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.732 4.740 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.959 7.651 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.079 8.738 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.163 6.146 0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.884 7.890 0.065 1.00 0.00 H new ATOM 336 N LEU A 24 -0.185 2.064 -4.962 1.00 0.00 N ATOM 337 CA LEU A 24 1.078 1.336 -4.961 1.00 0.00 C ATOM 338 C LEU A 24 2.148 2.170 -5.652 1.00 0.00 C ATOM 339 O LEU A 24 3.223 2.415 -5.098 1.00 0.00 O ATOM 340 CB LEU A 24 0.928 -0.011 -5.669 1.00 0.00 C ATOM 341 CG LEU A 24 2.115 -0.962 -5.505 1.00 0.00 C ATOM 342 CD1 LEU A 24 1.898 -1.887 -4.317 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.336 -1.767 -6.778 1.00 0.00 C ATOM 0 H LEU A 24 -0.940 1.605 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 24 1.372 1.149 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.032 -0.504 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.770 0.170 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 24 3.009 -0.367 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.752 -2.556 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.792 -1.294 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.993 -2.475 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.184 -2.438 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.443 -2.352 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.539 -1.089 -7.607 1.00 0.00 H new ATOM 349 N ALA A 25 1.834 2.625 -6.865 1.00 0.00 N ATOM 350 CA ALA A 25 2.757 3.455 -7.628 1.00 0.00 C ATOM 351 C ALA A 25 3.159 4.675 -6.810 1.00 0.00 C ATOM 352 O ALA A 25 4.277 5.176 -6.924 1.00 0.00 O ATOM 353 CB ALA A 25 2.125 3.879 -8.945 1.00 0.00 C ATOM 0 H ALA A 25 0.950 2.432 -7.336 1.00 0.00 H new ATOM 0 HA ALA A 25 3.652 2.873 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.827 4.498 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.877 2.994 -9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.217 4.449 -8.746 1.00 0.00 H new ATOM 359 N LYS A 26 2.236 5.135 -5.970 1.00 0.00 N ATOM 360 CA LYS A 26 2.487 6.282 -5.111 1.00 0.00 C ATOM 361 C LYS A 26 3.382 5.875 -3.948 1.00 0.00 C ATOM 362 O LYS A 26 4.254 6.635 -3.525 1.00 0.00 O ATOM 363 CB LYS A 26 1.169 6.856 -4.584 1.00 0.00 C ATOM 364 CG LYS A 26 0.580 7.942 -5.468 1.00 0.00 C ATOM 365 CD LYS A 26 0.953 9.330 -4.970 1.00 0.00 C ATOM 366 CE LYS A 26 1.244 10.276 -6.124 1.00 0.00 C ATOM 367 NZ LYS A 26 1.044 11.700 -5.739 1.00 0.00 N ATOM 0 H LYS A 26 1.306 4.728 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 26 2.991 7.052 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.445 6.048 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.333 7.261 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.936 7.813 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.505 7.843 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.140 9.731 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.828 9.263 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.270 10.132 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.595 10.033 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.253 12.312 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.058 11.844 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.682 11.940 -4.953 1.00 0.00 H new ATOM 381 N LEU A 27 3.169 4.662 -3.442 1.00 0.00 N ATOM 382 CA LEU A 27 3.969 4.149 -2.338 1.00 0.00 C ATOM 383 C LEU A 27 5.349 3.714 -2.828 1.00 0.00 C ATOM 384 O LEU A 27 6.239 3.431 -2.028 1.00 0.00 O ATOM 385 CB LEU A 27 3.255 2.982 -1.639 1.00 0.00 C ATOM 386 CG LEU A 27 2.605 3.334 -0.296 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.111 2.078 0.405 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.582 4.092 0.596 1.00 0.00 C ATOM 0 H LEU A 27 2.451 4.020 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 27 4.097 4.953 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.487 2.593 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.974 2.179 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 27 1.749 3.980 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.653 2.349 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.374 1.577 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.951 1.407 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.099 4.331 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.460 3.473 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.886 5.014 0.101 1.00 0.00 H new ATOM 394 N GLY A 28 5.529 3.673 -4.148 1.00 0.00 N ATOM 395 CA GLY A 28 6.810 3.284 -4.710 1.00 0.00 C ATOM 396 C GLY A 28 7.932 4.216 -4.289 1.00 0.00 C ATOM 397 O GLY A 28 9.057 3.778 -4.051 1.00 0.00 O ATOM 0 H GLY A 28 4.811 3.902 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.048 2.268 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.739 3.273 -5.798 1.00 0.00 H new ATOM 401 N LYS A 29 7.619 5.504 -4.195 1.00 0.00 N ATOM 402 CA LYS A 29 8.601 6.509 -3.797 1.00 0.00 C ATOM 403 C LYS A 29 9.183 6.194 -2.420 1.00 0.00 C ATOM 404 O LYS A 29 10.271 6.654 -2.072 1.00 0.00 O ATOM 405 CB LYS A 29 7.949 7.897 -3.786 1.00 0.00 C ATOM 406 CG LYS A 29 8.832 8.994 -3.209 1.00 0.00 C ATOM 407 CD LYS A 29 8.018 10.223 -2.833 1.00 0.00 C ATOM 408 CE LYS A 29 8.055 10.480 -1.334 1.00 0.00 C ATOM 409 NZ LYS A 29 9.444 10.690 -0.841 1.00 0.00 N ATOM 0 H LYS A 29 6.690 5.878 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 29 9.416 6.497 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.674 8.166 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.025 7.848 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.353 8.618 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.595 9.270 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.406 11.093 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.985 10.089 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.451 11.357 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.607 9.636 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.426 11.313 -0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.862 9.774 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.016 11.129 -1.590 1.00 0.00 H new ATOM 423 N TRP A 30 8.451 5.408 -1.640 1.00 0.00 N ATOM 424 CA TRP A 30 8.880 5.033 -0.307 1.00 0.00 C ATOM 425 C TRP A 30 9.994 4.000 -0.368 1.00 0.00 C ATOM 426 O TRP A 30 9.747 2.841 -0.683 1.00 0.00 O ATOM 427 CB TRP A 30 7.698 4.485 0.482 1.00 0.00 C ATOM 428 CG TRP A 30 6.724 5.548 0.881 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.754 6.118 0.109 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.643 6.176 2.155 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.067 7.060 0.838 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.598 7.115 2.101 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.355 6.029 3.338 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.254 7.905 3.196 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.018 6.812 4.420 1.00 0.00 C ATOM 436 CH2 TRP A 30 5.975 7.741 4.345 1.00 0.00 C ATOM 0 H TRP A 30 7.550 5.017 -1.915 1.00 0.00 H new ATOM 0 HA TRP A 30 9.266 5.920 0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.184 3.734 -0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.066 3.982 1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.555 5.866 -0.922 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.290 7.625 0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.160 5.312 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.447 8.621 3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.569 6.707 5.343 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.735 8.340 5.211 1.00 0.00 H new ATOM 447 N GLN A 31 11.218 4.446 -0.072 1.00 0.00 N ATOM 448 CA GLN A 31 12.407 3.585 -0.088 1.00 0.00 C ATOM 449 C GLN A 31 12.097 2.170 0.395 1.00 0.00 C ATOM 450 O GLN A 31 12.495 1.769 1.489 1.00 0.00 O ATOM 451 CB GLN A 31 13.518 4.191 0.777 1.00 0.00 C ATOM 452 CG GLN A 31 13.009 4.967 1.983 1.00 0.00 C ATOM 453 CD GLN A 31 12.901 6.453 1.710 1.00 0.00 C ATOM 454 OE1 GLN A 31 11.875 7.075 1.988 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.962 7.034 1.162 1.00 0.00 N ATOM 0 H GLN A 31 11.414 5.413 0.186 1.00 0.00 H new ATOM 0 HA GLN A 31 12.742 3.521 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.173 3.391 1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.124 4.855 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.032 4.582 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.680 4.803 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.792 6.481 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.947 8.033 0.956 1.00 0.00 H new ATOM 462 N THR A 32 11.372 1.427 -0.428 1.00 0.00 N ATOM 463 CA THR A 32 10.986 0.072 -0.106 1.00 0.00 C ATOM 464 C THR A 32 10.682 -0.704 -1.386 1.00 0.00 C ATOM 465 O THR A 32 10.491 -0.116 -2.450 1.00 0.00 O ATOM 466 CB THR A 32 9.764 0.104 0.818 1.00 0.00 C ATOM 467 OG1 THR A 32 10.145 0.508 2.123 1.00 0.00 O ATOM 468 CG2 THR A 32 9.048 -1.222 0.940 1.00 0.00 C ATOM 0 H THR A 32 11.038 1.751 -1.336 1.00 0.00 H new ATOM 0 HA THR A 32 11.804 -0.433 0.407 1.00 0.00 H new ATOM 0 HB THR A 32 9.078 0.814 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.547 0.095 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.196 -1.115 1.611 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.699 -1.539 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.733 -1.970 1.340 1.00 0.00 H new ATOM 473 N GLN A 33 10.620 -2.019 -1.267 1.00 0.00 N ATOM 474 CA GLN A 33 10.319 -2.885 -2.393 1.00 0.00 C ATOM 475 C GLN A 33 9.158 -3.772 -2.017 1.00 0.00 C ATOM 476 O GLN A 33 9.328 -4.797 -1.359 1.00 0.00 O ATOM 477 CB GLN A 33 11.526 -3.734 -2.786 1.00 0.00 C ATOM 478 CG GLN A 33 12.431 -4.100 -1.620 1.00 0.00 C ATOM 479 CD GLN A 33 13.416 -2.994 -1.286 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.171 -1.824 -1.579 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.539 -3.354 -0.674 1.00 0.00 N ATOM 0 H GLN A 33 10.776 -2.515 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 33 10.063 -2.270 -3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.174 -4.650 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.111 -3.193 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.821 -4.317 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.979 -5.011 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.705 -4.335 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.235 -2.650 -0.430 1.00 0.00 H new ATOM 488 N LEU A 34 7.973 -3.342 -2.400 1.00 0.00 N ATOM 489 CA LEU A 34 6.763 -4.062 -2.068 1.00 0.00 C ATOM 490 C LEU A 34 6.830 -5.522 -2.491 1.00 0.00 C ATOM 491 O LEU A 34 6.415 -5.885 -3.592 1.00 0.00 O ATOM 492 CB LEU A 34 5.552 -3.382 -2.705 1.00 0.00 C ATOM 493 CG LEU A 34 5.352 -1.908 -2.332 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.922 -1.603 -0.951 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.987 -1.010 -3.383 1.00 0.00 C ATOM 0 H LEU A 34 7.823 -2.493 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 34 6.660 -4.042 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.644 -3.455 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.656 -3.935 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 34 4.281 -1.709 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.764 -0.550 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.420 -2.220 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.990 -1.821 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.838 0.034 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.055 -1.221 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.523 -1.199 -4.351 1.00 0.00 H new ATOM 501 N ILE A 35 7.337 -6.357 -1.594 1.00 0.00 N ATOM 502 CA ILE A 35 7.439 -7.782 -1.850 1.00 0.00 C ATOM 503 C ILE A 35 6.050 -8.368 -2.066 1.00 0.00 C ATOM 504 O ILE A 35 5.377 -8.765 -1.115 1.00 0.00 O ATOM 505 CB ILE A 35 8.133 -8.501 -0.680 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.608 -8.083 -0.628 1.00 0.00 C ATOM 507 CG2 ILE A 35 7.995 -10.016 -0.820 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.466 -9.000 0.205 1.00 0.00 C ATOM 0 H ILE A 35 7.685 -6.068 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 35 8.039 -7.929 -2.748 1.00 0.00 H new ATOM 0 HB ILE A 35 7.653 -8.213 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.004 -8.051 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.676 -7.072 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.492 -10.506 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.939 -10.286 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.455 -10.338 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.496 -8.643 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.096 -9.013 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.428 -10.008 -0.208 1.00 0.00 H new ATOM 512 N SER A 36 5.619 -8.401 -3.320 1.00 0.00 N ATOM 513 CA SER A 36 4.298 -8.919 -3.654 1.00 0.00 C ATOM 514 C SER A 36 3.227 -8.190 -2.847 1.00 0.00 C ATOM 515 O SER A 36 2.921 -8.562 -1.714 1.00 0.00 O ATOM 516 CB SER A 36 4.241 -10.423 -3.386 1.00 0.00 C ATOM 517 OG SER A 36 2.908 -10.901 -3.420 1.00 0.00 O ATOM 0 H SER A 36 6.162 -8.077 -4.120 1.00 0.00 H new ATOM 0 HA SER A 36 4.108 -8.748 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.838 -10.950 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.682 -10.638 -2.413 1.00 0.00 H new ATOM 0 HG SER A 36 2.902 -11.866 -3.247 1.00 0.00 H new ATOM 523 N PRO A 37 2.667 -7.119 -3.425 1.00 0.00 N ATOM 524 CA PRO A 37 1.654 -6.295 -2.787 1.00 0.00 C ATOM 525 C PRO A 37 0.226 -6.685 -3.156 1.00 0.00 C ATOM 526 O PRO A 37 -0.097 -6.878 -4.329 1.00 0.00 O ATOM 527 CB PRO A 37 1.983 -4.910 -3.339 1.00 0.00 C ATOM 528 CG PRO A 37 2.619 -5.152 -4.680 1.00 0.00 C ATOM 529 CD PRO A 37 3.002 -6.603 -4.754 1.00 0.00 C ATOM 0 HA PRO A 37 1.679 -6.383 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.083 -4.302 -3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.660 -4.374 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.926 -4.899 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.497 -4.519 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.450 -7.123 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.062 -6.726 -4.976 1.00 0.00 H new ATOM 537 N HIS A 38 -0.628 -6.776 -2.141 1.00 0.00 N ATOM 538 CA HIS A 38 -2.031 -7.119 -2.342 1.00 0.00 C ATOM 539 C HIS A 38 -2.932 -6.072 -1.718 1.00 0.00 C ATOM 540 O HIS A 38 -2.482 -5.204 -0.971 1.00 0.00 O ATOM 541 CB HIS A 38 -2.362 -8.469 -1.715 1.00 0.00 C ATOM 542 CG HIS A 38 -2.626 -9.559 -2.701 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.547 -9.662 -3.688 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.919 -10.738 -2.714 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.380 -10.892 -4.271 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.393 -11.523 -3.663 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.371 -6.616 -1.167 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.200 -7.165 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.535 -8.770 -1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.237 -8.354 -1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.103 -10.984 -2.051 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.961 -11.281 -5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.054 -12.458 -3.888 1.00 0.00 H new ATOM 555 N PHE A 39 -4.213 -6.192 -2.008 1.00 0.00 N ATOM 556 CA PHE A 39 -5.206 -5.287 -1.457 1.00 0.00 C ATOM 557 C PHE A 39 -6.566 -5.966 -1.355 1.00 0.00 C ATOM 558 O PHE A 39 -7.262 -6.142 -2.355 1.00 0.00 O ATOM 559 CB PHE A 39 -5.305 -4.010 -2.282 1.00 0.00 C ATOM 560 CG PHE A 39 -4.768 -2.800 -1.573 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.405 -2.556 -1.518 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.631 -1.909 -0.957 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.915 -1.443 -0.861 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.146 -0.796 -0.300 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.787 -0.562 -0.251 1.00 0.00 C ATOM 0 H PHE A 39 -4.593 -6.910 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.884 -5.015 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.760 -4.146 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.348 -3.835 -2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.719 -3.242 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.696 -2.087 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.851 -1.262 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.830 -0.109 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.406 0.308 0.263 1.00 0.00 H new ATOM 575 N VAL A 40 -6.943 -6.336 -0.137 1.00 0.00 N ATOM 576 CA VAL A 40 -8.216 -6.981 0.106 1.00 0.00 C ATOM 577 C VAL A 40 -9.287 -5.924 0.361 1.00 0.00 C ATOM 578 O VAL A 40 -9.484 -5.473 1.490 1.00 0.00 O ATOM 579 CB VAL A 40 -8.117 -7.941 1.305 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.454 -8.603 1.569 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.028 -8.982 1.064 1.00 0.00 C ATOM 0 H VAL A 40 -6.377 -6.197 0.700 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.490 -7.563 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.847 -7.366 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.364 -9.278 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.201 -7.840 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.760 -9.168 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.970 -9.653 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.265 -9.556 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.069 -8.481 0.930 1.00 0.00 H new ATOM 585 N LEU A 41 -9.945 -5.517 -0.717 1.00 0.00 N ATOM 586 CA LEU A 41 -10.977 -4.485 -0.664 1.00 0.00 C ATOM 587 C LEU A 41 -12.369 -5.081 -0.466 1.00 0.00 C ATOM 588 O LEU A 41 -12.716 -6.089 -1.078 1.00 0.00 O ATOM 589 CB LEU A 41 -10.938 -3.676 -1.960 1.00 0.00 C ATOM 590 CG LEU A 41 -12.026 -2.617 -2.120 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.495 -1.241 -1.749 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.556 -2.626 -3.547 1.00 0.00 C ATOM 0 H LEU A 41 -9.780 -5.891 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.774 -3.841 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.967 -3.185 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.006 -4.368 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.847 -2.853 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.286 -0.501 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.160 -1.248 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.658 -0.987 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.332 -1.867 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.742 -2.410 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.975 -3.607 -3.773 1.00 0.00 H new ATOM 598 N ASN A 42 -13.168 -4.440 0.384 1.00 0.00 N ATOM 599 CA ASN A 42 -14.529 -4.906 0.645 1.00 0.00 C ATOM 600 C ASN A 42 -15.469 -3.764 1.023 1.00 0.00 C ATOM 601 O ASN A 42 -15.045 -2.660 1.371 1.00 0.00 O ATOM 602 CB ASN A 42 -14.551 -5.965 1.746 1.00 0.00 C ATOM 603 CG ASN A 42 -13.432 -6.972 1.607 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.381 -7.734 0.642 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.530 -6.982 2.575 1.00 0.00 N ATOM 0 H ASN A 42 -12.900 -3.602 0.901 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.884 -5.347 -0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.476 -5.476 2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.508 -6.486 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.752 -7.640 2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.613 -6.331 3.356 1.00 0.00 H new ATOM 610 N LYS A 43 -16.758 -4.060 0.951 1.00 0.00 N ATOM 611 CA LYS A 43 -17.807 -3.102 1.276 1.00 0.00 C ATOM 612 C LYS A 43 -18.790 -3.727 2.255 1.00 0.00 C ATOM 613 O LYS A 43 -18.786 -4.940 2.465 1.00 0.00 O ATOM 614 CB LYS A 43 -18.565 -2.691 0.004 1.00 0.00 C ATOM 615 CG LYS A 43 -20.069 -2.496 0.213 1.00 0.00 C ATOM 616 CD LYS A 43 -20.772 -2.129 -1.082 1.00 0.00 C ATOM 617 CE LYS A 43 -22.079 -1.396 -0.819 1.00 0.00 C ATOM 618 NZ LYS A 43 -23.179 -2.334 -0.461 1.00 0.00 N ATOM 0 H LYS A 43 -17.108 -4.974 0.665 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.346 -2.222 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.138 -1.764 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.410 -3.452 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.502 -3.411 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.235 -1.713 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.117 -1.502 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.970 -3.033 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.937 -0.678 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.361 -0.827 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.052 -1.796 -0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.333 -3.003 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.921 -2.859 0.399 1.00 0.00 H new ATOM 632 N VAL A 44 -19.657 -2.901 2.816 1.00 0.00 N ATOM 633 CA VAL A 44 -20.670 -3.384 3.726 1.00 0.00 C ATOM 634 C VAL A 44 -21.813 -2.379 3.872 1.00 0.00 C ATOM 635 O VAL A 44 -21.645 -1.189 3.620 1.00 0.00 O ATOM 636 CB VAL A 44 -20.091 -3.699 5.105 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.465 -5.086 5.120 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.084 -2.645 5.543 1.00 0.00 C ATOM 0 H VAL A 44 -19.676 -1.894 2.655 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.060 -4.306 3.294 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.913 -3.684 5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.059 -5.291 6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.224 -5.830 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.664 -5.132 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.693 -2.902 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.264 -2.605 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.573 -1.672 5.589 1.00 0.00 H new ATOM 642 N PRO A 45 -23.004 -2.848 4.273 1.00 0.00 N ATOM 643 CA PRO A 45 -24.174 -1.982 4.440 1.00 0.00 C ATOM 644 C PRO A 45 -23.873 -0.742 5.277 1.00 0.00 C ATOM 645 O PRO A 45 -24.309 0.362 4.948 1.00 0.00 O ATOM 646 CB PRO A 45 -25.178 -2.882 5.162 1.00 0.00 C ATOM 647 CG PRO A 45 -24.801 -4.266 4.760 1.00 0.00 C ATOM 648 CD PRO A 45 -23.305 -4.258 4.591 1.00 0.00 C ATOM 0 HA PRO A 45 -24.531 -1.596 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.119 -2.754 6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.202 -2.649 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.104 -4.988 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.297 -4.551 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.796 -4.583 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.987 -4.927 3.791 1.00 0.00 H new ATOM 656 N ASN A 46 -23.136 -0.935 6.362 1.00 0.00 N ATOM 657 CA ASN A 46 -22.785 0.163 7.258 1.00 0.00 C ATOM 658 C ASN A 46 -21.598 0.979 6.740 1.00 0.00 C ATOM 659 O ASN A 46 -21.142 1.904 7.412 1.00 0.00 O ATOM 660 CB ASN A 46 -22.468 -0.378 8.653 1.00 0.00 C ATOM 661 CG ASN A 46 -23.052 0.485 9.755 1.00 0.00 C ATOM 662 OD1 ASN A 46 -22.321 1.099 10.532 1.00 0.00 O ATOM 663 ND2 ASN A 46 -24.377 0.536 9.827 1.00 0.00 N ATOM 0 H ASN A 46 -22.768 -1.843 6.645 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.647 0.828 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.858 -1.392 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.387 -0.440 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.827 1.101 10.547 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.944 0.011 9.162 1.00 0.00 H new ATOM 668 N GLY A 47 -21.091 0.640 5.554 1.00 0.00 N ATOM 669 CA GLY A 47 -19.962 1.366 5.011 1.00 0.00 C ATOM 670 C GLY A 47 -19.114 0.531 4.081 1.00 0.00 C ATOM 671 O GLY A 47 -19.606 -0.340 3.368 1.00 0.00 O ATOM 0 H GLY A 47 -21.441 -0.118 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.325 2.242 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.342 1.729 5.831 1.00 0.00 H new ATOM 675 N PHE A 48 -17.834 0.818 4.094 1.00 0.00 N ATOM 676 CA PHE A 48 -16.871 0.122 3.267 1.00 0.00 C ATOM 677 C PHE A 48 -15.710 -0.378 4.115 1.00 0.00 C ATOM 678 O PHE A 48 -15.118 0.391 4.876 1.00 0.00 O ATOM 679 CB PHE A 48 -16.324 1.061 2.200 1.00 0.00 C ATOM 680 CG PHE A 48 -17.255 1.335 1.058 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.142 2.397 1.100 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.224 0.538 -0.069 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.984 2.652 0.035 1.00 0.00 C ATOM 684 CE2 PHE A 48 -18.058 0.788 -1.137 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.939 1.846 -1.087 1.00 0.00 C ATOM 0 H PHE A 48 -17.427 1.545 4.682 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.373 -0.723 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.063 2.009 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.402 0.637 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.176 3.032 1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.536 -0.293 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.676 3.480 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -18.021 0.156 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.593 2.045 -1.923 1.00 0.00 H new ATOM 695 N SER A 49 -15.366 -1.652 3.966 1.00 0.00 N ATOM 696 CA SER A 49 -14.250 -2.216 4.703 1.00 0.00 C ATOM 697 C SER A 49 -13.136 -2.562 3.743 1.00 0.00 C ATOM 698 O SER A 49 -13.312 -3.346 2.811 1.00 0.00 O ATOM 699 CB SER A 49 -14.654 -3.447 5.501 1.00 0.00 C ATOM 700 OG SER A 49 -16.004 -3.802 5.261 1.00 0.00 O ATOM 0 H SER A 49 -15.842 -2.307 3.346 1.00 0.00 H new ATOM 0 HA SER A 49 -13.907 -1.467 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.005 -4.282 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.511 -3.256 6.564 1.00 0.00 H new ATOM 0 HG SER A 49 -16.232 -4.597 5.787 1.00 0.00 H new ATOM 706 N VAL A 50 -11.997 -1.957 3.971 1.00 0.00 N ATOM 707 CA VAL A 50 -10.839 -2.171 3.119 1.00 0.00 C ATOM 708 C VAL A 50 -9.671 -2.732 3.916 1.00 0.00 C ATOM 709 O VAL A 50 -9.553 -2.485 5.114 1.00 0.00 O ATOM 710 CB VAL A 50 -10.390 -0.860 2.438 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.792 -1.149 1.070 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.550 0.121 2.321 1.00 0.00 C ATOM 0 H VAL A 50 -11.840 -1.308 4.742 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.138 -2.888 2.355 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.623 -0.400 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.481 -0.214 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.928 -1.804 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.538 -1.636 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.206 1.035 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.346 -0.326 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.929 0.357 3.315 1.00 0.00 H new ATOM 716 N GLU A 51 -8.806 -3.482 3.243 1.00 0.00 N ATOM 717 CA GLU A 51 -7.637 -4.070 3.884 1.00 0.00 C ATOM 718 C GLU A 51 -6.507 -4.224 2.874 1.00 0.00 C ATOM 719 O GLU A 51 -6.722 -4.683 1.755 1.00 0.00 O ATOM 720 CB GLU A 51 -7.997 -5.421 4.509 1.00 0.00 C ATOM 721 CG GLU A 51 -6.794 -6.270 4.902 1.00 0.00 C ATOM 722 CD GLU A 51 -6.841 -6.716 6.350 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.832 -7.370 6.738 1.00 0.00 O ATOM 724 OE2 GLU A 51 -5.888 -6.410 7.097 1.00 0.00 O ATOM 0 H GLU A 51 -8.893 -3.698 2.250 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.299 -3.406 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.609 -5.247 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.609 -5.983 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.747 -7.148 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.881 -5.700 4.731 1.00 0.00 H new ATOM 731 N ALA A 52 -5.307 -3.830 3.276 1.00 0.00 N ATOM 732 CA ALA A 52 -4.146 -3.918 2.401 1.00 0.00 C ATOM 733 C ALA A 52 -3.095 -4.859 2.974 1.00 0.00 C ATOM 734 O ALA A 52 -3.052 -5.097 4.180 1.00 0.00 O ATOM 735 CB ALA A 52 -3.552 -2.536 2.172 1.00 0.00 C ATOM 0 H ALA A 52 -5.112 -3.447 4.201 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.474 -4.324 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.685 -2.617 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.299 -1.891 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.246 -2.109 3.127 1.00 0.00 H new ATOM 741 N SER A 53 -2.249 -5.390 2.098 1.00 0.00 N ATOM 742 CA SER A 53 -1.194 -6.304 2.511 1.00 0.00 C ATOM 743 C SER A 53 -0.012 -6.240 1.551 1.00 0.00 C ATOM 744 O SER A 53 -0.099 -6.694 0.411 1.00 0.00 O ATOM 745 CB SER A 53 -1.726 -7.734 2.588 1.00 0.00 C ATOM 746 OG SER A 53 -1.766 -8.334 1.305 1.00 0.00 O ATOM 0 H SER A 53 -2.275 -5.202 1.096 1.00 0.00 H new ATOM 0 HA SER A 53 -0.853 -5.999 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.093 -8.325 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.726 -7.730 3.022 1.00 0.00 H new ATOM 0 HG SER A 53 -1.448 -7.694 0.634 1.00 0.00 H new ATOM 752 N ILE A 54 1.093 -5.679 2.024 1.00 0.00 N ATOM 753 CA ILE A 54 2.298 -5.558 1.216 1.00 0.00 C ATOM 754 C ILE A 54 3.519 -6.016 2.005 1.00 0.00 C ATOM 755 O ILE A 54 3.633 -5.739 3.196 1.00 0.00 O ATOM 756 CB ILE A 54 2.516 -4.105 0.742 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.271 -3.588 0.016 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.738 -4.020 -0.159 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.413 -2.172 -0.511 1.00 0.00 C ATOM 0 H ILE A 54 1.179 -5.299 2.967 1.00 0.00 H new ATOM 0 HA ILE A 54 2.167 -6.195 0.341 1.00 0.00 H new ATOM 0 HB ILE A 54 2.689 -3.476 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.044 -4.254 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.421 -3.629 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.879 -2.989 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.619 -4.350 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.593 -4.660 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.491 -1.876 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.609 -1.493 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.241 -2.128 -1.218 1.00 0.00 H new ATOM 763 N GLY A 55 4.431 -6.714 1.340 1.00 0.00 N ATOM 764 CA GLY A 55 5.621 -7.186 2.002 1.00 0.00 C ATOM 765 C GLY A 55 6.796 -6.275 1.774 1.00 0.00 C ATOM 766 O GLY A 55 6.889 -5.599 0.752 1.00 0.00 O ATOM 0 H GLY A 55 4.363 -6.960 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.431 -7.270 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.863 -8.186 1.642 1.00 0.00 H new ATOM 770 N THR A 56 7.691 -6.265 2.733 1.00 0.00 N ATOM 771 CA THR A 56 8.886 -5.438 2.653 1.00 0.00 C ATOM 772 C THR A 56 10.082 -6.151 3.271 1.00 0.00 C ATOM 773 O THR A 56 9.964 -6.743 4.343 1.00 0.00 O ATOM 774 CB THR A 56 8.690 -4.090 3.358 1.00 0.00 C ATOM 775 OG1 THR A 56 9.408 -4.054 4.588 1.00 0.00 O ATOM 776 CG2 THR A 56 7.240 -3.756 3.647 1.00 0.00 C ATOM 0 H THR A 56 7.619 -6.821 3.585 1.00 0.00 H new ATOM 0 HA THR A 56 9.074 -5.257 1.595 1.00 0.00 H new ATOM 0 HB THR A 56 9.072 -3.346 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.832 -4.376 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.182 -2.789 4.146 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.682 -3.715 2.711 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.811 -4.523 4.292 1.00 0.00 H new ATOM 781 N PRO A 57 11.266 -6.083 2.634 1.00 0.00 N ATOM 782 CA PRO A 57 12.466 -6.710 3.186 1.00 0.00 C ATOM 783 C PRO A 57 12.723 -6.251 4.619 1.00 0.00 C ATOM 784 O PRO A 57 13.463 -6.894 5.363 1.00 0.00 O ATOM 785 CB PRO A 57 13.592 -6.225 2.271 1.00 0.00 C ATOM 786 CG PRO A 57 12.924 -5.834 1.001 1.00 0.00 C ATOM 787 CD PRO A 57 11.537 -5.380 1.365 1.00 0.00 C ATOM 0 HA PRO A 57 12.379 -7.796 3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.122 -5.381 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.328 -7.011 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.475 -5.035 0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.887 -6.675 0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.488 -4.298 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.812 -5.647 0.596 1.00 0.00 H new ATOM 795 N LEU A 58 12.106 -5.128 4.999 1.00 0.00 N ATOM 796 CA LEU A 58 12.273 -4.585 6.341 1.00 0.00 C ATOM 797 C LEU A 58 11.176 -5.093 7.276 1.00 0.00 C ATOM 798 O LEU A 58 11.264 -4.940 8.494 1.00 0.00 O ATOM 799 CB LEU A 58 12.266 -3.054 6.294 1.00 0.00 C ATOM 800 CG LEU A 58 13.643 -2.395 6.146 1.00 0.00 C ATOM 801 CD1 LEU A 58 14.610 -2.936 7.187 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.197 -2.606 4.742 1.00 0.00 C ATOM 0 H LEU A 58 11.490 -4.583 4.396 1.00 0.00 H new ATOM 0 HA LEU A 58 13.233 -4.923 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.638 -2.736 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.800 -2.681 7.206 1.00 0.00 H new ATOM 0 HG LEU A 58 13.525 -1.324 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.581 -2.456 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 14.224 -2.727 8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.719 -4.013 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.174 -2.130 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.296 -3.674 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.517 -2.166 4.013 1.00 0.00 H new ATOM 808 N GLY A 59 10.147 -5.704 6.695 1.00 0.00 N ATOM 809 CA GLY A 59 9.049 -6.233 7.480 1.00 0.00 C ATOM 810 C GLY A 59 7.729 -6.152 6.745 1.00 0.00 C ATOM 811 O GLY A 59 7.401 -5.121 6.159 1.00 0.00 O ATOM 0 H GLY A 59 10.056 -5.842 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.256 -7.272 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.976 -5.681 8.417 1.00 0.00 H new ATOM 815 N ASN A 60 6.969 -7.244 6.770 1.00 0.00 N ATOM 816 CA ASN A 60 5.678 -7.292 6.097 1.00 0.00 C ATOM 817 C ASN A 60 4.842 -6.063 6.425 1.00 0.00 C ATOM 818 O ASN A 60 5.157 -5.309 7.346 1.00 0.00 O ATOM 819 CB ASN A 60 4.915 -8.552 6.497 1.00 0.00 C ATOM 820 CG ASN A 60 5.696 -9.822 6.223 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.896 -9.781 5.955 1.00 0.00 O ATOM 822 ND2 ASN A 60 5.016 -10.964 6.289 1.00 0.00 N ATOM 0 H ASN A 60 7.227 -8.107 7.250 1.00 0.00 H new ATOM 0 HA ASN A 60 5.864 -7.309 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.671 -8.502 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.970 -8.587 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.489 -11.850 6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.021 -10.953 6.515 1.00 0.00 H new ATOM 827 N LEU A 61 3.775 -5.871 5.663 1.00 0.00 N ATOM 828 CA LEU A 61 2.888 -4.737 5.867 1.00 0.00 C ATOM 829 C LEU A 61 1.450 -5.110 5.546 1.00 0.00 C ATOM 830 O LEU A 61 1.188 -5.884 4.627 1.00 0.00 O ATOM 831 CB LEU A 61 3.323 -3.557 4.996 1.00 0.00 C ATOM 832 CG LEU A 61 3.917 -2.374 5.758 1.00 0.00 C ATOM 833 CD1 LEU A 61 5.414 -2.561 5.958 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.632 -1.076 5.018 1.00 0.00 C ATOM 0 H LEU A 61 3.503 -6.487 4.897 1.00 0.00 H new ATOM 0 HA LEU A 61 2.947 -4.448 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.059 -3.910 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.461 -3.207 4.428 1.00 0.00 H new ATOM 0 HG LEU A 61 3.448 -2.323 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.818 -1.708 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.594 -3.473 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.904 -2.637 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.060 -0.240 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.076 -1.119 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.555 -0.937 4.928 1.00 0.00 H new ATOM 840 N LEU A 62 0.530 -4.540 6.306 1.00 0.00 N ATOM 841 CA LEU A 62 -0.888 -4.789 6.116 1.00 0.00 C ATOM 842 C LEU A 62 -1.697 -3.649 6.713 1.00 0.00 C ATOM 843 O LEU A 62 -1.150 -2.757 7.358 1.00 0.00 O ATOM 844 CB LEU A 62 -1.300 -6.114 6.764 1.00 0.00 C ATOM 845 CG LEU A 62 -0.932 -7.373 5.969 1.00 0.00 C ATOM 846 CD1 LEU A 62 0.109 -8.197 6.715 1.00 0.00 C ATOM 847 CD2 LEU A 62 -2.173 -8.207 5.687 1.00 0.00 C ATOM 0 H LEU A 62 0.744 -3.896 7.067 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.086 -4.853 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.837 -6.178 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.379 -6.104 6.919 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.502 -7.062 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.355 -9.085 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.008 -7.599 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.291 -8.497 7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.893 -9.096 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.633 -8.505 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.883 -7.618 5.107 1.00 0.00 H new ATOM 853 N ALA A 63 -2.999 -3.685 6.497 1.00 0.00 N ATOM 854 CA ALA A 63 -3.883 -2.654 7.018 1.00 0.00 C ATOM 855 C ALA A 63 -5.341 -3.020 6.786 1.00 0.00 C ATOM 856 O ALA A 63 -5.649 -3.901 5.984 1.00 0.00 O ATOM 857 CB ALA A 63 -3.562 -1.311 6.382 1.00 0.00 C ATOM 0 H ALA A 63 -3.470 -4.417 5.964 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.721 -2.578 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.232 -0.550 6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.530 -1.040 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.694 -1.379 5.302 1.00 0.00 H new ATOM 863 N SER A 64 -6.233 -2.337 7.490 1.00 0.00 N ATOM 864 CA SER A 64 -7.662 -2.592 7.360 1.00 0.00 C ATOM 865 C SER A 64 -8.469 -1.498 8.052 1.00 0.00 C ATOM 866 O SER A 64 -8.111 -1.044 9.138 1.00 0.00 O ATOM 867 CB SER A 64 -8.014 -3.958 7.952 1.00 0.00 C ATOM 868 OG SER A 64 -7.057 -4.361 8.915 1.00 0.00 O ATOM 0 H SER A 64 -5.993 -1.603 8.156 1.00 0.00 H new ATOM 0 HA SER A 64 -7.914 -2.591 6.300 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.001 -3.914 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.067 -4.700 7.155 1.00 0.00 H new ATOM 0 HG SER A 64 -6.502 -5.079 8.545 1.00 0.00 H new ATOM 874 N ALA A 65 -9.560 -1.078 7.419 1.00 0.00 N ATOM 875 CA ALA A 65 -10.406 -0.033 7.983 1.00 0.00 C ATOM 876 C ALA A 65 -11.833 -0.116 7.450 1.00 0.00 C ATOM 877 O ALA A 65 -12.071 -0.607 6.346 1.00 0.00 O ATOM 878 CB ALA A 65 -9.814 1.337 7.692 1.00 0.00 C ATOM 0 H ALA A 65 -9.877 -1.443 6.521 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.446 -0.184 9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.455 2.108 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.820 1.405 8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.742 1.481 6.614 1.00 0.00 H new ATOM 884 N THR A 66 -12.776 0.378 8.247 1.00 0.00 N ATOM 885 CA THR A 66 -14.187 0.377 7.874 1.00 0.00 C ATOM 886 C THR A 66 -14.769 1.780 8.004 1.00 0.00 C ATOM 887 O THR A 66 -14.602 2.432 9.035 1.00 0.00 O ATOM 888 CB THR A 66 -14.970 -0.591 8.762 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.437 -1.901 8.673 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.442 -0.668 8.414 1.00 0.00 C ATOM 0 H THR A 66 -12.586 0.787 9.162 1.00 0.00 H new ATOM 0 HA THR A 66 -14.269 0.053 6.837 1.00 0.00 H new ATOM 0 HB THR A 66 -14.873 -0.195 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.951 -2.503 9.250 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.937 -1.372 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.894 0.317 8.525 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.555 -1.005 7.383 1.00 0.00 H new ATOM 895 N SER A 67 -15.449 2.250 6.961 1.00 0.00 N ATOM 896 CA SER A 67 -16.038 3.581 6.991 1.00 0.00 C ATOM 897 C SER A 67 -17.015 3.777 5.841 1.00 0.00 C ATOM 898 O SER A 67 -16.994 3.036 4.863 1.00 0.00 O ATOM 899 CB SER A 67 -14.940 4.641 6.918 1.00 0.00 C ATOM 900 OG SER A 67 -14.903 5.425 8.098 1.00 0.00 O ATOM 0 H SER A 67 -15.603 1.734 6.095 1.00 0.00 H new ATOM 0 HA SER A 67 -16.585 3.685 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.974 4.158 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.110 5.285 6.056 1.00 0.00 H new ATOM 0 HG SER A 67 -14.190 6.094 8.024 1.00 0.00 H new ATOM 906 N ASP A 68 -17.858 4.796 5.960 1.00 0.00 N ATOM 907 CA ASP A 68 -18.830 5.101 4.920 1.00 0.00 C ATOM 908 C ASP A 68 -18.185 5.900 3.788 1.00 0.00 C ATOM 909 O ASP A 68 -18.863 6.322 2.853 1.00 0.00 O ATOM 910 CB ASP A 68 -20.009 5.881 5.509 1.00 0.00 C ATOM 911 CG ASP A 68 -21.298 5.085 5.483 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.298 3.938 5.978 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.309 5.608 4.968 1.00 0.00 O ATOM 0 H ASP A 68 -17.887 5.423 6.764 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.196 4.160 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.779 6.161 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.145 6.806 4.949 1.00 0.00 H new ATOM 918 N ASP A 69 -16.869 6.105 3.877 1.00 0.00 N ATOM 919 CA ASP A 69 -16.147 6.851 2.857 1.00 0.00 C ATOM 920 C ASP A 69 -15.120 5.964 2.158 1.00 0.00 C ATOM 921 O ASP A 69 -14.003 5.785 2.637 1.00 0.00 O ATOM 922 CB ASP A 69 -15.463 8.068 3.478 1.00 0.00 C ATOM 923 CG ASP A 69 -16.419 9.227 3.682 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.594 8.974 4.021 1.00 0.00 O ATOM 925 OD2 ASP A 69 -15.993 10.387 3.503 1.00 0.00 O ATOM 0 H ASP A 69 -16.288 5.765 4.643 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.864 7.192 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.028 7.787 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.642 8.387 2.836 1.00 0.00 H new ATOM 930 N MET A 70 -15.528 5.408 1.025 1.00 0.00 N ATOM 931 CA MET A 70 -14.694 4.520 0.221 1.00 0.00 C ATOM 932 C MET A 70 -13.227 4.957 0.159 1.00 0.00 C ATOM 933 O MET A 70 -12.342 4.294 0.715 1.00 0.00 O ATOM 934 CB MET A 70 -15.270 4.456 -1.195 1.00 0.00 C ATOM 935 CG MET A 70 -15.930 3.129 -1.527 1.00 0.00 C ATOM 936 SD MET A 70 -15.240 2.358 -3.002 1.00 0.00 S ATOM 937 CE MET A 70 -13.791 1.571 -2.311 1.00 0.00 C ATOM 0 H MET A 70 -16.457 5.562 0.633 1.00 0.00 H new ATOM 0 HA MET A 70 -14.705 3.540 0.699 1.00 0.00 H new ATOM 0 HB2 MET A 70 -16.001 5.256 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.470 4.643 -1.912 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.818 2.451 -0.681 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.999 3.286 -1.670 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.938 1.739 -2.968 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.581 1.994 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.970 0.500 -2.215 1.00 0.00 H new ATOM 947 N TYR A 71 -12.968 6.052 -0.544 1.00 0.00 N ATOM 948 CA TYR A 71 -11.606 6.541 -0.706 1.00 0.00 C ATOM 949 C TYR A 71 -10.993 6.969 0.612 1.00 0.00 C ATOM 950 O TYR A 71 -9.776 6.960 0.751 1.00 0.00 O ATOM 951 CB TYR A 71 -11.553 7.654 -1.750 1.00 0.00 C ATOM 952 CG TYR A 71 -11.284 7.109 -3.137 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.584 5.784 -3.441 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.724 7.898 -4.131 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.339 5.263 -4.689 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.476 7.382 -5.390 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.782 6.064 -5.664 1.00 0.00 C ATOM 958 OH TYR A 71 -10.539 5.551 -6.917 1.00 0.00 O ATOM 0 H TYR A 71 -13.680 6.616 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.998 5.713 -1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.497 8.198 -1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.774 8.367 -1.482 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.018 5.152 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.479 8.928 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.581 4.233 -4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.044 8.008 -6.157 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.850 4.622 -6.956 1.00 0.00 H new ATOM 968 N LYS A 72 -11.830 7.295 1.592 1.00 0.00 N ATOM 969 CA LYS A 72 -11.325 7.664 2.905 1.00 0.00 C ATOM 970 C LYS A 72 -10.868 6.402 3.622 1.00 0.00 C ATOM 971 O LYS A 72 -9.832 6.386 4.279 1.00 0.00 O ATOM 972 CB LYS A 72 -12.382 8.359 3.722 1.00 0.00 C ATOM 973 CG LYS A 72 -11.856 8.986 5.002 1.00 0.00 C ATOM 974 CD LYS A 72 -11.561 10.465 4.816 1.00 0.00 C ATOM 975 CE LYS A 72 -11.792 11.245 6.101 1.00 0.00 C ATOM 976 NZ LYS A 72 -12.385 12.585 5.839 1.00 0.00 N ATOM 0 H LYS A 72 -12.846 7.311 1.503 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.492 8.356 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.847 9.135 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.163 7.641 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.588 8.857 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.949 8.469 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.528 10.593 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.195 10.867 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.453 10.677 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.846 11.364 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.527 13.084 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.743 13.137 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.300 12.472 5.359 1.00 0.00 H new ATOM 990 N ALA A 73 -11.637 5.322 3.450 1.00 0.00 N ATOM 991 CA ALA A 73 -11.284 4.039 4.035 1.00 0.00 C ATOM 992 C ALA A 73 -9.959 3.624 3.435 1.00 0.00 C ATOM 993 O ALA A 73 -9.017 3.254 4.141 1.00 0.00 O ATOM 994 CB ALA A 73 -12.361 2.999 3.759 1.00 0.00 C ATOM 0 H ALA A 73 -12.503 5.317 2.911 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.202 4.122 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.072 2.048 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.306 3.331 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.477 2.872 2.683 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.878 3.779 2.116 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.649 3.515 1.393 1.00 0.00 C ATOM 1002 C ILE A 74 -7.615 4.515 1.892 1.00 0.00 C ATOM 1003 O ILE A 74 -6.442 4.193 2.098 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.876 3.664 -0.131 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.437 2.364 -0.696 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.598 4.054 -0.864 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.791 2.518 -1.345 1.00 0.00 C ATOM 0 H ILE A 74 -10.654 4.087 1.530 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.305 2.495 1.566 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.594 4.470 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.736 1.965 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.510 1.631 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.804 4.147 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.235 5.007 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.840 3.287 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -11.125 1.552 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.507 2.887 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.720 3.226 -2.171 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.110 5.728 2.128 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.323 6.818 2.655 1.00 0.00 C ATOM 1013 C ASN A 75 -6.719 6.410 3.992 1.00 0.00 C ATOM 1014 O ASN A 75 -5.563 6.708 4.292 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.245 8.030 2.807 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.548 9.333 2.533 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.778 9.834 3.352 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.822 9.889 1.364 1.00 0.00 N ATOM 0 H ASN A 75 -9.084 5.975 1.953 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.501 7.071 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.090 7.925 2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.651 8.047 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.387 10.775 1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.468 9.432 0.721 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.520 5.699 4.778 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.093 5.205 6.079 1.00 0.00 C ATOM 1025 C GLU A 76 -6.079 4.073 5.910 1.00 0.00 C ATOM 1026 O GLU A 76 -4.965 4.137 6.438 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.305 4.719 6.879 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.578 5.538 8.129 1.00 0.00 C ATOM 1029 CD GLU A 76 -8.740 4.679 9.368 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -9.035 3.475 9.221 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -8.573 5.212 10.486 1.00 0.00 O ATOM 0 H GLU A 76 -8.478 5.451 4.532 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.615 6.019 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.186 4.745 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.148 3.679 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.759 6.241 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.482 6.129 7.981 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.465 3.041 5.154 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.580 1.905 4.903 1.00 0.00 C ATOM 1040 C VAL A 77 -4.214 2.390 4.462 1.00 0.00 C ATOM 1041 O VAL A 77 -3.191 2.016 5.037 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.132 0.969 3.812 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.406 -0.367 3.838 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.626 0.777 3.977 1.00 0.00 C ATOM 0 H VAL A 77 -7.380 2.971 4.708 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.509 1.351 5.839 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.957 1.432 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.809 -1.015 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.342 -0.207 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.545 -0.838 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.996 0.112 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.831 0.339 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.128 1.742 3.900 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.204 3.236 3.436 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.960 3.780 2.926 1.00 0.00 C ATOM 1050 C GLU A 78 -2.202 4.480 4.047 1.00 0.00 C ATOM 1051 O GLU A 78 -0.970 4.495 4.066 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.227 4.752 1.773 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.979 5.458 1.265 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.049 4.527 0.511 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -0.991 3.331 0.863 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.377 4.997 -0.432 1.00 0.00 O ATOM 0 H GLU A 78 -5.040 3.555 2.947 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.351 2.960 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.686 4.206 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.949 5.500 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.272 6.280 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.444 5.895 2.108 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.951 5.041 4.991 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.355 5.723 6.128 1.00 0.00 C ATOM 1065 C GLU A 79 -1.688 4.709 7.046 1.00 0.00 C ATOM 1066 O GLU A 79 -0.574 4.928 7.522 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.415 6.519 6.893 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.133 8.012 6.947 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.559 8.640 8.260 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -2.870 8.414 9.277 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -4.583 9.355 8.271 1.00 0.00 O ATOM 0 H GLU A 79 -3.971 5.035 4.989 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.601 6.421 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.386 6.358 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.483 6.133 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.067 8.182 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.654 8.506 6.127 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.364 3.585 7.274 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.810 2.534 8.117 1.00 0.00 C ATOM 1080 C LYS A 80 -0.618 1.890 7.416 1.00 0.00 C ATOM 1081 O LYS A 80 0.441 1.688 8.016 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.874 1.481 8.444 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.153 1.344 9.932 1.00 0.00 C ATOM 1084 CD LYS A 80 -1.909 0.924 10.700 1.00 0.00 C ATOM 1085 CE LYS A 80 -2.108 -0.410 11.402 1.00 0.00 C ATOM 1086 NZ LYS A 80 -2.756 -0.247 12.732 1.00 0.00 N ATOM 0 H LYS A 80 -3.287 3.382 6.890 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.476 2.976 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.800 1.740 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.552 0.516 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.519 2.293 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.943 0.609 10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.064 0.853 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.659 1.689 11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.720 -1.061 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.143 -0.902 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.874 -1.179 13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.160 0.353 13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.688 0.199 12.612 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.793 1.591 6.129 1.00 0.00 N ATOM 1101 CA LEU A 81 0.270 0.991 5.332 1.00 0.00 C ATOM 1102 C LEU A 81 1.473 1.932 5.282 1.00 0.00 C ATOM 1103 O LEU A 81 2.614 1.511 5.488 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.235 0.671 3.913 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.299 -0.819 3.546 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.028 -1.283 2.971 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.687 -1.666 4.749 1.00 0.00 C ATOM 0 H LEU A 81 -1.661 1.755 5.619 1.00 0.00 H new ATOM 0 HA LEU A 81 0.578 0.055 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.232 1.097 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.412 1.175 3.195 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.070 -0.945 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.964 -2.341 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.257 -0.707 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.816 -1.134 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.724 -2.716 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.051 -1.534 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.667 -1.355 5.112 1.00 0.00 H new ATOM 1113 N GLU A 82 1.210 3.216 5.035 1.00 0.00 N ATOM 1114 CA GLU A 82 2.273 4.209 4.991 1.00 0.00 C ATOM 1115 C GLU A 82 2.917 4.330 6.362 1.00 0.00 C ATOM 1116 O GLU A 82 4.136 4.234 6.503 1.00 0.00 O ATOM 1117 CB GLU A 82 1.720 5.561 4.554 1.00 0.00 C ATOM 1118 CG GLU A 82 2.797 6.574 4.203 1.00 0.00 C ATOM 1119 CD GLU A 82 3.006 7.604 5.296 1.00 0.00 C ATOM 1120 OE1 GLU A 82 3.781 7.323 6.235 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.396 8.690 5.213 1.00 0.00 O ATOM 0 H GLU A 82 0.275 3.587 4.864 1.00 0.00 H new ATOM 0 HA GLU A 82 3.023 3.891 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.073 5.417 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.099 5.966 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.735 6.052 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.526 7.082 3.277 1.00 0.00 H new ATOM 1128 N ARG A 83 2.080 4.526 7.376 1.00 0.00 N ATOM 1129 CA ARG A 83 2.557 4.640 8.749 1.00 0.00 C ATOM 1130 C ARG A 83 3.501 3.485 9.066 1.00 0.00 C ATOM 1131 O ARG A 83 4.615 3.690 9.552 1.00 0.00 O ATOM 1132 CB ARG A 83 1.381 4.644 9.727 1.00 0.00 C ATOM 1133 CG ARG A 83 0.899 6.037 10.095 1.00 0.00 C ATOM 1134 CD ARG A 83 -0.052 6.004 11.280 1.00 0.00 C ATOM 1135 NE ARG A 83 -0.445 7.346 11.704 1.00 0.00 N ATOM 1136 CZ ARG A 83 -1.507 7.603 12.464 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -2.284 6.614 12.887 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -1.792 8.853 12.804 1.00 0.00 N ATOM 0 H ARG A 83 1.069 4.609 7.272 1.00 0.00 H new ATOM 0 HA ARG A 83 3.096 5.581 8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.553 4.086 9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.674 4.118 10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.755 6.668 10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.398 6.488 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.942 5.432 11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.424 5.486 12.112 1.00 0.00 H new ATOM 0 HE ARG A 83 0.129 8.133 11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.069 5.651 12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.097 6.817 13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.197 9.617 12.483 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.606 9.050 13.386 1.00 0.00 H new ATOM 1152 N GLN A 84 3.054 2.269 8.760 1.00 0.00 N ATOM 1153 CA GLN A 84 3.871 1.086 8.987 1.00 0.00 C ATOM 1154 C GLN A 84 5.153 1.188 8.168 1.00 0.00 C ATOM 1155 O GLN A 84 6.248 0.909 8.663 1.00 0.00 O ATOM 1156 CB GLN A 84 3.094 -0.180 8.623 1.00 0.00 C ATOM 1157 CG GLN A 84 2.111 -0.611 9.696 1.00 0.00 C ATOM 1158 CD GLN A 84 1.376 -1.887 9.339 1.00 0.00 C ATOM 1159 OE1 GLN A 84 0.050 -1.840 9.392 1.00 0.00 O flip ATOM 1160 NE2 GLN A 84 1.991 -2.904 9.019 1.00 0.00 N flip ATOM 0 H GLN A 84 2.136 2.081 8.357 1.00 0.00 H new ATOM 0 HA GLN A 84 4.130 1.027 10.044 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.553 -0.011 7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.799 -0.991 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.645 -0.755 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.387 0.187 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.011 -2.896 8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.481 -3.755 8.781 1.00 0.00 H new ATOM 1167 N LEU A 85 5.012 1.632 6.916 1.00 0.00 N ATOM 1168 CA LEU A 85 6.165 1.816 6.040 1.00 0.00 C ATOM 1169 C LEU A 85 7.192 2.689 6.747 1.00 0.00 C ATOM 1170 O LEU A 85 8.358 2.312 6.906 1.00 0.00 O ATOM 1171 CB LEU A 85 5.738 2.482 4.727 1.00 0.00 C ATOM 1172 CG LEU A 85 5.708 1.566 3.501 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.575 1.976 2.569 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.047 1.599 2.773 1.00 0.00 C ATOM 0 H LEU A 85 4.115 1.869 6.491 1.00 0.00 H new ATOM 0 HA LEU A 85 6.599 0.843 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.745 2.910 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.416 3.310 4.523 1.00 0.00 H new ATOM 0 HG LEU A 85 5.531 0.543 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.563 1.318 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.624 1.899 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.726 3.005 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.005 0.941 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.259 2.617 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.835 1.262 3.446 1.00 0.00 H new ATOM 1180 N ASN A 86 6.733 3.855 7.195 1.00 0.00 N ATOM 1181 CA ASN A 86 7.588 4.785 7.913 1.00 0.00 C ATOM 1182 C ASN A 86 8.146 4.106 9.153 1.00 0.00 C ATOM 1183 O ASN A 86 9.293 4.333 9.530 1.00 0.00 O ATOM 1184 CB ASN A 86 6.810 6.050 8.293 1.00 0.00 C ATOM 1185 CG ASN A 86 7.693 7.282 8.322 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.912 7.191 8.184 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.078 8.445 8.502 1.00 0.00 N ATOM 0 H ASN A 86 5.772 4.175 7.071 1.00 0.00 H new ATOM 0 HA ASN A 86 8.414 5.082 7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.000 6.203 7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.351 5.911 9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.619 9.309 8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.064 8.474 8.612 1.00 0.00 H new ATOM 1192 N LYS A 87 7.340 3.238 9.762 1.00 0.00 N ATOM 1193 CA LYS A 87 7.785 2.496 10.934 1.00 0.00 C ATOM 1194 C LYS A 87 9.015 1.693 10.563 1.00 0.00 C ATOM 1195 O LYS A 87 10.006 1.678 11.290 1.00 0.00 O ATOM 1196 CB LYS A 87 6.695 1.548 11.428 1.00 0.00 C ATOM 1197 CG LYS A 87 6.214 1.852 12.837 1.00 0.00 C ATOM 1198 CD LYS A 87 6.935 1.000 13.869 1.00 0.00 C ATOM 1199 CE LYS A 87 7.005 1.699 15.217 1.00 0.00 C ATOM 1200 NZ LYS A 87 5.860 1.329 16.095 1.00 0.00 N ATOM 0 H LYS A 87 6.386 3.034 9.465 1.00 0.00 H new ATOM 0 HA LYS A 87 8.013 3.202 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.847 1.597 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.072 0.526 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.376 2.907 13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.141 1.674 12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.420 0.046 13.979 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.944 0.779 13.520 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.941 1.440 15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.013 2.778 15.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.945 1.827 17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.968 1.599 15.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.867 0.302 16.260 1.00 0.00 H new ATOM 1214 N LEU A 88 8.951 1.041 9.405 1.00 0.00 N ATOM 1215 CA LEU A 88 10.079 0.262 8.930 1.00 0.00 C ATOM 1216 C LEU A 88 11.254 1.194 8.703 1.00 0.00 C ATOM 1217 O LEU A 88 12.341 0.997 9.244 1.00 0.00 O ATOM 1218 CB LEU A 88 9.745 -0.458 7.623 1.00 0.00 C ATOM 1219 CG LEU A 88 8.420 -1.215 7.597 1.00 0.00 C ATOM 1220 CD1 LEU A 88 8.341 -2.079 6.351 1.00 0.00 C ATOM 1221 CD2 LEU A 88 8.260 -2.067 8.846 1.00 0.00 C ATOM 0 H LEU A 88 8.138 1.039 8.788 1.00 0.00 H new ATOM 0 HA LEU A 88 10.324 -0.491 9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.737 0.277 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.548 -1.162 7.404 1.00 0.00 H new ATOM 0 HG LEU A 88 7.606 -0.490 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.392 -2.616 6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.411 -1.447 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.163 -2.795 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.309 -2.597 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.075 -2.788 8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.281 -1.427 9.728 1.00 0.00 H new ATOM 1227 N GLN A 89 11.005 2.235 7.913 1.00 0.00 N ATOM 1228 CA GLN A 89 12.033 3.238 7.628 1.00 0.00 C ATOM 1229 C GLN A 89 12.580 3.794 8.941 1.00 0.00 C ATOM 1230 O GLN A 89 13.738 4.205 9.028 1.00 0.00 O ATOM 1231 CB GLN A 89 11.478 4.403 6.787 1.00 0.00 C ATOM 1232 CG GLN A 89 10.737 4.005 5.514 1.00 0.00 C ATOM 1233 CD GLN A 89 11.521 3.072 4.624 1.00 0.00 C ATOM 1234 OE1 GLN A 89 12.576 2.563 4.998 1.00 0.00 O ATOM 1235 NE2 GLN A 89 11.001 2.847 3.426 1.00 0.00 N ATOM 0 H GLN A 89 10.107 2.408 7.460 1.00 0.00 H new ATOM 0 HA GLN A 89 12.823 2.750 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.802 4.988 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.306 5.057 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.795 3.528 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.488 4.905 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.123 3.292 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.479 2.229 2.770 1.00 0.00 H new ATOM 1242 N HIS A 90 11.723 3.800 9.960 1.00 0.00 N ATOM 1243 CA HIS A 90 12.077 4.299 11.282 1.00 0.00 C ATOM 1244 C HIS A 90 12.916 3.282 12.043 1.00 0.00 C ATOM 1245 O HIS A 90 14.008 3.592 12.522 1.00 0.00 O ATOM 1246 CB HIS A 90 10.804 4.596 12.074 1.00 0.00 C ATOM 1247 CG HIS A 90 10.098 5.842 11.634 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.762 6.976 11.219 1.00 0.00 N ATOM 1249 CD2 HIS A 90 8.777 6.127 11.543 1.00 0.00 C ATOM 1250 CE1 HIS A 90 9.881 7.906 10.894 1.00 0.00 C ATOM 1251 NE2 HIS A 90 8.671 7.416 11.082 1.00 0.00 N ATOM 0 H HIS A 90 10.764 3.459 9.890 1.00 0.00 H new ATOM 0 HA HIS A 90 12.663 5.210 11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.123 3.750 11.980 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.057 4.686 13.131 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.960 5.464 11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.112 8.898 10.536 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.797 7.914 10.912 1.00 0.00 H new