USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 919 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= -0.613 F(o=-3.1!,f=0.11) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.722 K(o=0.11,f=-6.3!) USER MOD Set 3.1: A 46 MET CE :methyl -137:sc= -1.08 (180deg=-1.27) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0.497) USER MOD Set 4.1: A 7 GLN :FLIP amide:sc= -0.0402 F(o=-0.55,f=0.12) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.156 K(o=0.12,f=-2!) USER MOD Set 5.1: A 10 GLN : amide:sc=-0.00288 X(o=-0.007,f=0) USER MOD Set 5.2: A 26 CYS SG : rot 130:sc= -0.0041 USER MOD Single : A 2 SER OG : rot 39:sc= 0.121 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 12 ASN :FLIP amide:sc= -3.41 F(o=-4.4!,f=-3.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= 0.549 (180deg=0.111) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 27 TYR OH : rot 50:sc= 0.765 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0258 F(o=-0.99,f=-0.026) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0259 F(o=-0.67,f=-0.026) USER MOD Single : A 37 ASN : amide:sc= 0.654 K(o=0.65,f=-4.1!) USER MOD Single : A 42 SER OG : rot 39:sc= -0.158 USER MOD Single : A 43 ASN : amide:sc= -0.793 K(o=-0.79,f=-4.2!) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.116 F(o=-1.3,f=-0.12) USER MOD Single : A 59 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.255 (180deg=-1.68) USER MOD Single : A 61 CYS SG : rot 81:sc= 0.392 USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 73 HIS : no HE2:sc= -1.58! K(o=-1.6!,f=-2.2) USER MOD Single : A 78 SER OG : rot -32:sc= 0.0128 USER MOD Single : A 79 LYS NZ :NH3+ 151:sc= -0.646! (180deg=-1.25!) USER MOD Single : A 81 GLN : amide:sc= -13! C(o=-13!,f=-16!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 93 SER OG : rot -159:sc= 0.0301 USER MOD Single : A 95 GLN : amide:sc= 0.374 X(o=0.37,f=-0.057) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 703 THR OG1 : rot 170:sc= -0.707 USER MOD Single : B 705 MET CE :methyl 162:sc= -1.92! (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 25.204 -7.471 -3.149 1.00 0.00 N ATOM 2 CA SER A 2 24.511 -7.073 -4.387 1.00 0.00 C ATOM 3 C SER A 2 23.580 -8.181 -4.862 1.00 0.00 C ATOM 4 O SER A 2 24.026 -9.292 -5.136 1.00 0.00 O ATOM 5 CB SER A 2 25.520 -6.723 -5.480 1.00 0.00 C ATOM 6 OG SER A 2 26.350 -5.677 -5.026 1.00 0.00 O ATOM 0 HA SER A 2 23.913 -6.188 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.121 -7.597 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.000 -6.422 -6.389 1.00 0.00 H new ATOM 0 HG SER A 2 26.564 -5.816 -4.080 1.00 0.00 H new ATOM 14 N GLN A 3 22.282 -7.876 -4.955 1.00 0.00 N ATOM 15 CA GLN A 3 21.268 -8.837 -5.383 1.00 0.00 C ATOM 16 C GLN A 3 20.106 -8.152 -6.107 1.00 0.00 C ATOM 17 O GLN A 3 19.087 -8.786 -6.380 1.00 0.00 O ATOM 18 CB GLN A 3 20.769 -9.618 -4.163 1.00 0.00 C ATOM 19 CG GLN A 3 20.085 -8.699 -3.145 1.00 0.00 C ATOM 20 CD GLN A 3 19.597 -9.468 -1.922 1.00 0.00 C ATOM 21 OE1 GLN A 3 19.468 -10.688 -1.948 1.00 0.00 O ATOM 22 NE2 GLN A 3 19.322 -8.755 -0.835 1.00 0.00 N ATOM 0 H GLN A 3 21.907 -6.953 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 3 21.720 -9.526 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 3 20.069 -10.389 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 3 21.608 -10.127 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 3 20.782 -7.922 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.241 -8.197 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.440 -7.742 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 3 18.993 -9.221 0.011 1.00 0.00 H new ATOM 31 N PHE A 4 20.253 -6.861 -6.416 1.00 0.00 N ATOM 32 CA PHE A 4 19.215 -6.062 -7.054 1.00 0.00 C ATOM 33 C PHE A 4 19.902 -4.860 -7.673 1.00 0.00 C ATOM 34 O PHE A 4 19.573 -4.412 -8.769 1.00 0.00 O ATOM 35 CB PHE A 4 18.243 -5.588 -5.964 1.00 0.00 C ATOM 36 CG PHE A 4 17.242 -4.533 -6.390 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.592 -3.172 -6.391 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.945 -4.915 -6.762 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.638 -2.204 -6.732 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.995 -3.945 -7.112 1.00 0.00 C ATOM 41 CZ PHE A 4 15.341 -2.589 -7.090 1.00 0.00 C ATOM 0 H PHE A 4 21.108 -6.339 -6.226 1.00 0.00 H new ATOM 0 HA PHE A 4 18.671 -6.627 -7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.695 -6.453 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.825 -5.195 -5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.596 -2.872 -6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.677 -5.961 -6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.904 -1.157 -6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.997 -4.244 -7.398 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.607 -1.840 -7.349 1.00 0.00 H new ATOM 51 N GLU A 5 20.874 -4.354 -6.918 1.00 0.00 N ATOM 52 CA GLU A 5 21.703 -3.230 -7.260 1.00 0.00 C ATOM 53 C GLU A 5 22.364 -3.368 -8.618 1.00 0.00 C ATOM 54 O GLU A 5 22.227 -2.480 -9.447 1.00 0.00 O ATOM 55 CB GLU A 5 22.796 -3.134 -6.208 1.00 0.00 C ATOM 56 CG GLU A 5 22.240 -2.780 -4.830 1.00 0.00 C ATOM 57 CD GLU A 5 21.576 -3.959 -4.122 1.00 0.00 C ATOM 58 OE1 GLU A 5 21.902 -5.114 -4.477 1.00 0.00 O ATOM 59 OE2 GLU A 5 20.742 -3.697 -3.227 1.00 0.00 O ATOM 0 H GLU A 5 21.107 -4.747 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 5 21.070 -2.344 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.327 -4.084 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.523 -2.380 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.050 -2.401 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.514 -1.974 -4.936 1.00 0.00 H new ATOM 66 N LYS A 6 23.087 -4.459 -8.879 1.00 0.00 N ATOM 67 CA LYS A 6 23.865 -4.571 -10.084 1.00 0.00 C ATOM 68 C LYS A 6 23.019 -4.439 -11.333 1.00 0.00 C ATOM 69 O LYS A 6 23.388 -3.729 -12.261 1.00 0.00 O ATOM 70 CB LYS A 6 24.551 -5.921 -10.028 1.00 0.00 C ATOM 71 CG LYS A 6 25.612 -6.079 -11.102 1.00 0.00 C ATOM 72 CD LYS A 6 26.664 -4.972 -11.029 1.00 0.00 C ATOM 73 CE LYS A 6 27.448 -5.041 -9.719 1.00 0.00 C ATOM 74 NZ LYS A 6 28.423 -3.940 -9.634 1.00 0.00 N ATOM 0 H LYS A 6 23.141 -5.270 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 6 24.589 -3.758 -10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.009 -6.052 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.806 -6.709 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.097 -7.049 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.139 -6.067 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.350 -5.062 -11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.179 -4.000 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.760 -4.989 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.966 -5.998 -9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.860 -3.935 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 29.160 -4.072 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.939 -3.034 -9.796 1.00 0.00 H new ATOM 88 N GLN A 7 21.878 -5.125 -11.354 1.00 0.00 N ATOM 89 CA GLN A 7 20.961 -5.072 -12.473 1.00 0.00 C ATOM 90 C GLN A 7 20.359 -3.676 -12.602 1.00 0.00 C ATOM 91 O GLN A 7 19.803 -3.333 -13.645 1.00 0.00 O ATOM 92 CB GLN A 7 19.894 -6.135 -12.254 1.00 0.00 C ATOM 93 CG GLN A 7 20.626 -7.447 -11.963 1.00 0.00 C ATOM 94 CD GLN A 7 19.693 -8.623 -12.075 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.201 -8.859 -13.282 1.00 0.00 O flip ATOM 96 NE2 GLN A 7 19.414 -9.313 -11.100 1.00 0.00 N flip ATOM 0 H GLN A 7 21.570 -5.730 -10.593 1.00 0.00 H new ATOM 0 HA GLN A 7 21.481 -5.274 -13.409 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.243 -5.863 -11.423 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.261 -6.234 -13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.454 -7.568 -12.661 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.056 -7.413 -10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.816 -9.095 -10.189 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.780 -10.105 -11.201 1.00 0.00 H new ATOM 105 N LYS A 8 20.470 -2.868 -11.540 1.00 0.00 N ATOM 106 CA LYS A 8 20.030 -1.486 -11.538 1.00 0.00 C ATOM 107 C LYS A 8 21.168 -0.575 -11.989 1.00 0.00 C ATOM 108 O LYS A 8 21.066 0.014 -13.060 1.00 0.00 O ATOM 109 CB LYS A 8 19.553 -1.177 -10.122 1.00 0.00 C ATOM 110 CG LYS A 8 18.883 0.183 -9.983 1.00 0.00 C ATOM 111 CD LYS A 8 18.196 0.181 -8.620 1.00 0.00 C ATOM 112 CE LYS A 8 19.191 -0.008 -7.479 1.00 0.00 C ATOM 113 NZ LYS A 8 20.100 1.152 -7.342 1.00 0.00 N ATOM 0 H LYS A 8 20.874 -3.168 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 8 19.212 -1.316 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.853 -1.951 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.405 -1.223 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.616 0.987 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.161 0.345 -10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.661 1.120 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.453 -0.616 -8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.649 -0.157 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.777 -0.910 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.760 0.985 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.636 1.279 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.543 2.009 -7.149 1.00 0.00 H new ATOM 127 N GLU A 9 22.241 -0.452 -11.201 1.00 0.00 N ATOM 128 CA GLU A 9 23.345 0.455 -11.508 1.00 0.00 C ATOM 129 C GLU A 9 24.062 0.109 -12.815 1.00 0.00 C ATOM 130 O GLU A 9 24.685 0.992 -13.400 1.00 0.00 O ATOM 131 CB GLU A 9 24.338 0.561 -10.352 1.00 0.00 C ATOM 132 CG GLU A 9 24.694 -0.818 -9.813 1.00 0.00 C ATOM 133 CD GLU A 9 26.112 -0.859 -9.251 1.00 0.00 C ATOM 134 OE1 GLU A 9 26.369 -0.131 -8.268 1.00 0.00 O ATOM 135 OE2 GLU A 9 26.930 -1.622 -9.807 1.00 0.00 O ATOM 0 H GLU A 9 22.366 -0.978 -10.336 1.00 0.00 H new ATOM 0 HA GLU A 9 22.888 1.434 -11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 9 25.242 1.068 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 9 23.910 1.168 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.986 -1.097 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.598 -1.556 -10.610 1.00 0.00 H new ATOM 142 N GLN A 10 23.990 -1.134 -13.296 1.00 0.00 N ATOM 143 CA GLN A 10 24.476 -1.408 -14.642 1.00 0.00 C ATOM 144 C GLN A 10 23.634 -0.654 -15.669 1.00 0.00 C ATOM 145 O GLN A 10 24.176 -0.011 -16.567 1.00 0.00 O ATOM 146 CB GLN A 10 24.381 -2.907 -14.926 1.00 0.00 C ATOM 147 CG GLN A 10 25.070 -3.234 -16.251 1.00 0.00 C ATOM 148 CD GLN A 10 24.512 -4.511 -16.856 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.867 -5.615 -16.448 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.627 -4.364 -17.838 1.00 0.00 N ATOM 0 H GLN A 10 23.614 -1.937 -12.793 1.00 0.00 H new ATOM 0 HA GLN A 10 25.513 -1.081 -14.714 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.847 -3.469 -14.116 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.335 -3.212 -14.966 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.934 -2.408 -16.949 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.143 -3.342 -16.090 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.359 -3.430 -18.147 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.216 -5.186 -18.282 1.00 0.00 H new ATOM 159 N GLY A 11 22.309 -0.736 -15.534 1.00 0.00 N ATOM 160 CA GLY A 11 21.391 -0.099 -16.462 1.00 0.00 C ATOM 161 C GLY A 11 21.289 1.401 -16.202 1.00 0.00 C ATOM 162 O GLY A 11 20.795 2.132 -17.057 1.00 0.00 O ATOM 0 H GLY A 11 21.850 -1.245 -14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.727 -0.271 -17.485 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.405 -0.554 -16.370 1.00 0.00 H new ATOM 166 N ASN A 12 21.753 1.870 -15.035 1.00 0.00 N ATOM 167 CA ASN A 12 21.717 3.292 -14.709 1.00 0.00 C ATOM 168 C ASN A 12 22.451 4.076 -15.773 1.00 0.00 C ATOM 169 O ASN A 12 22.043 5.196 -16.055 1.00 0.00 O ATOM 170 CB ASN A 12 22.433 3.581 -13.387 1.00 0.00 C ATOM 171 CG ASN A 12 21.585 3.499 -12.129 1.00 0.00 C ATOM 172 OD1 ASN A 12 20.871 2.397 -11.940 1.00 0.00 O flip ATOM 173 ND2 ASN A 12 21.577 4.429 -11.330 1.00 0.00 N flip ATOM 0 H ASN A 12 22.156 1.282 -14.306 1.00 0.00 H new ATOM 0 HA ASN A 12 20.668 3.579 -14.641 1.00 0.00 H new ATOM 0 HB2 ASN A 12 23.262 2.880 -13.287 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.865 4.580 -13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.140 5.261 -11.510 1.00 0.00 H new ATOM 0 HD22 ASN A 12 21.008 4.371 -10.486 1.00 0.00 H new ATOM 180 N SER A 13 23.511 3.510 -16.362 1.00 0.00 N ATOM 181 CA SER A 13 24.269 4.255 -17.352 1.00 0.00 C ATOM 182 C SER A 13 23.808 3.933 -18.767 1.00 0.00 C ATOM 183 O SER A 13 23.855 4.809 -19.627 1.00 0.00 O ATOM 184 CB SER A 13 25.759 3.973 -17.191 1.00 0.00 C ATOM 185 OG SER A 13 26.160 4.221 -15.857 1.00 0.00 O ATOM 0 H SER A 13 23.850 2.567 -16.173 1.00 0.00 H new ATOM 0 HA SER A 13 24.091 5.317 -17.186 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.972 2.937 -17.456 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.332 4.601 -17.874 1.00 0.00 H new ATOM 0 HG SER A 13 27.118 4.035 -15.763 1.00 0.00 H new ATOM 191 N LEU A 14 23.357 2.702 -19.035 1.00 0.00 N ATOM 192 CA LEU A 14 22.850 2.331 -20.344 1.00 0.00 C ATOM 193 C LEU A 14 21.719 3.259 -20.772 1.00 0.00 C ATOM 194 O LEU A 14 21.651 3.679 -21.927 1.00 0.00 O ATOM 195 CB LEU A 14 22.371 0.895 -20.249 1.00 0.00 C ATOM 196 CG LEU A 14 23.527 -0.057 -19.934 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.251 -1.291 -20.748 1.00 0.00 C ATOM 198 CD2 LEU A 14 24.926 0.407 -20.349 1.00 0.00 C ATOM 0 H LEU A 14 23.337 1.946 -18.350 1.00 0.00 H new ATOM 0 HA LEU A 14 23.632 2.422 -21.098 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.609 0.814 -19.474 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.902 0.603 -21.189 1.00 0.00 H new ATOM 0 HG LEU A 14 23.554 -0.168 -18.850 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.039 -2.024 -20.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.291 -1.714 -20.453 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.223 -1.030 -21.806 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.658 -0.352 -20.073 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.953 0.561 -21.428 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.164 1.342 -19.843 1.00 0.00 H new ATOM 210 N PHE A 15 20.828 3.585 -19.836 1.00 0.00 N ATOM 211 CA PHE A 15 19.700 4.462 -20.102 1.00 0.00 C ATOM 212 C PHE A 15 20.177 5.848 -20.508 1.00 0.00 C ATOM 213 O PHE A 15 19.484 6.558 -21.229 1.00 0.00 O ATOM 214 CB PHE A 15 18.866 4.530 -18.825 1.00 0.00 C ATOM 215 CG PHE A 15 18.088 5.807 -18.626 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.896 6.038 -19.325 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.564 6.762 -17.716 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.162 7.208 -19.089 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.799 7.898 -17.426 1.00 0.00 C ATOM 220 CZ PHE A 15 16.605 8.130 -18.124 1.00 0.00 C ATOM 0 H PHE A 15 20.872 3.246 -18.875 1.00 0.00 H new ATOM 0 HA PHE A 15 19.103 4.075 -20.928 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.166 3.694 -18.824 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.529 4.392 -17.971 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.543 5.315 -20.045 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.522 6.621 -17.238 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.258 7.401 -19.647 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.127 8.593 -16.667 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.025 9.018 -17.920 1.00 0.00 H new ATOM 230 N LYS A 16 21.364 6.240 -20.044 1.00 0.00 N ATOM 231 CA LYS A 16 21.893 7.561 -20.339 1.00 0.00 C ATOM 232 C LYS A 16 22.703 7.593 -21.640 1.00 0.00 C ATOM 233 O LYS A 16 23.118 8.668 -22.072 1.00 0.00 O ATOM 234 CB LYS A 16 22.788 8.015 -19.186 1.00 0.00 C ATOM 235 CG LYS A 16 22.224 7.546 -17.855 1.00 0.00 C ATOM 236 CD LYS A 16 23.066 8.049 -16.690 1.00 0.00 C ATOM 237 CE LYS A 16 22.677 9.493 -16.372 1.00 0.00 C ATOM 238 NZ LYS A 16 23.344 9.969 -15.145 1.00 0.00 N ATOM 0 H LYS A 16 21.971 5.660 -19.465 1.00 0.00 H new ATOM 0 HA LYS A 16 21.042 8.231 -20.462 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.794 7.618 -19.321 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.871 9.102 -19.189 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.199 7.901 -17.746 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.187 6.457 -17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.911 7.417 -15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.125 7.992 -16.941 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.947 10.137 -17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.596 9.563 -16.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.734 10.661 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.520 9.164 -14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.249 10.418 -15.393 1.00 0.00 H new ATOM 252 N GLN A 17 22.931 6.435 -22.275 1.00 0.00 N ATOM 253 CA GLN A 17 23.788 6.320 -23.445 1.00 0.00 C ATOM 254 C GLN A 17 23.004 6.331 -24.751 1.00 0.00 C ATOM 255 O GLN A 17 23.565 6.660 -25.797 1.00 0.00 O ATOM 256 CB GLN A 17 24.562 5.002 -23.368 1.00 0.00 C ATOM 257 CG GLN A 17 25.707 5.131 -22.367 1.00 0.00 C ATOM 258 CD GLN A 17 26.664 3.950 -22.465 1.00 0.00 C ATOM 259 OE1 GLN A 17 26.163 2.749 -22.199 1.00 0.00 O flip ATOM 260 NE2 GLN A 17 27.840 4.113 -22.777 1.00 0.00 N flip ATOM 0 H GLN A 17 22.519 5.549 -21.982 1.00 0.00 H new ATOM 0 HA GLN A 17 24.454 7.183 -23.442 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.894 4.195 -23.068 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.954 4.742 -24.351 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.250 6.058 -22.550 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.304 5.192 -21.356 1.00 0.00 H new ATOM 0 HE21 GLN A 17 28.190 5.050 -22.974 1.00 0.00 H new ATOM 0 HE22 GLN A 17 28.467 3.311 -22.839 1.00 0.00 H new ATOM 269 N GLY A 18 21.718 5.977 -24.707 1.00 0.00 N ATOM 270 CA GLY A 18 20.919 5.907 -25.920 1.00 0.00 C ATOM 271 C GLY A 18 20.057 4.672 -25.988 1.00 0.00 C ATOM 272 O GLY A 18 19.036 4.643 -26.674 1.00 0.00 O ATOM 0 H GLY A 18 21.217 5.738 -23.852 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.284 6.791 -25.981 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.581 5.930 -26.786 1.00 0.00 H new ATOM 276 N LEU A 19 20.488 3.648 -25.262 1.00 0.00 N ATOM 277 CA LEU A 19 19.941 2.324 -25.390 1.00 0.00 C ATOM 278 C LEU A 19 19.019 2.030 -24.224 1.00 0.00 C ATOM 279 O LEU A 19 19.219 1.120 -23.423 1.00 0.00 O ATOM 280 CB LEU A 19 21.058 1.325 -25.649 1.00 0.00 C ATOM 281 CG LEU A 19 22.426 1.618 -25.022 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.417 1.171 -23.568 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.507 0.819 -25.747 1.00 0.00 C ATOM 0 H LEU A 19 21.231 3.724 -24.567 1.00 0.00 H new ATOM 0 HA LEU A 19 19.297 2.235 -26.265 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.727 0.349 -25.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.193 1.242 -26.727 1.00 0.00 H new ATOM 0 HG LEU A 19 22.628 2.686 -25.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.388 1.377 -23.118 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.643 1.713 -23.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.214 0.101 -23.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.478 1.030 -25.298 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.291 -0.246 -25.661 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.524 1.102 -26.799 1.00 0.00 H new ATOM 295 N TYR A 20 17.986 2.865 -24.176 1.00 0.00 N ATOM 296 CA TYR A 20 16.948 2.855 -23.174 1.00 0.00 C ATOM 297 C TYR A 20 16.403 1.453 -22.972 1.00 0.00 C ATOM 298 O TYR A 20 16.159 1.059 -21.839 1.00 0.00 O ATOM 299 CB TYR A 20 15.854 3.791 -23.684 1.00 0.00 C ATOM 300 CG TYR A 20 16.419 5.111 -24.155 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.235 5.862 -23.290 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.147 5.576 -25.449 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.788 7.072 -23.733 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.698 6.786 -25.894 1.00 0.00 C ATOM 305 CZ TYR A 20 17.524 7.536 -25.037 1.00 0.00 C ATOM 306 OH TYR A 20 18.062 8.716 -25.462 1.00 0.00 O ATOM 0 H TYR A 20 17.852 3.599 -24.872 1.00 0.00 H new ATOM 0 HA TYR A 20 17.332 3.183 -22.208 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.319 3.312 -24.504 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.129 3.969 -22.890 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.435 5.508 -22.289 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.511 5.000 -26.105 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.418 7.650 -23.073 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.489 7.141 -26.892 1.00 0.00 H new ATOM 0 HH TYR A 20 17.782 8.889 -26.385 1.00 0.00 H new ATOM 316 N ARG A 21 16.220 0.689 -24.054 1.00 0.00 N ATOM 317 CA ARG A 21 15.605 -0.626 -23.973 1.00 0.00 C ATOM 318 C ARG A 21 16.593 -1.603 -23.370 1.00 0.00 C ATOM 319 O ARG A 21 16.211 -2.420 -22.543 1.00 0.00 O ATOM 320 CB ARG A 21 15.258 -1.065 -25.397 1.00 0.00 C ATOM 321 CG ARG A 21 14.007 -1.932 -25.462 1.00 0.00 C ATOM 322 CD ARG A 21 13.956 -3.042 -24.413 1.00 0.00 C ATOM 323 NE ARG A 21 12.776 -3.889 -24.605 1.00 0.00 N ATOM 324 CZ ARG A 21 12.538 -5.009 -23.917 1.00 0.00 C ATOM 325 NH1 ARG A 21 13.388 -5.427 -22.980 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.441 -5.718 -24.158 1.00 0.00 N ATOM 0 H ARG A 21 16.493 0.967 -24.997 1.00 0.00 H new ATOM 0 HA ARG A 21 14.710 -0.597 -23.352 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.114 -0.182 -26.019 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.099 -1.617 -25.817 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.131 -1.295 -25.343 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.942 -2.381 -26.453 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.859 -3.649 -24.476 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.936 -2.604 -23.415 1.00 0.00 H new ATOM 0 HE ARG A 21 12.093 -3.606 -25.308 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.232 -4.890 -22.781 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.195 -6.284 -22.462 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.779 -5.407 -24.869 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.261 -6.573 -23.632 1.00 0.00 H new ATOM 340 N GLU A 22 17.856 -1.524 -23.782 1.00 0.00 N ATOM 341 CA GLU A 22 18.888 -2.378 -23.224 1.00 0.00 C ATOM 342 C GLU A 22 19.037 -2.090 -21.735 1.00 0.00 C ATOM 343 O GLU A 22 19.400 -2.965 -20.953 1.00 0.00 O ATOM 344 CB GLU A 22 20.207 -2.116 -23.931 1.00 0.00 C ATOM 345 CG GLU A 22 20.035 -2.370 -25.423 1.00 0.00 C ATOM 346 CD GLU A 22 19.700 -3.827 -25.730 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.621 -4.667 -25.649 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.518 -4.098 -26.046 1.00 0.00 O ATOM 0 H GLU A 22 18.184 -0.877 -24.499 1.00 0.00 H new ATOM 0 HA GLU A 22 18.608 -3.422 -23.364 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.527 -1.088 -23.760 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.985 -2.764 -23.527 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.243 -1.729 -25.809 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.951 -2.093 -25.944 1.00 0.00 H new ATOM 355 N ALA A 23 18.748 -0.844 -21.355 1.00 0.00 N ATOM 356 CA ALA A 23 18.752 -0.419 -19.972 1.00 0.00 C ATOM 357 C ALA A 23 17.566 -1.030 -19.222 1.00 0.00 C ATOM 358 O ALA A 23 17.711 -1.421 -18.064 1.00 0.00 O ATOM 359 CB ALA A 23 18.715 1.109 -19.920 1.00 0.00 C ATOM 0 H ALA A 23 18.504 -0.102 -22.011 1.00 0.00 H new ATOM 0 HA ALA A 23 19.662 -0.766 -19.482 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.718 1.438 -18.881 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.590 1.512 -20.430 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.811 1.468 -20.412 1.00 0.00 H new ATOM 365 N VAL A 24 16.392 -1.130 -19.861 1.00 0.00 N ATOM 366 CA VAL A 24 15.207 -1.667 -19.244 1.00 0.00 C ATOM 367 C VAL A 24 15.328 -3.169 -19.136 1.00 0.00 C ATOM 368 O VAL A 24 14.750 -3.817 -18.272 1.00 0.00 O ATOM 369 CB VAL A 24 13.939 -1.341 -20.027 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.864 0.040 -20.652 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.392 -2.445 -20.908 1.00 0.00 C ATOM 0 H VAL A 24 16.254 -0.834 -20.827 1.00 0.00 H new ATOM 0 HA VAL A 24 15.126 -1.206 -18.260 1.00 0.00 H new ATOM 0 HB VAL A 24 13.222 -1.285 -19.208 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.917 0.149 -21.180 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.934 0.797 -19.871 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.688 0.167 -21.355 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.491 -2.095 -21.413 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.140 -2.722 -21.651 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.151 -3.314 -20.295 1.00 0.00 H new ATOM 381 N HIS A 25 16.112 -3.694 -20.059 1.00 0.00 N ATOM 382 CA HIS A 25 16.401 -5.099 -20.192 1.00 0.00 C ATOM 383 C HIS A 25 17.114 -5.659 -18.960 1.00 0.00 C ATOM 384 O HIS A 25 17.315 -6.870 -18.866 1.00 0.00 O ATOM 385 CB HIS A 25 17.237 -5.273 -21.448 1.00 0.00 C ATOM 386 CG HIS A 25 16.766 -6.397 -22.324 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.455 -7.701 -21.929 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.543 -6.265 -23.660 1.00 0.00 C ATOM 389 CE1 HIS A 25 16.036 -8.314 -23.052 1.00 0.00 C ATOM 390 NE2 HIS A 25 16.088 -7.480 -24.107 1.00 0.00 N ATOM 0 H HIS A 25 16.582 -3.124 -20.763 1.00 0.00 H new ATOM 0 HA HIS A 25 15.471 -5.663 -20.273 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.220 -4.345 -22.019 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.274 -5.453 -21.164 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.695 -5.376 -24.254 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.702 -9.340 -23.100 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.834 -7.710 -25.068 1.00 0.00 H new ATOM 398 N CYS A 26 17.486 -4.782 -18.020 1.00 0.00 N ATOM 399 CA CYS A 26 18.074 -5.159 -16.744 1.00 0.00 C ATOM 400 C CYS A 26 17.230 -4.573 -15.613 1.00 0.00 C ATOM 401 O CYS A 26 17.218 -5.095 -14.501 1.00 0.00 O ATOM 402 CB CYS A 26 19.517 -4.659 -16.678 1.00 0.00 C ATOM 403 SG CYS A 26 20.476 -5.402 -18.021 1.00 0.00 S ATOM 0 H CYS A 26 17.382 -3.774 -18.134 1.00 0.00 H new ATOM 0 HA CYS A 26 18.088 -6.244 -16.639 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.540 -3.572 -16.758 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.959 -4.917 -15.716 1.00 0.00 H new ATOM 0 HG CYS A 26 21.121 -4.472 -18.660 1.00 0.00 H new ATOM 409 N TYR A 27 16.519 -3.482 -15.913 1.00 0.00 N ATOM 410 CA TYR A 27 15.519 -2.887 -15.043 1.00 0.00 C ATOM 411 C TYR A 27 14.377 -3.864 -14.812 1.00 0.00 C ATOM 412 O TYR A 27 13.787 -3.883 -13.737 1.00 0.00 O ATOM 413 CB TYR A 27 14.949 -1.681 -15.781 1.00 0.00 C ATOM 414 CG TYR A 27 15.848 -0.479 -15.940 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.090 -0.391 -15.293 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.401 0.574 -16.746 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.869 0.763 -15.446 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.162 1.732 -16.893 1.00 0.00 C ATOM 419 CZ TYR A 27 17.407 1.828 -16.244 1.00 0.00 C ATOM 420 OH TYR A 27 18.159 2.949 -16.385 1.00 0.00 O ATOM 0 H TYR A 27 16.632 -2.980 -16.794 1.00 0.00 H new ATOM 0 HA TYR A 27 15.968 -2.619 -14.086 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.643 -2.007 -16.775 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.047 -1.361 -15.259 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.443 -1.208 -14.681 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.455 0.488 -17.260 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.826 0.836 -14.951 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.800 2.549 -17.500 1.00 0.00 H new ATOM 0 HH TYR A 27 19.074 2.700 -16.632 1.00 0.00 H new ATOM 430 N ASP A 28 14.062 -4.676 -15.824 1.00 0.00 N ATOM 431 CA ASP A 28 12.961 -5.616 -15.782 1.00 0.00 C ATOM 432 C ASP A 28 13.212 -6.680 -14.719 1.00 0.00 C ATOM 433 O ASP A 28 12.265 -7.210 -14.141 1.00 0.00 O ATOM 434 CB ASP A 28 12.791 -6.242 -17.166 1.00 0.00 C ATOM 435 CG ASP A 28 11.536 -7.106 -17.232 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.435 -6.514 -17.282 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.687 -8.348 -17.233 1.00 0.00 O ATOM 0 H ASP A 28 14.578 -4.692 -16.704 1.00 0.00 H new ATOM 0 HA ASP A 28 12.041 -5.098 -15.513 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.734 -5.456 -17.919 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.665 -6.848 -17.404 1.00 0.00 H new ATOM 442 N GLN A 29 14.483 -6.998 -14.451 1.00 0.00 N ATOM 443 CA GLN A 29 14.802 -7.941 -13.398 1.00 0.00 C ATOM 444 C GLN A 29 14.683 -7.308 -12.013 1.00 0.00 C ATOM 445 O GLN A 29 14.665 -8.036 -11.026 1.00 0.00 O ATOM 446 CB GLN A 29 16.197 -8.521 -13.589 1.00 0.00 C ATOM 447 CG GLN A 29 16.253 -9.430 -14.813 1.00 0.00 C ATOM 448 CD GLN A 29 16.786 -8.709 -16.039 1.00 0.00 C ATOM 449 OE1 GLN A 29 17.979 -8.437 -16.128 1.00 0.00 O ATOM 450 NE2 GLN A 29 15.912 -8.397 -16.989 1.00 0.00 N ATOM 0 H GLN A 29 15.290 -6.618 -14.946 1.00 0.00 H new ATOM 0 HA GLN A 29 14.073 -8.749 -13.462 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.918 -7.711 -13.701 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.484 -9.084 -12.701 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.886 -10.290 -14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.255 -9.814 -15.024 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.928 -8.641 -16.877 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.225 -7.913 -17.831 1.00 0.00 H new ATOM 459 N LEU A 30 14.598 -5.979 -11.911 1.00 0.00 N ATOM 460 CA LEU A 30 14.380 -5.348 -10.615 1.00 0.00 C ATOM 461 C LEU A 30 12.965 -5.655 -10.160 1.00 0.00 C ATOM 462 O LEU A 30 12.714 -5.822 -8.967 1.00 0.00 O ATOM 463 CB LEU A 30 14.552 -3.832 -10.723 1.00 0.00 C ATOM 464 CG LEU A 30 15.886 -3.452 -11.343 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.121 -1.952 -11.227 1.00 0.00 C ATOM 466 CD2 LEU A 30 17.043 -4.176 -10.664 1.00 0.00 C ATOM 0 H LEU A 30 14.676 -5.333 -12.696 1.00 0.00 H new ATOM 0 HA LEU A 30 15.107 -5.734 -9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.742 -3.417 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.474 -3.387 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 30 15.846 -3.745 -12.392 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.081 -1.698 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.325 -1.418 -11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.125 -1.665 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.982 -3.881 -11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.067 -3.913 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.909 -5.253 -10.767 1.00 0.00 H new ATOM 478 N ILE A 31 12.035 -5.732 -11.116 1.00 0.00 N ATOM 479 CA ILE A 31 10.666 -6.079 -10.798 1.00 0.00 C ATOM 480 C ILE A 31 10.573 -7.572 -10.517 1.00 0.00 C ATOM 481 O ILE A 31 9.790 -8.004 -9.689 1.00 0.00 O ATOM 482 CB ILE A 31 9.728 -5.694 -11.944 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.872 -4.233 -12.369 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.331 -5.842 -11.377 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.608 -4.130 -13.695 1.00 0.00 C ATOM 0 H ILE A 31 12.212 -5.559 -12.105 1.00 0.00 H new ATOM 0 HA ILE A 31 10.359 -5.525 -9.911 1.00 0.00 H new ATOM 0 HB ILE A 31 9.949 -6.316 -12.811 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.886 -3.776 -12.458 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.413 -3.678 -11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.599 -5.583 -12.142 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.175 -6.873 -11.059 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.213 -5.177 -10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.700 -3.082 -13.980 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.601 -4.567 -13.595 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.051 -4.667 -14.463 1.00 0.00 H new ATOM 497 N THR A 32 11.365 -8.398 -11.183 1.00 0.00 N ATOM 498 CA THR A 32 11.309 -9.825 -10.911 1.00 0.00 C ATOM 499 C THR A 32 12.088 -10.184 -9.645 1.00 0.00 C ATOM 500 O THR A 32 11.765 -11.180 -8.999 1.00 0.00 O ATOM 501 CB THR A 32 11.906 -10.538 -12.122 1.00 0.00 C ATOM 502 OG1 THR A 32 11.040 -10.395 -13.228 1.00 0.00 O ATOM 503 CG2 THR A 32 12.177 -12.023 -11.902 1.00 0.00 C ATOM 0 H THR A 32 12.037 -8.115 -11.897 1.00 0.00 H new ATOM 0 HA THR A 32 10.277 -10.133 -10.744 1.00 0.00 H new ATOM 0 HB THR A 32 12.871 -10.065 -12.302 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.424 -10.851 -14.006 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.600 -12.454 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.881 -12.146 -11.079 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.244 -12.531 -11.660 1.00 0.00 H new ATOM 511 N ALA A 33 13.100 -9.395 -9.281 1.00 0.00 N ATOM 512 CA ALA A 33 13.864 -9.647 -8.069 1.00 0.00 C ATOM 513 C ALA A 33 13.164 -9.012 -6.876 1.00 0.00 C ATOM 514 O ALA A 33 13.401 -9.397 -5.728 1.00 0.00 O ATOM 515 CB ALA A 33 15.265 -9.044 -8.207 1.00 0.00 C ATOM 0 H ALA A 33 13.406 -8.579 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 33 13.941 -10.724 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.834 -9.235 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.775 -9.499 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.184 -7.969 -8.366 1.00 0.00 H new ATOM 521 N GLN A 34 12.296 -8.034 -7.154 1.00 0.00 N ATOM 522 CA GLN A 34 11.521 -7.344 -6.145 1.00 0.00 C ATOM 523 C GLN A 34 10.258 -6.782 -6.785 1.00 0.00 C ATOM 524 O GLN A 34 10.128 -5.586 -7.016 1.00 0.00 O ATOM 525 CB GLN A 34 12.381 -6.245 -5.521 1.00 0.00 C ATOM 526 CG GLN A 34 11.948 -5.970 -4.079 1.00 0.00 C ATOM 527 CD GLN A 34 12.812 -4.904 -3.432 1.00 0.00 C ATOM 528 OE1 GLN A 34 14.097 -4.891 -3.764 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 12.334 -4.097 -2.642 1.00 0.00 N flip ATOM 0 H GLN A 34 12.117 -7.703 -8.102 1.00 0.00 H new ATOM 0 HA GLN A 34 11.220 -8.028 -5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.430 -6.542 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.297 -5.332 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.905 -5.652 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.008 -6.890 -3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.342 -4.137 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.929 -3.386 -2.217 1.00 0.00 H new ATOM 538 N PRO A 35 9.307 -7.665 -7.079 1.00 0.00 N ATOM 539 CA PRO A 35 8.071 -7.327 -7.761 1.00 0.00 C ATOM 540 C PRO A 35 7.188 -6.466 -6.881 1.00 0.00 C ATOM 541 O PRO A 35 6.181 -5.911 -7.310 1.00 0.00 O ATOM 542 CB PRO A 35 7.450 -8.662 -8.124 1.00 0.00 C ATOM 543 CG PRO A 35 8.162 -9.720 -7.280 1.00 0.00 C ATOM 544 CD PRO A 35 9.412 -9.065 -6.740 1.00 0.00 C ATOM 0 HA PRO A 35 8.226 -6.725 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.379 -8.660 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.571 -8.869 -9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.522 -10.064 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.411 -10.594 -7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.488 -9.200 -5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.306 -9.507 -7.181 1.00 0.00 H new ATOM 552 N GLN A 36 7.618 -6.380 -5.631 1.00 0.00 N ATOM 553 CA GLN A 36 7.093 -5.447 -4.654 1.00 0.00 C ATOM 554 C GLN A 36 8.005 -4.234 -4.471 1.00 0.00 C ATOM 555 O GLN A 36 8.203 -3.766 -3.350 1.00 0.00 O ATOM 556 CB GLN A 36 6.806 -6.154 -3.333 1.00 0.00 C ATOM 557 CG GLN A 36 5.805 -7.300 -3.504 1.00 0.00 C ATOM 558 CD GLN A 36 6.457 -8.632 -3.160 1.00 0.00 C ATOM 559 OE1 GLN A 36 7.161 -9.224 -4.121 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 6.333 -9.129 -2.045 1.00 0.00 N flip ATOM 0 H GLN A 36 8.361 -6.974 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 36 6.147 -5.062 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.737 -6.543 -2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.415 -5.435 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.940 -7.135 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.439 -7.322 -4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.786 -8.649 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.777 -10.022 -1.833 1.00 0.00 H new ATOM 569 N ASN A 37 8.562 -3.726 -5.573 1.00 0.00 N ATOM 570 CA ASN A 37 9.404 -2.539 -5.563 1.00 0.00 C ATOM 571 C ASN A 37 9.099 -1.670 -6.770 1.00 0.00 C ATOM 572 O ASN A 37 8.774 -2.168 -7.849 1.00 0.00 O ATOM 573 CB ASN A 37 10.882 -2.947 -5.531 1.00 0.00 C ATOM 574 CG ASN A 37 11.595 -2.593 -6.819 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.314 -1.606 -6.894 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.386 -3.405 -7.844 1.00 0.00 N ATOM 0 H ASN A 37 8.438 -4.133 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 37 9.193 -1.955 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.377 -2.453 -4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.958 -4.020 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.833 -3.219 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.778 -4.217 -7.736 1.00 0.00 H new ATOM 583 N PRO A 38 9.209 -0.356 -6.576 1.00 0.00 N ATOM 584 CA PRO A 38 8.856 0.631 -7.567 1.00 0.00 C ATOM 585 C PRO A 38 9.989 1.070 -8.480 1.00 0.00 C ATOM 586 O PRO A 38 9.714 1.213 -9.665 1.00 0.00 O ATOM 587 CB PRO A 38 8.430 1.791 -6.707 1.00 0.00 C ATOM 588 CG PRO A 38 9.362 1.744 -5.497 1.00 0.00 C ATOM 589 CD PRO A 38 9.625 0.261 -5.326 1.00 0.00 C ATOM 0 HA PRO A 38 8.112 0.236 -8.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.524 2.736 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.386 1.698 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.283 2.299 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.896 2.176 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.679 0.070 -5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.063 -0.142 -4.484 1.00 0.00 H new ATOM 597 N VAL A 39 11.231 1.284 -8.017 1.00 0.00 N ATOM 598 CA VAL A 39 12.334 1.552 -8.926 1.00 0.00 C ATOM 599 C VAL A 39 12.299 0.627 -10.131 1.00 0.00 C ATOM 600 O VAL A 39 12.658 1.004 -11.242 1.00 0.00 O ATOM 601 CB VAL A 39 13.676 1.434 -8.220 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.659 1.468 -6.702 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.567 0.338 -8.794 1.00 0.00 C ATOM 0 H VAL A 39 11.485 1.275 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 39 12.215 2.578 -9.275 1.00 0.00 H new ATOM 0 HB VAL A 39 14.151 2.384 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.677 1.375 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.231 2.412 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.056 0.641 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.508 0.309 -8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.064 -0.625 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.767 0.545 -9.845 1.00 0.00 H new ATOM 613 N GLY A 40 11.854 -0.595 -9.866 1.00 0.00 N ATOM 614 CA GLY A 40 11.681 -1.616 -10.884 1.00 0.00 C ATOM 615 C GLY A 40 10.842 -1.061 -12.029 1.00 0.00 C ATOM 616 O GLY A 40 11.281 -1.061 -13.178 1.00 0.00 O ATOM 0 H GLY A 40 11.601 -0.905 -8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.653 -1.941 -11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.195 -2.492 -10.455 1.00 0.00 H new ATOM 620 N TYR A 41 9.639 -0.580 -11.720 1.00 0.00 N ATOM 621 CA TYR A 41 8.771 0.052 -12.690 1.00 0.00 C ATOM 622 C TYR A 41 9.330 1.409 -13.098 1.00 0.00 C ATOM 623 O TYR A 41 9.148 1.831 -14.230 1.00 0.00 O ATOM 624 CB TYR A 41 7.425 0.265 -12.007 1.00 0.00 C ATOM 625 CG TYR A 41 6.718 -0.998 -11.587 1.00 0.00 C ATOM 626 CD1 TYR A 41 5.946 -1.719 -12.507 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.836 -1.443 -10.265 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.298 -2.897 -12.111 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.194 -2.621 -9.861 1.00 0.00 C ATOM 630 CZ TYR A 41 5.424 -3.353 -10.784 1.00 0.00 C ATOM 631 OH TYR A 41 4.797 -4.498 -10.394 1.00 0.00 O ATOM 0 H TYR A 41 9.244 -0.622 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 41 8.683 -0.570 -13.581 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.576 0.889 -11.126 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.775 0.820 -12.683 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.850 -1.367 -13.523 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.422 -0.878 -9.556 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.704 -3.453 -12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.290 -2.967 -8.842 1.00 0.00 H new ATOM 0 HH TYR A 41 4.988 -4.670 -9.448 1.00 0.00 H new ATOM 641 N SER A 42 10.013 2.090 -12.172 1.00 0.00 N ATOM 642 CA SER A 42 10.415 3.479 -12.341 1.00 0.00 C ATOM 643 C SER A 42 11.493 3.638 -13.400 1.00 0.00 C ATOM 644 O SER A 42 11.477 4.608 -14.153 1.00 0.00 O ATOM 645 CB SER A 42 10.951 4.033 -11.017 1.00 0.00 C ATOM 646 OG SER A 42 10.031 3.800 -9.977 1.00 0.00 O ATOM 0 H SER A 42 10.301 1.685 -11.281 1.00 0.00 H new ATOM 0 HA SER A 42 9.531 4.030 -12.661 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.905 3.563 -10.779 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.138 5.103 -11.112 1.00 0.00 H new ATOM 0 HG SER A 42 9.630 2.912 -10.087 1.00 0.00 H new ATOM 652 N ASN A 43 12.429 2.691 -13.461 1.00 0.00 N ATOM 653 CA ASN A 43 13.546 2.771 -14.381 1.00 0.00 C ATOM 654 C ASN A 43 13.088 2.307 -15.761 1.00 0.00 C ATOM 655 O ASN A 43 13.366 2.961 -16.765 1.00 0.00 O ATOM 656 CB ASN A 43 14.679 1.895 -13.843 1.00 0.00 C ATOM 657 CG ASN A 43 15.190 2.350 -12.482 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.650 3.264 -11.868 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.246 1.704 -12.004 1.00 0.00 N ATOM 0 H ASN A 43 12.428 1.856 -12.876 1.00 0.00 H new ATOM 0 HA ASN A 43 13.909 3.795 -14.471 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.330 0.865 -13.768 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.504 1.901 -14.555 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.635 1.963 -11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.669 0.949 -12.543 1.00 0.00 H new ATOM 666 N LYS A 44 12.380 1.172 -15.799 1.00 0.00 N ATOM 667 CA LYS A 44 11.746 0.649 -17.003 1.00 0.00 C ATOM 668 C LYS A 44 10.786 1.706 -17.551 1.00 0.00 C ATOM 669 O LYS A 44 10.574 1.770 -18.755 1.00 0.00 O ATOM 670 CB LYS A 44 11.021 -0.638 -16.613 1.00 0.00 C ATOM 671 CG LYS A 44 10.321 -1.298 -17.804 1.00 0.00 C ATOM 672 CD LYS A 44 9.756 -2.650 -17.370 1.00 0.00 C ATOM 673 CE LYS A 44 9.064 -3.340 -18.543 1.00 0.00 C ATOM 674 NZ LYS A 44 8.523 -4.657 -18.152 1.00 0.00 N ATOM 0 H LYS A 44 12.232 0.586 -14.978 1.00 0.00 H new ATOM 0 HA LYS A 44 12.469 0.424 -17.787 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.736 -1.338 -16.182 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.285 -0.417 -15.840 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.520 -0.657 -18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.024 -1.431 -18.626 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.559 -3.282 -16.991 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.048 -2.510 -16.553 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.256 -2.709 -18.913 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.772 -3.465 -19.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.931 -5.031 -18.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.308 -5.314 -17.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.948 -4.555 -17.291 1.00 0.00 H new ATOM 688 N ALA A 45 10.202 2.537 -16.678 1.00 0.00 N ATOM 689 CA ALA A 45 9.265 3.568 -17.097 1.00 0.00 C ATOM 690 C ALA A 45 9.981 4.761 -17.718 1.00 0.00 C ATOM 691 O ALA A 45 9.643 5.163 -18.827 1.00 0.00 O ATOM 692 CB ALA A 45 8.454 4.042 -15.892 1.00 0.00 C ATOM 0 H ALA A 45 10.369 2.508 -15.672 1.00 0.00 H new ATOM 0 HA ALA A 45 8.608 3.135 -17.851 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.752 4.814 -16.207 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.903 3.201 -15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.127 4.449 -15.138 1.00 0.00 H new ATOM 698 N MET A 46 10.969 5.333 -17.021 1.00 0.00 N ATOM 699 CA MET A 46 11.697 6.488 -17.536 1.00 0.00 C ATOM 700 C MET A 46 12.292 6.187 -18.910 1.00 0.00 C ATOM 701 O MET A 46 12.392 7.071 -19.761 1.00 0.00 O ATOM 702 CB MET A 46 12.802 6.871 -16.552 1.00 0.00 C ATOM 703 CG MET A 46 12.934 8.385 -16.397 1.00 0.00 C ATOM 704 SD MET A 46 13.420 9.301 -17.879 1.00 0.00 S ATOM 705 CE MET A 46 11.806 9.913 -18.430 1.00 0.00 C ATOM 0 H MET A 46 11.279 5.014 -16.103 1.00 0.00 H new ATOM 0 HA MET A 46 11.004 7.322 -17.646 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.592 6.424 -15.580 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.751 6.458 -16.894 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.979 8.778 -16.049 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.666 8.587 -15.614 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.723 9.798 -19.511 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.015 9.343 -17.942 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.708 10.967 -18.169 1.00 0.00 H new ATOM 715 N ALA A 47 12.686 4.933 -19.129 1.00 0.00 N ATOM 716 CA ALA A 47 13.224 4.518 -20.407 1.00 0.00 C ATOM 717 C ALA A 47 12.134 4.467 -21.475 1.00 0.00 C ATOM 718 O ALA A 47 12.393 4.818 -22.626 1.00 0.00 O ATOM 719 CB ALA A 47 13.863 3.147 -20.228 1.00 0.00 C ATOM 0 H ALA A 47 12.639 4.191 -18.431 1.00 0.00 H new ATOM 0 HA ALA A 47 13.968 5.240 -20.743 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.277 2.811 -21.179 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.661 3.211 -19.488 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.110 2.436 -19.889 1.00 0.00 H new ATOM 725 N LEU A 48 10.918 4.038 -21.121 1.00 0.00 N ATOM 726 CA LEU A 48 9.817 3.984 -22.071 1.00 0.00 C ATOM 727 C LEU A 48 9.433 5.372 -22.579 1.00 0.00 C ATOM 728 O LEU A 48 8.911 5.480 -23.681 1.00 0.00 O ATOM 729 CB LEU A 48 8.609 3.298 -21.431 1.00 0.00 C ATOM 730 CG LEU A 48 8.824 1.790 -21.297 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.735 1.213 -20.397 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.776 1.084 -22.647 1.00 0.00 C ATOM 0 H LEU A 48 10.678 3.724 -20.181 1.00 0.00 H new ATOM 0 HA LEU A 48 10.149 3.404 -22.932 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.424 3.729 -20.447 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.721 3.487 -22.034 1.00 0.00 H new ATOM 0 HG LEU A 48 9.813 1.628 -20.869 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.879 0.137 -20.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.789 1.681 -19.414 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.757 1.408 -20.838 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.933 0.015 -22.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.803 1.249 -23.109 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.557 1.483 -23.294 1.00 0.00 H new ATOM 744 N ILE A 49 9.683 6.433 -21.808 1.00 0.00 N ATOM 745 CA ILE A 49 9.461 7.787 -22.299 1.00 0.00 C ATOM 746 C ILE A 49 10.502 8.093 -23.365 1.00 0.00 C ATOM 747 O ILE A 49 10.161 8.576 -24.443 1.00 0.00 O ATOM 748 CB ILE A 49 9.621 8.781 -21.137 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.355 8.900 -20.281 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.982 10.165 -21.671 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.213 7.723 -19.316 1.00 0.00 C ATOM 0 H ILE A 49 10.035 6.378 -20.852 1.00 0.00 H new ATOM 0 HA ILE A 49 8.458 7.874 -22.717 1.00 0.00 H new ATOM 0 HB ILE A 49 10.420 8.392 -20.506 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.383 9.832 -19.717 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.480 8.947 -20.929 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.092 10.859 -20.838 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.920 10.109 -22.223 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.192 10.517 -22.334 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.304 7.843 -18.727 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.158 6.793 -19.882 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.076 7.692 -18.650 1.00 0.00 H new ATOM 763 N LYS A 50 11.769 7.807 -23.061 1.00 0.00 N ATOM 764 CA LYS A 50 12.866 7.950 -23.985 1.00 0.00 C ATOM 765 C LYS A 50 12.753 6.998 -25.180 1.00 0.00 C ATOM 766 O LYS A 50 13.537 7.098 -26.119 1.00 0.00 O ATOM 767 CB LYS A 50 14.141 7.722 -23.189 1.00 0.00 C ATOM 768 CG LYS A 50 14.993 8.983 -23.231 1.00 0.00 C ATOM 769 CD LYS A 50 14.337 10.101 -22.421 1.00 0.00 C ATOM 770 CE LYS A 50 14.483 9.818 -20.931 1.00 0.00 C ATOM 771 NZ LYS A 50 14.389 11.067 -20.153 1.00 0.00 N ATOM 0 H LYS A 50 12.054 7.463 -22.144 1.00 0.00 H new ATOM 0 HA LYS A 50 12.862 8.947 -24.425 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.899 7.467 -22.157 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.696 6.880 -23.603 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.985 8.772 -22.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.126 9.305 -24.264 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.799 11.058 -22.665 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.282 10.180 -22.683 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.706 9.124 -20.610 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.441 9.335 -20.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.320 10.841 -19.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.236 11.646 -20.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.544 11.597 -20.447 1.00 0.00 H new ATOM 785 N LEU A 51 11.783 6.074 -25.147 1.00 0.00 N ATOM 786 CA LEU A 51 11.470 5.173 -26.244 1.00 0.00 C ATOM 787 C LEU A 51 10.156 5.626 -26.885 1.00 0.00 C ATOM 788 O LEU A 51 9.786 5.159 -27.964 1.00 0.00 O ATOM 789 CB LEU A 51 11.333 3.756 -25.686 1.00 0.00 C ATOM 790 CG LEU A 51 12.675 3.148 -25.271 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.423 1.863 -24.484 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.526 2.801 -26.491 1.00 0.00 C ATOM 0 H LEU A 51 11.184 5.936 -24.333 1.00 0.00 H new ATOM 0 HA LEU A 51 12.258 5.185 -26.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.665 3.773 -24.825 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.868 3.118 -26.437 1.00 0.00 H new ATOM 0 HG LEU A 51 13.205 3.882 -24.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.376 1.426 -24.186 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.834 2.090 -23.595 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.879 1.155 -25.108 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.473 2.371 -26.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.995 2.079 -27.112 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.718 3.705 -27.069 1.00 0.00 H new ATOM 804 N GLY A 52 9.456 6.542 -26.207 1.00 0.00 N ATOM 805 CA GLY A 52 8.185 7.106 -26.625 1.00 0.00 C ATOM 806 C GLY A 52 7.063 6.077 -26.531 1.00 0.00 C ATOM 807 O GLY A 52 5.994 6.247 -27.111 1.00 0.00 O ATOM 0 H GLY A 52 9.780 6.921 -25.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.944 7.967 -26.002 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.265 7.467 -27.650 1.00 0.00 H new ATOM 811 N GLU A 53 7.326 5.008 -25.782 1.00 0.00 N ATOM 812 CA GLU A 53 6.386 3.951 -25.445 1.00 0.00 C ATOM 813 C GLU A 53 5.664 4.349 -24.181 1.00 0.00 C ATOM 814 O GLU A 53 5.443 3.557 -23.264 1.00 0.00 O ATOM 815 CB GLU A 53 7.148 2.634 -25.324 1.00 0.00 C ATOM 816 CG GLU A 53 7.792 2.269 -26.663 1.00 0.00 C ATOM 817 CD GLU A 53 6.759 1.704 -27.633 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.462 0.494 -27.518 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.270 2.483 -28.485 1.00 0.00 O ATOM 0 H GLU A 53 8.248 4.852 -25.375 1.00 0.00 H new ATOM 0 HA GLU A 53 5.632 3.807 -26.219 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.915 2.719 -24.555 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.469 1.841 -25.011 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.259 3.152 -27.098 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.583 1.537 -26.502 1.00 0.00 H new ATOM 826 N TYR A 54 5.304 5.627 -24.178 1.00 0.00 N ATOM 827 CA TYR A 54 4.524 6.266 -23.157 1.00 0.00 C ATOM 828 C TYR A 54 3.335 5.405 -22.746 1.00 0.00 C ATOM 829 O TYR A 54 2.990 5.364 -21.570 1.00 0.00 O ATOM 830 CB TYR A 54 3.989 7.540 -23.774 1.00 0.00 C ATOM 831 CG TYR A 54 4.996 8.492 -24.383 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.002 9.058 -23.592 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.922 8.813 -25.747 1.00 0.00 C ATOM 834 CE1 TYR A 54 6.906 9.970 -24.150 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.838 9.709 -26.320 1.00 0.00 C ATOM 836 CZ TYR A 54 6.833 10.298 -25.519 1.00 0.00 C ATOM 837 OH TYR A 54 7.717 11.184 -26.058 1.00 0.00 O ATOM 0 H TYR A 54 5.567 6.265 -24.929 1.00 0.00 H new ATOM 0 HA TYR A 54 5.138 6.441 -22.273 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.273 7.265 -24.549 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.435 8.080 -23.006 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.081 8.791 -22.549 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.154 8.367 -26.361 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.663 10.425 -23.528 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.779 9.945 -27.372 1.00 0.00 H new ATOM 0 HH TYR A 54 7.527 11.296 -27.013 1.00 0.00 H new ATOM 847 N THR A 55 2.700 4.718 -23.700 1.00 0.00 N ATOM 848 CA THR A 55 1.511 3.939 -23.399 1.00 0.00 C ATOM 849 C THR A 55 1.798 2.948 -22.283 1.00 0.00 C ATOM 850 O THR A 55 0.972 2.735 -21.401 1.00 0.00 O ATOM 851 CB THR A 55 1.050 3.157 -24.627 1.00 0.00 C ATOM 852 OG1 THR A 55 1.292 3.867 -25.822 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.440 2.882 -24.479 1.00 0.00 C ATOM 0 H THR A 55 2.992 4.689 -24.677 1.00 0.00 H new ATOM 0 HA THR A 55 0.730 4.635 -23.092 1.00 0.00 H new ATOM 0 HB THR A 55 1.614 2.226 -24.688 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.986 3.335 -26.586 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.795 2.323 -25.345 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.614 2.299 -23.575 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.979 3.827 -24.411 1.00 0.00 H new ATOM 861 N GLN A 56 2.987 2.351 -22.338 1.00 0.00 N ATOM 862 CA GLN A 56 3.432 1.375 -21.365 1.00 0.00 C ATOM 863 C GLN A 56 3.983 2.081 -20.129 1.00 0.00 C ATOM 864 O GLN A 56 3.794 1.622 -19.004 1.00 0.00 O ATOM 865 CB GLN A 56 4.523 0.530 -22.014 1.00 0.00 C ATOM 866 CG GLN A 56 4.045 -0.095 -23.325 1.00 0.00 C ATOM 867 CD GLN A 56 2.763 -0.887 -23.135 1.00 0.00 C ATOM 868 OE1 GLN A 56 1.632 -0.236 -23.389 1.00 0.00 O flip ATOM 869 NE2 GLN A 56 2.780 -2.060 -22.768 1.00 0.00 N flip ATOM 0 H GLN A 56 3.671 2.539 -23.071 1.00 0.00 H new ATOM 0 HA GLN A 56 2.599 0.744 -21.054 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.399 1.150 -22.204 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.832 -0.257 -21.326 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.882 0.689 -24.064 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.822 -0.749 -23.721 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.670 -2.524 -22.583 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.905 -2.570 -22.648 1.00 0.00 H new ATOM 878 N ALA A 57 4.668 3.201 -20.347 1.00 0.00 N ATOM 879 CA ALA A 57 5.224 4.014 -19.287 1.00 0.00 C ATOM 880 C ALA A 57 4.160 4.437 -18.274 1.00 0.00 C ATOM 881 O ALA A 57 4.416 4.438 -17.071 1.00 0.00 O ATOM 882 CB ALA A 57 5.831 5.254 -19.935 1.00 0.00 C ATOM 0 H ALA A 57 4.851 3.568 -21.281 1.00 0.00 H new ATOM 0 HA ALA A 57 5.972 3.435 -18.745 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.262 5.893 -19.164 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.611 4.954 -20.635 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.055 5.802 -20.469 1.00 0.00 H new ATOM 888 N ILE A 58 2.971 4.793 -18.764 1.00 0.00 N ATOM 889 CA ILE A 58 1.857 5.199 -17.922 1.00 0.00 C ATOM 890 C ILE A 58 1.452 4.037 -17.014 1.00 0.00 C ATOM 891 O ILE A 58 1.070 4.261 -15.869 1.00 0.00 O ATOM 892 CB ILE A 58 0.695 5.612 -18.826 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.097 6.789 -19.717 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.552 6.033 -18.048 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.282 6.761 -21.011 1.00 0.00 C ATOM 0 H ILE A 58 2.758 4.806 -19.762 1.00 0.00 H new ATOM 0 HA ILE A 58 2.140 6.041 -17.291 1.00 0.00 H new ATOM 0 HB ILE A 58 0.459 4.727 -19.417 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.929 7.729 -19.191 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.161 6.737 -19.946 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.339 6.314 -18.747 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.894 5.202 -17.431 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.313 6.884 -17.410 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.572 7.601 -21.642 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.472 5.827 -21.540 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.779 6.835 -20.774 1.00 0.00 H new ATOM 907 N GLN A 59 1.534 2.799 -17.518 1.00 0.00 N ATOM 908 CA GLN A 59 1.183 1.622 -16.751 1.00 0.00 C ATOM 909 C GLN A 59 2.235 1.313 -15.693 1.00 0.00 C ATOM 910 O GLN A 59 1.900 0.859 -14.603 1.00 0.00 O ATOM 911 CB GLN A 59 1.076 0.433 -17.697 1.00 0.00 C ATOM 912 CG GLN A 59 0.099 0.662 -18.841 1.00 0.00 C ATOM 913 CD GLN A 59 -1.179 1.324 -18.363 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.896 0.787 -17.523 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.468 2.501 -18.900 1.00 0.00 N ATOM 0 H GLN A 59 1.846 2.597 -18.468 1.00 0.00 H new ATOM 0 HA GLN A 59 0.234 1.810 -16.249 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.062 0.214 -18.108 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.764 -0.445 -17.132 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.569 1.285 -19.602 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.139 -0.291 -19.312 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.844 2.911 -19.595 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.314 2.996 -18.618 1.00 0.00 H new ATOM 924 N MET A 60 3.509 1.555 -16.010 1.00 0.00 N ATOM 925 CA MET A 60 4.599 1.306 -15.074 1.00 0.00 C ATOM 926 C MET A 60 4.485 2.224 -13.868 1.00 0.00 C ATOM 927 O MET A 60 4.651 1.793 -12.730 1.00 0.00 O ATOM 928 CB MET A 60 5.949 1.562 -15.746 1.00 0.00 C ATOM 929 CG MET A 60 6.265 0.680 -16.956 1.00 0.00 C ATOM 930 SD MET A 60 6.152 -1.108 -16.703 1.00 0.00 S ATOM 931 CE MET A 60 4.428 -1.340 -17.192 1.00 0.00 C ATOM 0 H MET A 60 3.808 1.925 -16.912 1.00 0.00 H new ATOM 0 HA MET A 60 4.533 0.265 -14.756 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.986 2.605 -16.060 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.736 1.425 -15.004 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.587 0.954 -17.764 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.275 0.914 -17.294 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.273 -2.375 -17.498 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.777 -1.109 -16.349 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.193 -0.677 -18.024 1.00 0.00 H new ATOM 941 N CYS A 61 4.200 3.505 -14.109 1.00 0.00 N ATOM 942 CA CYS A 61 4.250 4.499 -13.055 1.00 0.00 C ATOM 943 C CYS A 61 3.136 4.291 -12.029 1.00 0.00 C ATOM 944 O CYS A 61 3.393 4.189 -10.834 1.00 0.00 O ATOM 945 CB CYS A 61 4.141 5.872 -13.698 1.00 0.00 C ATOM 946 SG CYS A 61 5.597 6.176 -14.729 1.00 0.00 S ATOM 0 H CYS A 61 3.934 3.870 -15.024 1.00 0.00 H new ATOM 0 HA CYS A 61 5.192 4.407 -12.515 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.236 5.931 -14.303 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.061 6.640 -12.929 1.00 0.00 H new ATOM 0 HG CYS A 61 5.449 5.581 -15.875 1.00 0.00 H new ATOM 952 N GLN A 62 1.886 4.224 -12.486 1.00 0.00 N ATOM 953 CA GLN A 62 0.770 3.946 -11.593 1.00 0.00 C ATOM 954 C GLN A 62 0.913 2.614 -10.845 1.00 0.00 C ATOM 955 O GLN A 62 0.338 2.464 -9.772 1.00 0.00 O ATOM 956 CB GLN A 62 -0.544 4.028 -12.375 1.00 0.00 C ATOM 957 CG GLN A 62 -0.594 3.037 -13.540 1.00 0.00 C ATOM 958 CD GLN A 62 -1.485 1.834 -13.251 1.00 0.00 C ATOM 959 OE1 GLN A 62 -1.499 1.360 -12.008 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.159 1.327 -14.142 1.00 0.00 N flip ATOM 0 H GLN A 62 1.625 4.358 -13.463 1.00 0.00 H new ATOM 0 HA GLN A 62 0.768 4.709 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.378 3.833 -11.700 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.673 5.041 -12.757 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.958 3.548 -14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.416 2.691 -13.761 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.129 1.712 -15.086 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.750 0.521 -13.939 1.00 0.00 H new ATOM 969 N GLN A 63 1.664 1.645 -11.380 1.00 0.00 N ATOM 970 CA GLN A 63 2.026 0.442 -10.643 1.00 0.00 C ATOM 971 C GLN A 63 3.055 0.797 -9.580 1.00 0.00 C ATOM 972 O GLN A 63 2.894 0.390 -8.438 1.00 0.00 O ATOM 973 CB GLN A 63 2.617 -0.585 -11.611 1.00 0.00 C ATOM 974 CG GLN A 63 1.692 -1.786 -11.804 1.00 0.00 C ATOM 975 CD GLN A 63 0.272 -1.389 -12.186 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.647 -1.516 -11.382 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.079 -0.912 -13.409 1.00 0.00 N ATOM 0 H GLN A 63 2.033 1.677 -12.330 1.00 0.00 H new ATOM 0 HA GLN A 63 1.142 0.020 -10.165 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.802 -0.111 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.581 -0.926 -11.234 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.103 -2.433 -12.579 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.665 -2.368 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.866 -0.820 -14.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.857 -0.637 -13.707 1.00 0.00 H new ATOM 986 N GLY A 64 4.104 1.546 -9.923 1.00 0.00 N ATOM 987 CA GLY A 64 5.075 1.974 -8.931 1.00 0.00 C ATOM 988 C GLY A 64 4.403 2.596 -7.703 1.00 0.00 C ATOM 989 O GLY A 64 4.891 2.429 -6.587 1.00 0.00 O ATOM 0 H GLY A 64 4.297 1.863 -10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.678 1.120 -8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.755 2.699 -9.378 1.00 0.00 H new ATOM 993 N LEU A 65 3.283 3.304 -7.897 1.00 0.00 N ATOM 994 CA LEU A 65 2.521 3.946 -6.827 1.00 0.00 C ATOM 995 C LEU A 65 1.903 2.952 -5.837 1.00 0.00 C ATOM 996 O LEU A 65 1.315 3.365 -4.839 1.00 0.00 O ATOM 997 CB LEU A 65 1.412 4.791 -7.453 1.00 0.00 C ATOM 998 CG LEU A 65 1.869 6.222 -7.738 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.795 6.953 -8.541 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.098 6.953 -6.415 1.00 0.00 C ATOM 0 H LEU A 65 2.876 3.447 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 65 3.219 4.560 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.082 4.325 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.552 4.812 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 65 2.796 6.199 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.123 7.973 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.628 6.432 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.133 6.977 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.424 7.974 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.169 6.974 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.865 6.433 -5.840 1.00 0.00 H new ATOM 1012 N ARG A 66 2.024 1.650 -6.099 1.00 0.00 N ATOM 1013 CA ARG A 66 1.482 0.594 -5.265 1.00 0.00 C ATOM 1014 C ARG A 66 2.538 0.158 -4.261 1.00 0.00 C ATOM 1015 O ARG A 66 2.246 -0.502 -3.264 1.00 0.00 O ATOM 1016 CB ARG A 66 1.176 -0.552 -6.222 1.00 0.00 C ATOM 1017 CG ARG A 66 0.109 -0.116 -7.215 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.182 -1.257 -8.179 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.846 -2.378 -7.506 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.525 -3.339 -8.137 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.657 -3.329 -9.462 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -2.081 -4.326 -7.441 1.00 0.00 N ATOM 0 H ARG A 66 2.516 1.299 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 66 0.598 0.911 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.081 -0.848 -6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.834 -1.424 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.801 0.169 -6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.446 0.762 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.812 -0.895 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.750 -1.602 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.785 -2.427 -6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.236 -2.579 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.179 -4.071 -9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.989 -4.349 -6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.600 -5.060 -7.923 1.00 0.00 H new ATOM 1036 N TYR A 67 3.772 0.549 -4.562 1.00 0.00 N ATOM 1037 CA TYR A 67 4.982 0.185 -3.852 1.00 0.00 C ATOM 1038 C TYR A 67 5.708 1.390 -3.244 1.00 0.00 C ATOM 1039 O TYR A 67 6.935 1.393 -3.195 1.00 0.00 O ATOM 1040 CB TYR A 67 5.849 -0.530 -4.874 1.00 0.00 C ATOM 1041 CG TYR A 67 5.093 -1.641 -5.561 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.930 -2.893 -4.957 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.528 -1.387 -6.814 1.00 0.00 C ATOM 1044 CE1 TYR A 67 4.212 -3.899 -5.623 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.799 -2.373 -7.481 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.643 -3.644 -6.889 1.00 0.00 C ATOM 1047 OH TYR A 67 2.936 -4.620 -7.529 1.00 0.00 O ATOM 0 H TYR A 67 3.959 1.163 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 67 4.748 -0.448 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.202 0.185 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.731 -0.939 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.355 -3.084 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.657 -0.417 -7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.095 -4.870 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.357 -2.164 -8.444 1.00 0.00 H new ATOM 0 HH TYR A 67 2.612 -4.279 -8.389 1.00 0.00 H new ATOM 1057 N THR A 68 4.971 2.405 -2.781 1.00 0.00 N ATOM 1058 CA THR A 68 5.563 3.621 -2.225 1.00 0.00 C ATOM 1059 C THR A 68 4.931 3.992 -0.883 1.00 0.00 C ATOM 1060 O THR A 68 4.914 5.162 -0.502 1.00 0.00 O ATOM 1061 CB THR A 68 5.448 4.779 -3.214 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.110 4.937 -3.642 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.332 4.534 -4.433 1.00 0.00 C ATOM 0 H THR A 68 3.951 2.405 -2.782 1.00 0.00 H new ATOM 0 HA THR A 68 6.620 3.421 -2.047 1.00 0.00 H new ATOM 0 HB THR A 68 5.776 5.685 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.024 5.774 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.236 5.370 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.371 4.442 -4.116 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.021 3.614 -4.929 1.00 0.00 H new ATOM 1071 N SER A 69 4.412 2.993 -0.165 1.00 0.00 N ATOM 1072 CA SER A 69 3.783 3.166 1.146 1.00 0.00 C ATOM 1073 C SER A 69 4.760 3.585 2.246 1.00 0.00 C ATOM 1074 O SER A 69 4.382 3.628 3.416 1.00 0.00 O ATOM 1075 CB SER A 69 3.140 1.846 1.548 1.00 0.00 C ATOM 1076 OG SER A 69 2.091 1.523 0.658 1.00 0.00 O ATOM 0 H SER A 69 4.417 2.024 -0.484 1.00 0.00 H new ATOM 0 HA SER A 69 3.053 3.970 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.888 1.053 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.755 1.916 2.565 1.00 0.00 H new ATOM 0 HG SER A 69 1.686 0.672 0.925 1.00 0.00 H new ATOM 1082 N THR A 70 6.008 3.893 1.887 1.00 0.00 N ATOM 1083 CA THR A 70 7.056 4.223 2.848 1.00 0.00 C ATOM 1084 C THR A 70 7.937 5.369 2.348 1.00 0.00 C ATOM 1085 O THR A 70 8.022 5.623 1.147 1.00 0.00 O ATOM 1086 CB THR A 70 7.888 2.967 3.126 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.983 3.291 3.953 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.401 2.339 1.832 1.00 0.00 C ATOM 0 H THR A 70 6.319 3.920 0.916 1.00 0.00 H new ATOM 0 HA THR A 70 6.594 4.565 3.774 1.00 0.00 H new ATOM 0 HB THR A 70 7.243 2.244 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.510 2.484 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.987 1.450 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.556 2.061 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.027 3.057 1.302 1.00 0.00 H new ATOM 1096 N ALA A 71 8.598 6.068 3.278 1.00 0.00 N ATOM 1097 CA ALA A 71 9.396 7.254 2.997 1.00 0.00 C ATOM 1098 C ALA A 71 10.758 6.940 2.372 1.00 0.00 C ATOM 1099 O ALA A 71 11.474 7.863 1.992 1.00 0.00 O ATOM 1100 CB ALA A 71 9.576 8.052 4.288 1.00 0.00 C ATOM 0 H ALA A 71 8.589 5.815 4.266 1.00 0.00 H new ATOM 0 HA ALA A 71 8.854 7.840 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.173 8.942 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.600 8.349 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.084 7.435 5.029 1.00 0.00 H new ATOM 1106 N GLU A 72 11.144 5.667 2.251 1.00 0.00 N ATOM 1107 CA GLU A 72 12.324 5.321 1.469 1.00 0.00 C ATOM 1108 C GLU A 72 11.994 5.381 -0.019 1.00 0.00 C ATOM 1109 O GLU A 72 12.897 5.409 -0.856 1.00 0.00 O ATOM 1110 CB GLU A 72 12.815 3.923 1.835 1.00 0.00 C ATOM 1111 CG GLU A 72 11.735 2.864 1.637 1.00 0.00 C ATOM 1112 CD GLU A 72 12.207 1.501 2.146 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.997 0.850 1.424 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.774 1.118 3.257 1.00 0.00 O ATOM 0 H GLU A 72 10.664 4.875 2.678 1.00 0.00 H new ATOM 0 HA GLU A 72 13.114 6.038 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.683 3.673 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.143 3.915 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.829 3.160 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.479 2.793 0.580 1.00 0.00 H new ATOM 1121 N HIS A 73 10.696 5.405 -0.342 1.00 0.00 N ATOM 1122 CA HIS A 73 10.201 5.347 -1.707 1.00 0.00 C ATOM 1123 C HIS A 73 9.419 6.615 -2.059 1.00 0.00 C ATOM 1124 O HIS A 73 8.669 6.638 -3.033 1.00 0.00 O ATOM 1125 CB HIS A 73 9.351 4.085 -1.889 1.00 0.00 C ATOM 1126 CG HIS A 73 10.128 2.794 -1.899 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.564 1.518 -1.968 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.487 2.674 -1.866 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.600 0.666 -1.987 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.766 1.331 -1.919 1.00 0.00 N ATOM 0 H HIS A 73 9.954 5.466 0.355 1.00 0.00 H new ATOM 0 HA HIS A 73 11.045 5.295 -2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.614 4.042 -1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.799 4.168 -2.826 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.572 1.283 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.204 3.480 -1.809 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.509 -0.408 -2.049 1.00 0.00 H new ATOM 1138 N VAL A 74 9.580 7.684 -1.273 1.00 0.00 N ATOM 1139 CA VAL A 74 8.974 8.972 -1.598 1.00 0.00 C ATOM 1140 C VAL A 74 9.644 9.594 -2.816 1.00 0.00 C ATOM 1141 O VAL A 74 9.010 10.314 -3.587 1.00 0.00 O ATOM 1142 CB VAL A 74 9.090 9.903 -0.393 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.541 10.155 0.008 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.441 11.240 -0.715 1.00 0.00 C ATOM 0 H VAL A 74 10.124 7.680 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 74 7.922 8.818 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 74 8.585 9.413 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.570 10.823 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.017 9.209 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.074 10.614 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.525 11.902 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.943 11.692 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.388 11.086 -0.952 1.00 0.00 H new ATOM 1154 N ALA A 75 10.936 9.307 -2.983 1.00 0.00 N ATOM 1155 CA ALA A 75 11.726 9.751 -4.121 1.00 0.00 C ATOM 1156 C ALA A 75 11.063 9.332 -5.418 1.00 0.00 C ATOM 1157 O ALA A 75 10.939 10.089 -6.377 1.00 0.00 O ATOM 1158 CB ALA A 75 13.066 9.027 -4.038 1.00 0.00 C ATOM 0 H ALA A 75 11.468 8.749 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 75 11.831 10.836 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.695 9.329 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.560 9.283 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.901 7.950 -4.079 1.00 0.00 H new ATOM 1164 N ILE A 76 10.635 8.078 -5.396 1.00 0.00 N ATOM 1165 CA ILE A 76 9.979 7.362 -6.456 1.00 0.00 C ATOM 1166 C ILE A 76 8.544 7.827 -6.604 1.00 0.00 C ATOM 1167 O ILE A 76 8.026 7.933 -7.714 1.00 0.00 O ATOM 1168 CB ILE A 76 10.012 5.935 -5.944 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.408 5.361 -6.137 1.00 0.00 C ATOM 1170 CG2 ILE A 76 8.912 5.083 -6.539 1.00 0.00 C ATOM 1171 CD1 ILE A 76 11.501 4.568 -7.424 1.00 0.00 C ATOM 0 H ILE A 76 10.752 7.498 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 76 10.447 7.498 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 76 9.802 5.934 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.138 6.170 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.660 4.720 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.980 4.071 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.942 5.510 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.021 5.054 -7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.510 4.170 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.787 3.744 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.273 5.218 -8.269 1.00 0.00 H new ATOM 1183 N ARG A 77 7.909 8.110 -5.468 1.00 0.00 N ATOM 1184 CA ARG A 77 6.546 8.626 -5.421 1.00 0.00 C ATOM 1185 C ARG A 77 6.505 10.068 -5.929 1.00 0.00 C ATOM 1186 O ARG A 77 5.490 10.754 -5.838 1.00 0.00 O ATOM 1187 CB ARG A 77 5.990 8.510 -4.006 1.00 0.00 C ATOM 1188 CG ARG A 77 4.485 8.778 -3.993 1.00 0.00 C ATOM 1189 CD ARG A 77 4.221 10.064 -3.213 1.00 0.00 C ATOM 1190 NE ARG A 77 2.793 10.405 -3.218 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.208 11.204 -4.115 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.910 11.736 -5.112 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.911 11.477 -4.015 1.00 0.00 N ATOM 0 H ARG A 77 8.331 7.986 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 77 5.913 8.029 -6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.190 7.514 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.496 9.220 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.109 8.871 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.957 7.943 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.566 9.946 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.794 10.882 -3.650 1.00 0.00 H new ATOM 0 HE ARG A 77 2.207 10.004 -2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.906 11.535 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.452 12.344 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.363 11.077 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.464 12.087 -4.700 1.00 0.00 H new ATOM 1207 N SER A 78 7.633 10.520 -6.467 1.00 0.00 N ATOM 1208 CA SER A 78 7.746 11.772 -7.183 1.00 0.00 C ATOM 1209 C SER A 78 8.077 11.522 -8.654 1.00 0.00 C ATOM 1210 O SER A 78 7.931 12.427 -9.474 1.00 0.00 O ATOM 1211 CB SER A 78 8.861 12.568 -6.507 1.00 0.00 C ATOM 1212 OG SER A 78 8.847 13.909 -6.949 1.00 0.00 O ATOM 0 H SER A 78 8.513 10.007 -6.412 1.00 0.00 H new ATOM 0 HA SER A 78 6.805 12.322 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.736 12.534 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.827 12.115 -6.731 1.00 0.00 H new ATOM 0 HG SER A 78 8.531 13.945 -7.876 1.00 0.00 H new ATOM 1218 N LYS A 79 8.517 10.306 -9.003 1.00 0.00 N ATOM 1219 CA LYS A 79 8.862 9.970 -10.384 1.00 0.00 C ATOM 1220 C LYS A 79 7.658 9.400 -11.112 1.00 0.00 C ATOM 1221 O LYS A 79 7.374 9.794 -12.241 1.00 0.00 O ATOM 1222 CB LYS A 79 9.973 8.925 -10.372 1.00 0.00 C ATOM 1223 CG LYS A 79 11.237 9.523 -9.768 1.00 0.00 C ATOM 1224 CD LYS A 79 12.369 8.500 -9.798 1.00 0.00 C ATOM 1225 CE LYS A 79 13.580 9.174 -9.173 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.773 8.319 -9.275 1.00 0.00 N ATOM 0 H LYS A 79 8.642 9.538 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 79 9.189 10.874 -10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.660 8.055 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.172 8.580 -11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.528 10.415 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.046 9.835 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.095 7.603 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.583 8.189 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.767 10.126 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.376 9.396 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.624 8.915 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.827 7.697 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.712 7.740 -10.137 1.00 0.00 H new ATOM 1240 N LEU A 80 6.955 8.477 -10.460 1.00 0.00 N ATOM 1241 CA LEU A 80 5.778 7.787 -10.981 1.00 0.00 C ATOM 1242 C LEU A 80 4.613 8.747 -11.187 1.00 0.00 C ATOM 1243 O LEU A 80 3.511 8.330 -11.516 1.00 0.00 O ATOM 1244 CB LEU A 80 5.356 6.756 -9.944 1.00 0.00 C ATOM 1245 CG LEU A 80 6.160 5.455 -9.945 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.499 5.478 -10.670 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.368 5.053 -8.495 1.00 0.00 C ATOM 0 H LEU A 80 7.200 8.177 -9.516 1.00 0.00 H new ATOM 0 HA LEU A 80 6.029 7.335 -11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.431 7.209 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.305 6.514 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 80 5.574 4.736 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.969 4.497 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.341 5.728 -11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.147 6.225 -10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.940 4.126 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.914 5.840 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.400 4.904 -8.016 1.00 0.00 H new ATOM 1259 N GLN A 81 4.869 10.033 -10.988 1.00 0.00 N ATOM 1260 CA GLN A 81 3.924 11.106 -11.139 1.00 0.00 C ATOM 1261 C GLN A 81 4.342 12.100 -12.220 1.00 0.00 C ATOM 1262 O GLN A 81 3.504 12.842 -12.725 1.00 0.00 O ATOM 1263 CB GLN A 81 3.941 11.830 -9.795 1.00 0.00 C ATOM 1264 CG GLN A 81 3.470 10.985 -8.618 1.00 0.00 C ATOM 1265 CD GLN A 81 4.416 9.833 -8.327 1.00 0.00 C ATOM 1266 OE1 GLN A 81 5.625 9.948 -8.492 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.880 8.705 -7.894 1.00 0.00 N ATOM 0 H GLN A 81 5.792 10.362 -10.703 1.00 0.00 H new ATOM 0 HA GLN A 81 2.948 10.714 -11.426 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.955 12.176 -9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.310 12.716 -9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.383 11.614 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.475 10.592 -8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.870 8.636 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.476 7.903 -7.688 1.00 0.00 H new ATOM 1276 N TYR A 82 5.628 12.111 -12.575 1.00 0.00 N ATOM 1277 CA TYR A 82 6.175 12.998 -13.591 1.00 0.00 C ATOM 1278 C TYR A 82 6.253 12.316 -14.948 1.00 0.00 C ATOM 1279 O TYR A 82 5.785 12.861 -15.946 1.00 0.00 O ATOM 1280 CB TYR A 82 7.599 13.366 -13.190 1.00 0.00 C ATOM 1281 CG TYR A 82 8.451 13.867 -14.336 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.293 15.168 -14.825 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.407 13.012 -14.898 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.114 15.629 -15.865 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.252 13.470 -15.918 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.103 14.787 -16.407 1.00 0.00 C ATOM 1287 OH TYR A 82 10.917 15.241 -17.402 1.00 0.00 O ATOM 0 H TYR A 82 6.324 11.494 -12.157 1.00 0.00 H new ATOM 0 HA TYR A 82 5.524 13.869 -13.664 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.561 14.133 -12.417 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.079 12.492 -12.749 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.540 15.817 -14.402 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.494 11.995 -14.544 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.987 16.630 -16.250 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.012 12.821 -16.327 1.00 0.00 H new ATOM 0 HH TYR A 82 11.544 14.533 -17.660 1.00 0.00 H new ATOM 1297 N ARG A 83 6.842 11.120 -14.999 1.00 0.00 N ATOM 1298 CA ARG A 83 6.971 10.429 -16.272 1.00 0.00 C ATOM 1299 C ARG A 83 5.714 9.603 -16.504 1.00 0.00 C ATOM 1300 O ARG A 83 5.547 8.970 -17.541 1.00 0.00 O ATOM 1301 CB ARG A 83 8.317 9.707 -16.423 1.00 0.00 C ATOM 1302 CG ARG A 83 8.473 8.330 -15.777 1.00 0.00 C ATOM 1303 CD ARG A 83 8.727 8.409 -14.271 1.00 0.00 C ATOM 1304 NE ARG A 83 9.859 7.561 -13.874 1.00 0.00 N ATOM 1305 CZ ARG A 83 11.095 8.014 -13.639 1.00 0.00 C ATOM 1306 NH1 ARG A 83 11.384 9.306 -13.754 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.058 7.173 -13.281 1.00 0.00 N ATOM 0 H ARG A 83 7.226 10.625 -14.194 1.00 0.00 H new ATOM 0 HA ARG A 83 7.021 11.140 -17.097 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.520 9.600 -17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.091 10.356 -16.014 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.572 7.744 -15.959 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.299 7.801 -16.253 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.927 9.442 -13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.831 8.099 -13.733 1.00 0.00 H new ATOM 0 HE ARG A 83 9.691 6.560 -13.771 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.658 9.969 -14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.332 9.635 -13.571 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.856 6.178 -13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.000 7.522 -13.103 1.00 0.00 H new ATOM 1321 N LEU A 84 4.828 9.635 -15.505 1.00 0.00 N ATOM 1322 CA LEU A 84 3.468 9.140 -15.629 1.00 0.00 C ATOM 1323 C LEU A 84 2.653 10.161 -16.396 1.00 0.00 C ATOM 1324 O LEU A 84 1.815 9.787 -17.203 1.00 0.00 O ATOM 1325 CB LEU A 84 2.858 9.004 -14.231 1.00 0.00 C ATOM 1326 CG LEU A 84 1.329 8.975 -14.174 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.737 7.845 -15.018 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.922 8.815 -12.709 1.00 0.00 C ATOM 0 H LEU A 84 5.044 10.010 -14.581 1.00 0.00 H new ATOM 0 HA LEU A 84 3.468 8.177 -16.140 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.238 8.089 -13.777 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.210 9.834 -13.619 1.00 0.00 H new ATOM 0 HG LEU A 84 0.939 9.904 -14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.350 7.867 -14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.033 7.975 -16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.106 6.887 -14.653 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.165 8.791 -12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.334 7.885 -12.316 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.307 9.655 -12.131 1.00 0.00 H new ATOM 1340 N GLU A 85 2.895 11.450 -16.145 1.00 0.00 N ATOM 1341 CA GLU A 85 2.014 12.494 -16.631 1.00 0.00 C ATOM 1342 C GLU A 85 2.439 13.040 -17.986 1.00 0.00 C ATOM 1343 O GLU A 85 1.605 13.560 -18.728 1.00 0.00 O ATOM 1344 CB GLU A 85 1.924 13.595 -15.572 1.00 0.00 C ATOM 1345 CG GLU A 85 2.980 14.685 -15.745 1.00 0.00 C ATOM 1346 CD GLU A 85 2.780 15.824 -14.750 1.00 0.00 C ATOM 1347 OE1 GLU A 85 1.689 16.440 -14.782 1.00 0.00 O ATOM 1348 OE2 GLU A 85 3.717 16.075 -13.961 1.00 0.00 O ATOM 0 H GLU A 85 3.694 11.787 -15.608 1.00 0.00 H new ATOM 0 HA GLU A 85 1.025 12.066 -16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.934 14.048 -15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.031 13.149 -14.583 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.973 14.255 -15.612 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.936 15.077 -16.761 1.00 0.00 H new ATOM 1355 N LEU A 86 3.725 12.927 -18.323 1.00 0.00 N ATOM 1356 CA LEU A 86 4.215 13.438 -19.592 1.00 0.00 C ATOM 1357 C LEU A 86 3.959 12.427 -20.704 1.00 0.00 C ATOM 1358 O LEU A 86 3.690 12.808 -21.838 1.00 0.00 O ATOM 1359 CB LEU A 86 5.697 13.788 -19.430 1.00 0.00 C ATOM 1360 CG LEU A 86 6.672 12.614 -19.505 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.066 12.328 -20.954 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.942 12.982 -18.736 1.00 0.00 C ATOM 0 H LEU A 86 4.436 12.489 -17.737 1.00 0.00 H new ATOM 0 HA LEU A 86 3.682 14.344 -19.880 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.967 14.509 -20.202 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.830 14.285 -18.469 1.00 0.00 H new ATOM 0 HG LEU A 86 6.190 11.733 -19.081 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.761 11.488 -20.983 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.175 12.082 -21.532 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.544 13.209 -21.382 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.648 12.153 -18.781 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.394 13.868 -19.183 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.690 13.188 -17.696 1.00 0.00 H new ATOM 1374 N ALA A 87 4.049 11.138 -20.363 1.00 0.00 N ATOM 1375 CA ALA A 87 3.808 10.034 -21.254 1.00 0.00 C ATOM 1376 C ALA A 87 2.391 10.105 -21.811 1.00 0.00 C ATOM 1377 O ALA A 87 2.221 10.222 -23.016 1.00 0.00 O ATOM 1378 CB ALA A 87 4.024 8.753 -20.446 1.00 0.00 C ATOM 0 H ALA A 87 4.302 10.840 -19.421 1.00 0.00 H new ATOM 0 HA ALA A 87 4.486 10.060 -22.107 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.851 7.887 -21.084 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.047 8.728 -20.070 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.328 8.730 -19.607 1.00 0.00 H new ATOM 1384 N GLN A 88 1.369 10.040 -20.946 1.00 0.00 N ATOM 1385 CA GLN A 88 -0.034 10.120 -21.349 1.00 0.00 C ATOM 1386 C GLN A 88 -0.369 11.429 -22.047 1.00 0.00 C ATOM 1387 O GLN A 88 -1.390 11.525 -22.725 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.940 9.929 -20.152 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.531 10.847 -19.017 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.475 10.721 -17.830 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.610 11.194 -17.864 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.002 10.076 -16.768 1.00 0.00 N ATOM 0 H GLN A 88 1.498 9.930 -19.940 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.200 9.317 -22.067 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.973 10.132 -20.436 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.898 8.892 -19.820 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.485 10.608 -18.702 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.521 11.879 -19.368 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.054 9.699 -16.781 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.587 9.958 -15.941 1.00 0.00 H new ATOM 1401 N GLY A 89 0.485 12.435 -21.878 1.00 0.00 N ATOM 1402 CA GLY A 89 0.329 13.728 -22.517 1.00 0.00 C ATOM 1403 C GLY A 89 1.161 13.792 -23.798 1.00 0.00 C ATOM 1404 O GLY A 89 1.340 14.865 -24.369 1.00 0.00 O ATOM 0 H GLY A 89 1.313 12.369 -21.286 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.722 13.902 -22.749 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.640 14.518 -21.834 1.00 0.00 H new ATOM 1408 N ALA A 90 1.663 12.632 -24.239 1.00 0.00 N ATOM 1409 CA ALA A 90 2.517 12.522 -25.409 1.00 0.00 C ATOM 1410 C ALA A 90 2.261 11.255 -26.211 1.00 0.00 C ATOM 1411 O ALA A 90 2.622 11.204 -27.384 1.00 0.00 O ATOM 1412 CB ALA A 90 3.950 12.414 -24.920 1.00 0.00 C ATOM 0 H ALA A 90 1.481 11.738 -23.782 1.00 0.00 H new ATOM 0 HA ALA A 90 2.320 13.390 -26.038 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.621 12.330 -25.775 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.206 13.303 -24.344 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.054 11.531 -24.289 1.00 0.00 H new ATOM 1418 N VAL A 91 1.649 10.237 -25.592 1.00 0.00 N ATOM 1419 CA VAL A 91 1.552 8.916 -26.203 1.00 0.00 C ATOM 1420 C VAL A 91 1.176 8.959 -27.672 1.00 0.00 C ATOM 1421 O VAL A 91 1.817 8.353 -28.528 1.00 0.00 O ATOM 1422 CB VAL A 91 0.506 8.096 -25.504 1.00 0.00 C ATOM 1423 CG1 VAL A 91 0.596 6.637 -25.900 1.00 0.00 C ATOM 1424 CG2 VAL A 91 0.446 8.231 -24.011 1.00 0.00 C ATOM 0 H VAL A 91 1.216 10.308 -24.671 1.00 0.00 H new ATOM 0 HA VAL A 91 2.545 8.477 -26.108 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.432 8.525 -25.855 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.174 6.070 -25.377 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.449 6.542 -26.976 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.578 6.247 -25.632 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.346 7.593 -23.620 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.401 7.930 -23.580 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.240 9.268 -23.747 1.00 0.00 H new ATOM 1434 N GLY A 92 0.103 9.696 -27.930 1.00 0.00 N ATOM 1435 CA GLY A 92 -0.517 9.803 -29.235 1.00 0.00 C ATOM 1436 C GLY A 92 -1.125 11.178 -29.467 1.00 0.00 C ATOM 1437 O GLY A 92 -2.027 11.323 -30.291 1.00 0.00 O ATOM 0 H GLY A 92 -0.369 10.249 -27.215 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.226 9.600 -30.007 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.292 9.043 -29.331 1.00 0.00 H new ATOM 1441 N SER A 93 -0.637 12.191 -28.740 1.00 0.00 N ATOM 1442 CA SER A 93 -1.114 13.566 -28.835 1.00 0.00 C ATOM 1443 C SER A 93 -0.909 14.153 -30.232 1.00 0.00 C ATOM 1444 O SER A 93 -0.219 13.564 -31.063 1.00 0.00 O ATOM 1445 CB SER A 93 -0.387 14.420 -27.796 1.00 0.00 C ATOM 1446 OG SER A 93 -0.582 13.876 -26.508 1.00 0.00 O ATOM 0 H SER A 93 0.113 12.070 -28.059 1.00 0.00 H new ATOM 0 HA SER A 93 -2.187 13.566 -28.642 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.678 14.461 -28.026 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.760 15.444 -27.828 1.00 0.00 H new ATOM 0 HG SER A 93 -0.418 14.567 -25.833 1.00 0.00 H new ATOM 1452 N VAL A 94 -1.520 15.324 -30.462 1.00 0.00 N ATOM 1453 CA VAL A 94 -1.529 16.048 -31.730 1.00 0.00 C ATOM 1454 C VAL A 94 -1.923 15.170 -32.908 1.00 0.00 C ATOM 1455 O VAL A 94 -1.120 14.410 -33.448 1.00 0.00 O ATOM 1456 CB VAL A 94 -0.199 16.759 -31.975 1.00 0.00 C ATOM 1457 CG1 VAL A 94 -0.307 17.559 -33.271 1.00 0.00 C ATOM 1458 CG2 VAL A 94 0.123 17.711 -30.823 1.00 0.00 C ATOM 0 H VAL A 94 -2.043 15.809 -29.733 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.304 16.810 -31.647 1.00 0.00 H new ATOM 0 HB VAL A 94 0.596 16.017 -32.046 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.635 18.073 -33.461 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.525 16.884 -34.098 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.109 18.292 -33.180 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.074 18.208 -31.016 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.666 18.458 -30.737 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.191 17.147 -29.893 1.00 0.00 H new ATOM 1468 N GLN A 95 -3.187 15.288 -33.305 1.00 0.00 N ATOM 1469 CA GLN A 95 -3.731 14.576 -34.437 1.00 0.00 C ATOM 1470 C GLN A 95 -3.344 15.264 -35.745 1.00 0.00 C ATOM 1471 O GLN A 95 -3.083 16.467 -35.769 1.00 0.00 O ATOM 1472 CB GLN A 95 -5.248 14.551 -34.298 1.00 0.00 C ATOM 1473 CG GLN A 95 -5.694 13.994 -32.942 1.00 0.00 C ATOM 1474 CD GLN A 95 -4.975 12.699 -32.590 1.00 0.00 C ATOM 1475 OE1 GLN A 95 -5.019 11.727 -33.342 1.00 0.00 O ATOM 1476 NE2 GLN A 95 -4.304 12.680 -31.442 1.00 0.00 N ATOM 0 H GLN A 95 -3.864 15.891 -32.837 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.331 13.562 -34.458 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.639 15.561 -34.421 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.675 13.944 -35.097 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.505 14.736 -32.166 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.770 13.818 -32.959 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.291 13.507 -30.845 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.802 11.839 -31.159 1.00 0.00 H new ATOM 1485 N ILE A 96 -3.317 14.486 -36.831 1.00 0.00 N ATOM 1486 CA ILE A 96 -3.005 14.929 -38.192 1.00 0.00 C ATOM 1487 C ILE A 96 -1.944 16.039 -38.289 1.00 0.00 C ATOM 1488 O ILE A 96 -2.150 17.013 -39.014 1.00 0.00 O ATOM 1489 CB ILE A 96 -4.298 15.291 -38.941 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -5.078 16.410 -38.238 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -5.170 14.038 -39.071 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -6.277 16.870 -39.066 1.00 0.00 C ATOM 0 H ILE A 96 -3.521 13.488 -36.783 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.532 14.079 -38.684 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.026 15.663 -39.929 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.421 16.058 -37.265 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.416 17.256 -38.056 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.089 14.288 -39.601 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.627 13.273 -39.626 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.415 13.661 -38.078 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.803 17.663 -38.535 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.931 17.246 -40.029 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.953 16.030 -39.226 1.00 0.00 H new ATOM 1504 N PRO A 97 -0.804 15.927 -37.583 1.00 0.00 N ATOM 1505 CA PRO A 97 0.278 16.896 -37.689 1.00 0.00 C ATOM 1506 C PRO A 97 0.861 16.917 -39.098 1.00 0.00 C ATOM 1507 O PRO A 97 0.640 15.998 -39.887 1.00 0.00 O ATOM 1508 CB PRO A 97 1.325 16.450 -36.668 1.00 0.00 C ATOM 1509 CG PRO A 97 1.062 14.953 -36.518 1.00 0.00 C ATOM 1510 CD PRO A 97 -0.455 14.877 -36.648 1.00 0.00 C ATOM 0 HA PRO A 97 -0.070 17.910 -37.492 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.338 16.646 -37.020 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.210 16.975 -35.720 1.00 0.00 H new ATOM 0 HG2 PRO A 97 1.566 14.372 -37.290 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.408 14.573 -35.556 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.771 13.901 -37.015 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.942 15.028 -35.685 1.00 0.00 H new ATOM 1518 N VAL A 98 1.614 17.970 -39.416 1.00 0.00 N ATOM 1519 CA VAL A 98 2.248 18.142 -40.721 1.00 0.00 C ATOM 1520 C VAL A 98 3.543 17.338 -40.771 1.00 0.00 C ATOM 1521 O VAL A 98 4.619 17.866 -41.055 1.00 0.00 O ATOM 1522 CB VAL A 98 2.453 19.625 -41.036 1.00 0.00 C ATOM 1523 CG1 VAL A 98 2.823 19.818 -42.510 1.00 0.00 C ATOM 1524 CG2 VAL A 98 1.176 20.424 -40.771 1.00 0.00 C ATOM 0 H VAL A 98 1.802 18.735 -38.768 1.00 0.00 H new ATOM 0 HA VAL A 98 1.593 17.755 -41.502 1.00 0.00 H new ATOM 0 HB VAL A 98 3.257 19.980 -40.391 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.964 20.879 -42.714 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.746 19.281 -42.727 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.022 19.431 -43.140 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.350 21.475 -41.003 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.371 20.042 -41.399 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.896 20.325 -39.722 1.00 0.00 H new ATOM 1534 N VAL A 99 3.424 16.042 -40.485 1.00 0.00 N ATOM 1535 CA VAL A 99 4.507 15.082 -40.422 1.00 0.00 C ATOM 1536 C VAL A 99 5.049 14.709 -41.804 1.00 0.00 C ATOM 1537 O VAL A 99 5.609 13.637 -42.019 1.00 0.00 O ATOM 1538 CB VAL A 99 3.968 13.888 -39.630 1.00 0.00 C ATOM 1539 CG1 VAL A 99 3.003 13.039 -40.466 1.00 0.00 C ATOM 1540 CG2 VAL A 99 5.096 13.041 -39.075 1.00 0.00 C ATOM 0 H VAL A 99 2.518 15.619 -40.281 1.00 0.00 H new ATOM 0 HA VAL A 99 5.378 15.504 -39.921 1.00 0.00 H new ATOM 0 HB VAL A 99 3.404 14.290 -38.788 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.643 12.202 -39.868 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.157 13.651 -40.779 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.522 12.659 -41.346 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.680 12.201 -38.518 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.707 12.665 -39.896 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.713 13.647 -38.412 1.00 0.00 H new ATOM 1550 N GLU A 100 4.867 15.624 -42.749 1.00 0.00 N ATOM 1551 CA GLU A 100 5.249 15.494 -44.137 1.00 0.00 C ATOM 1552 C GLU A 100 6.747 15.249 -44.293 1.00 0.00 C ATOM 1553 O GLU A 100 7.561 15.755 -43.522 1.00 0.00 O ATOM 1554 CB GLU A 100 4.833 16.783 -44.848 1.00 0.00 C ATOM 1555 CG GLU A 100 5.146 16.711 -46.324 1.00 0.00 C ATOM 1556 CD GLU A 100 4.522 17.882 -47.087 1.00 0.00 C ATOM 1557 OE1 GLU A 100 5.189 18.938 -47.164 1.00 0.00 O ATOM 1558 OE2 GLU A 100 3.388 17.710 -47.586 1.00 0.00 O ATOM 0 H GLU A 100 4.425 16.521 -42.550 1.00 0.00 H new ATOM 0 HA GLU A 100 4.751 14.630 -44.577 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.766 16.953 -44.707 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.352 17.632 -44.403 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.226 16.715 -46.469 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.774 15.771 -46.731 1.00 0.00 H new ATOM 1565 N VAL A 101 7.095 14.461 -45.315 1.00 0.00 N ATOM 1566 CA VAL A 101 8.472 14.201 -45.715 1.00 0.00 C ATOM 1567 C VAL A 101 8.536 14.182 -47.236 1.00 0.00 C ATOM 1568 O VAL A 101 7.754 13.491 -47.888 1.00 0.00 O ATOM 1569 CB VAL A 101 8.956 12.862 -45.158 1.00 0.00 C ATOM 1570 CG1 VAL A 101 10.440 12.671 -45.471 1.00 0.00 C ATOM 1571 CG2 VAL A 101 8.756 12.787 -43.646 1.00 0.00 C ATOM 0 H VAL A 101 6.410 13.978 -45.896 1.00 0.00 H new ATOM 0 HA VAL A 101 9.118 14.984 -45.318 1.00 0.00 H new ATOM 0 HB VAL A 101 8.369 12.075 -45.631 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.776 11.715 -45.070 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.589 12.685 -46.551 1.00 0.00 H new ATOM 0 HG13 VAL A 101 11.015 13.477 -45.015 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.110 11.823 -43.280 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.318 13.587 -43.164 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.697 12.897 -43.413 1.00 0.00 H new ATOM 1581 N ASP A 102 9.471 14.949 -47.801 1.00 0.00 N ATOM 1582 CA ASP A 102 9.625 15.061 -49.244 1.00 0.00 C ATOM 1583 C ASP A 102 11.055 15.470 -49.599 1.00 0.00 C ATOM 1584 O ASP A 102 11.311 16.052 -50.649 1.00 0.00 O ATOM 1585 CB ASP A 102 8.588 16.062 -49.760 1.00 0.00 C ATOM 1586 CG ASP A 102 8.579 16.169 -51.283 1.00 0.00 C ATOM 1587 OD1 ASP A 102 8.485 15.106 -51.938 1.00 0.00 O ATOM 1588 OD2 ASP A 102 8.663 17.317 -51.782 1.00 0.00 O ATOM 0 H ASP A 102 10.139 15.507 -47.268 1.00 0.00 H new ATOM 0 HA ASP A 102 9.452 14.098 -49.725 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.598 15.764 -49.415 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.792 17.043 -49.332 1.00 0.00 H new ATOM 1593 N GLU A 103 11.995 15.155 -48.703 1.00 0.00 N ATOM 1594 CA GLU A 103 13.405 15.502 -48.862 1.00 0.00 C ATOM 1595 C GLU A 103 14.073 14.649 -49.926 1.00 0.00 C ATOM 1596 O GLU A 103 15.154 14.944 -50.433 1.00 0.00 O ATOM 1597 CB GLU A 103 14.099 15.273 -47.525 1.00 0.00 C ATOM 1598 CG GLU A 103 15.428 16.015 -47.435 1.00 0.00 C ATOM 1599 CD GLU A 103 16.068 15.826 -46.062 1.00 0.00 C ATOM 1600 OE1 GLU A 103 16.835 14.851 -45.906 1.00 0.00 O ATOM 1601 OE2 GLU A 103 15.787 16.664 -45.172 1.00 0.00 O ATOM 0 H GLU A 103 11.794 14.648 -47.841 1.00 0.00 H new ATOM 0 HA GLU A 103 13.482 16.543 -49.175 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.445 15.601 -46.717 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.270 14.206 -47.384 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.105 15.652 -48.209 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.269 17.077 -47.623 1.00 0.00 H new ATOM 1608 N LEU A 104 13.368 13.575 -50.226 1.00 0.00 N ATOM 1609 CA LEU A 104 13.763 12.473 -51.071 1.00 0.00 C ATOM 1610 C LEU A 104 12.558 11.894 -51.808 1.00 0.00 C ATOM 1611 O LEU A 104 11.413 12.258 -51.532 1.00 0.00 O ATOM 1612 CB LEU A 104 14.316 11.393 -50.150 1.00 0.00 C ATOM 1613 CG LEU A 104 15.741 11.662 -49.707 1.00 0.00 C ATOM 1614 CD1 LEU A 104 15.995 11.090 -48.318 1.00 0.00 C ATOM 1615 CD2 LEU A 104 16.576 10.881 -50.707 1.00 0.00 C ATOM 0 H LEU A 104 12.428 13.444 -49.852 1.00 0.00 H new ATOM 0 HA LEU A 104 14.492 12.811 -51.807 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.677 11.312 -49.270 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.276 10.432 -50.662 1.00 0.00 H new ATOM 0 HG LEU A 104 15.964 12.728 -49.668 1.00 0.00 H new ATOM 0 HD11 LEU A 104 17.024 11.296 -48.022 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.313 11.552 -47.604 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.830 10.013 -48.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 17.634 11.008 -50.476 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.317 9.824 -50.651 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.378 11.250 -51.713 1.00 0.00 H new ATOM 1627 N PRO A 105 12.831 10.985 -52.749 1.00 0.00 N ATOM 1628 CA PRO A 105 11.867 10.166 -53.455 1.00 0.00 C ATOM 1629 C PRO A 105 10.906 9.455 -52.503 1.00 0.00 C ATOM 1630 O PRO A 105 11.166 9.340 -51.306 1.00 0.00 O ATOM 1631 CB PRO A 105 12.725 9.168 -54.236 1.00 0.00 C ATOM 1632 CG PRO A 105 13.993 9.967 -54.520 1.00 0.00 C ATOM 1633 CD PRO A 105 14.169 10.674 -53.185 1.00 0.00 C ATOM 0 HA PRO A 105 11.223 10.761 -54.102 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.934 8.271 -53.654 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.235 8.845 -55.155 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.841 9.328 -54.767 1.00 0.00 H new ATOM 0 HG3 PRO A 105 13.868 10.665 -55.347 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.681 10.036 -52.465 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.769 11.578 -53.293 1.00 0.00 H new ATOM 1641 N GLU A 106 9.789 8.974 -53.049 1.00 0.00 N ATOM 1642 CA GLU A 106 8.734 8.332 -52.273 1.00 0.00 C ATOM 1643 C GLU A 106 9.097 6.891 -51.889 1.00 0.00 C ATOM 1644 O GLU A 106 8.232 6.108 -51.499 1.00 0.00 O ATOM 1645 CB GLU A 106 7.431 8.405 -53.077 1.00 0.00 C ATOM 1646 CG GLU A 106 6.200 8.238 -52.186 1.00 0.00 C ATOM 1647 CD GLU A 106 4.917 8.415 -52.994 1.00 0.00 C ATOM 1648 OE1 GLU A 106 4.454 7.406 -53.575 1.00 0.00 O ATOM 1649 OE2 GLU A 106 4.404 9.559 -53.025 1.00 0.00 O ATOM 0 H GLU A 106 9.592 9.020 -54.049 1.00 0.00 H new ATOM 0 HA GLU A 106 8.605 8.860 -51.328 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.377 9.363 -53.594 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.433 7.629 -53.842 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.211 7.251 -51.725 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.229 8.968 -51.377 1.00 0.00 H new ATOM 1656 N GLY A 107 10.375 6.523 -51.999 1.00 0.00 N ATOM 1657 CA GLY A 107 10.802 5.158 -51.738 1.00 0.00 C ATOM 1658 C GLY A 107 12.312 4.967 -51.863 1.00 0.00 C ATOM 1659 O GLY A 107 12.751 3.925 -52.349 1.00 0.00 O ATOM 0 H GLY A 107 11.128 7.156 -52.268 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.488 4.871 -50.735 1.00 0.00 H new ATOM 0 HA3 GLY A 107 10.298 4.487 -52.434 1.00 0.00 H new ATOM 1663 N TYR A 108 13.112 5.954 -51.439 1.00 0.00 N ATOM 1664 CA TYR A 108 14.552 5.895 -51.504 1.00 0.00 C ATOM 1665 C TYR A 108 15.146 4.684 -50.797 1.00 0.00 C ATOM 1666 O TYR A 108 14.483 4.011 -50.007 1.00 0.00 O ATOM 1667 CB TYR A 108 15.033 7.162 -50.823 1.00 0.00 C ATOM 1668 CG TYR A 108 16.426 7.583 -51.194 1.00 0.00 C ATOM 1669 CD1 TYR A 108 16.586 8.327 -52.364 1.00 0.00 C ATOM 1670 CD2 TYR A 108 17.525 7.290 -50.377 1.00 0.00 C ATOM 1671 CE1 TYR A 108 17.825 8.891 -52.663 1.00 0.00 C ATOM 1672 CE2 TYR A 108 18.796 7.776 -50.726 1.00 0.00 C ATOM 1673 CZ TYR A 108 18.947 8.599 -51.860 1.00 0.00 C ATOM 1674 OH TYR A 108 20.169 9.115 -52.181 1.00 0.00 O ATOM 0 H TYR A 108 12.758 6.822 -51.038 1.00 0.00 H new ATOM 0 HA TYR A 108 14.868 5.807 -52.544 1.00 0.00 H new ATOM 0 HB2 TYR A 108 14.346 7.972 -51.066 1.00 0.00 H new ATOM 0 HB3 TYR A 108 14.987 7.018 -49.744 1.00 0.00 H new ATOM 0 HD1 TYR A 108 15.752 8.465 -53.036 1.00 0.00 H new ATOM 0 HD2 TYR A 108 17.396 6.695 -49.485 1.00 0.00 H new ATOM 0 HE1 TYR A 108 17.926 9.552 -53.511 1.00 0.00 H new ATOM 0 HE2 TYR A 108 19.656 7.519 -50.126 1.00 0.00 H new ATOM 0 HH TYR A 108 20.833 8.817 -51.524 1.00 0.00 H new ATOM 1684 N ASP A 109 16.415 4.421 -51.092 1.00 0.00 N ATOM 1685 CA ASP A 109 17.209 3.429 -50.395 1.00 0.00 C ATOM 1686 C ASP A 109 18.682 3.838 -50.464 1.00 0.00 C ATOM 1687 O ASP A 109 19.055 4.692 -51.268 1.00 0.00 O ATOM 1688 CB ASP A 109 16.984 2.045 -51.014 1.00 0.00 C ATOM 1689 CG ASP A 109 17.650 0.940 -50.195 1.00 0.00 C ATOM 1690 OD1 ASP A 109 17.854 1.159 -48.975 1.00 0.00 O ATOM 1691 OD2 ASP A 109 17.955 -0.115 -50.791 1.00 0.00 O ATOM 0 H ASP A 109 16.924 4.901 -51.834 1.00 0.00 H new ATOM 0 HA ASP A 109 16.908 3.374 -49.349 1.00 0.00 H new ATOM 0 HB2 ASP A 109 15.914 1.849 -51.086 1.00 0.00 H new ATOM 0 HB3 ASP A 109 17.379 2.033 -52.030 1.00 0.00 H new ATOM 1696 N ARG A 110 19.524 3.234 -49.624 1.00 0.00 N ATOM 1697 CA ARG A 110 20.912 3.643 -49.458 1.00 0.00 C ATOM 1698 C ARG A 110 21.855 2.470 -49.198 1.00 0.00 C ATOM 1699 O ARG A 110 23.049 2.680 -48.998 1.00 0.00 O ATOM 1700 CB ARG A 110 20.999 4.680 -48.327 1.00 0.00 C ATOM 1701 CG ARG A 110 20.824 4.085 -46.924 1.00 0.00 C ATOM 1702 CD ARG A 110 19.497 3.339 -46.753 1.00 0.00 C ATOM 1703 NE ARG A 110 19.293 2.910 -45.368 1.00 0.00 N ATOM 1704 CZ ARG A 110 18.525 1.870 -45.020 1.00 0.00 C ATOM 1705 NH1 ARG A 110 17.886 1.159 -45.945 1.00 0.00 N ATOM 1706 NH2 ARG A 110 18.393 1.537 -43.741 1.00 0.00 N ATOM 0 H ARG A 110 19.257 2.443 -49.038 1.00 0.00 H new ATOM 0 HA ARG A 110 21.243 4.087 -50.397 1.00 0.00 H new ATOM 0 HB2 ARG A 110 21.965 5.181 -48.380 1.00 0.00 H new ATOM 0 HB3 ARG A 110 20.236 5.442 -48.486 1.00 0.00 H new ATOM 0 HG2 ARG A 110 21.648 3.401 -46.720 1.00 0.00 H new ATOM 0 HG3 ARG A 110 20.883 4.885 -46.186 1.00 0.00 H new ATOM 0 HD2 ARG A 110 18.674 3.985 -47.059 1.00 0.00 H new ATOM 0 HD3 ARG A 110 19.481 2.469 -47.410 1.00 0.00 H new ATOM 0 HE ARG A 110 19.762 3.432 -44.628 1.00 0.00 H new ATOM 0 HH11 ARG A 110 17.979 1.404 -46.931 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.304 0.369 -45.669 1.00 0.00 H new ATOM 0 HH21 ARG A 110 18.877 2.074 -43.022 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.807 0.744 -43.478 1.00 0.00 H new ATOM 1720 N SER A 111 21.330 1.240 -49.199 1.00 0.00 N ATOM 1721 CA SER A 111 22.119 0.042 -48.943 1.00 0.00 C ATOM 1722 C SER A 111 21.472 -1.171 -49.605 1.00 0.00 C ATOM 1723 O SER A 111 21.905 -1.500 -50.732 1.00 0.00 O ATOM 1724 CB SER A 111 22.246 -0.154 -47.430 1.00 0.00 C ATOM 1725 OG SER A 111 23.056 -1.277 -47.153 1.00 0.00 O ATOM 1726 OXT SER A 111 20.556 -1.758 -48.988 1.00 0.00 O ATOM 0 H SER A 111 20.344 1.053 -49.378 1.00 0.00 H new ATOM 0 HA SER A 111 23.115 0.156 -49.371 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.678 0.737 -46.975 1.00 0.00 H new ATOM 0 HB3 SER A 111 21.259 -0.290 -46.989 1.00 0.00 H new ATOM 0 HG SER A 111 23.133 -1.394 -46.183 1.00 0.00 H new TER 1732 SER A 111 ATOM 1733 N ALA B 701 20.291 17.857 -16.366 1.00 0.00 N ATOM 1734 CA ALA B 701 19.517 17.230 -15.280 1.00 0.00 C ATOM 1735 C ALA B 701 19.428 18.156 -14.073 1.00 0.00 C ATOM 1736 O ALA B 701 20.422 18.766 -13.682 1.00 0.00 O ATOM 1737 CB ALA B 701 20.134 15.893 -14.872 1.00 0.00 C ATOM 0 HA ALA B 701 18.509 17.047 -15.653 1.00 0.00 H new ATOM 0 HB1 ALA B 701 19.545 15.450 -14.069 1.00 0.00 H new ATOM 0 HB2 ALA B 701 20.143 15.220 -15.729 1.00 0.00 H new ATOM 0 HB3 ALA B 701 21.155 16.054 -14.526 1.00 0.00 H new ATOM 1745 N ASP B 702 18.235 18.261 -13.485 1.00 0.00 N ATOM 1746 CA ASP B 702 18.002 19.098 -12.314 1.00 0.00 C ATOM 1747 C ASP B 702 16.945 18.468 -11.403 1.00 0.00 C ATOM 1748 O ASP B 702 16.353 19.134 -10.556 1.00 0.00 O ATOM 1749 CB ASP B 702 17.597 20.502 -12.773 1.00 0.00 C ATOM 1750 CG ASP B 702 17.528 21.493 -11.613 1.00 0.00 C ATOM 1751 OD1 ASP B 702 18.514 21.555 -10.848 1.00 0.00 O ATOM 1752 OD2 ASP B 702 16.491 22.182 -11.501 1.00 0.00 O ATOM 0 H ASP B 702 17.404 17.766 -13.810 1.00 0.00 H new ATOM 0 HA ASP B 702 18.918 19.177 -11.729 1.00 0.00 H new ATOM 0 HB2 ASP B 702 18.313 20.861 -13.513 1.00 0.00 H new ATOM 0 HB3 ASP B 702 16.626 20.455 -13.266 1.00 0.00 H new ATOM 1757 N THR B 703 16.707 17.170 -11.585 1.00 0.00 N ATOM 1758 CA THR B 703 15.710 16.414 -10.842 1.00 0.00 C ATOM 1759 C THR B 703 16.024 14.927 -10.915 1.00 0.00 C ATOM 1760 O THR B 703 16.618 14.456 -11.883 1.00 0.00 O ATOM 1761 CB THR B 703 14.321 16.721 -11.391 1.00 0.00 C ATOM 1762 OG1 THR B 703 13.367 15.952 -10.697 1.00 0.00 O ATOM 1763 CG2 THR B 703 14.264 16.429 -12.887 1.00 0.00 C ATOM 0 H THR B 703 17.214 16.607 -12.268 1.00 0.00 H new ATOM 0 HA THR B 703 15.732 16.707 -9.792 1.00 0.00 H new ATOM 0 HB THR B 703 14.100 17.779 -11.247 1.00 0.00 H new ATOM 0 HG1 THR B 703 12.466 16.260 -10.930 1.00 0.00 H new ATOM 0 HG21 THR B 703 13.266 16.653 -13.264 1.00 0.00 H new ATOM 0 HG22 THR B 703 14.996 17.048 -13.407 1.00 0.00 H new ATOM 0 HG23 THR B 703 14.490 15.377 -13.061 1.00 0.00 H new ATOM 1771 N GLU B 704 15.623 14.185 -9.884 1.00 0.00 N ATOM 1772 CA GLU B 704 15.888 12.756 -9.786 1.00 0.00 C ATOM 1773 C GLU B 704 15.067 11.942 -10.780 1.00 0.00 C ATOM 1774 O GLU B 704 15.382 10.778 -11.017 1.00 0.00 O ATOM 1775 CB GLU B 704 15.633 12.295 -8.349 1.00 0.00 C ATOM 1776 CG GLU B 704 14.185 12.557 -7.934 1.00 0.00 C ATOM 1777 CD GLU B 704 13.978 12.278 -6.448 1.00 0.00 C ATOM 1778 OE1 GLU B 704 14.651 11.362 -5.924 1.00 0.00 O ATOM 1779 OE2 GLU B 704 13.143 12.986 -5.842 1.00 0.00 O ATOM 0 H GLU B 704 15.103 14.562 -9.092 1.00 0.00 H new ATOM 0 HA GLU B 704 16.933 12.584 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU B 704 15.853 11.231 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU B 704 16.309 12.817 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU B 704 13.923 13.592 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU B 704 13.516 11.928 -8.521 1.00 0.00 H new ATOM 1786 N MET B 705 14.019 12.524 -11.374 1.00 0.00 N ATOM 1787 CA MET B 705 13.292 11.841 -12.437 1.00 0.00 C ATOM 1788 C MET B 705 14.088 11.850 -13.735 1.00 0.00 C ATOM 1789 O MET B 705 13.777 11.091 -14.649 1.00 0.00 O ATOM 1790 CB MET B 705 11.921 12.449 -12.675 1.00 0.00 C ATOM 1791 CG MET B 705 11.980 13.972 -12.792 1.00 0.00 C ATOM 1792 SD MET B 705 10.495 14.834 -12.224 1.00 0.00 S ATOM 1793 CE MET B 705 10.180 13.830 -10.754 1.00 0.00 C ATOM 0 H MET B 705 13.664 13.451 -11.138 1.00 0.00 H new ATOM 0 HA MET B 705 13.152 10.811 -12.108 1.00 0.00 H new ATOM 0 HB2 MET B 705 11.493 12.032 -13.587 1.00 0.00 H new ATOM 0 HB3 MET B 705 11.256 12.174 -11.856 1.00 0.00 H new ATOM 0 HG2 MET B 705 12.834 14.334 -12.220 1.00 0.00 H new ATOM 0 HG3 MET B 705 12.160 14.236 -13.834 1.00 0.00 H new ATOM 0 HE1 MET B 705 9.510 14.368 -10.083 1.00 0.00 H new ATOM 0 HE2 MET B 705 9.719 12.888 -11.049 1.00 0.00 H new ATOM 0 HE3 MET B 705 11.121 13.629 -10.242 1.00 0.00 H new ATOM 1803 N GLU B 706 15.109 12.707 -13.815 1.00 0.00 N ATOM 1804 CA GLU B 706 16.012 12.717 -14.957 1.00 0.00 C ATOM 1805 C GLU B 706 17.181 11.767 -14.671 1.00 0.00 C ATOM 1806 O GLU B 706 18.189 11.754 -15.374 1.00 0.00 O ATOM 1807 CB GLU B 706 16.444 14.152 -15.256 1.00 0.00 C ATOM 1808 CG GLU B 706 16.536 14.339 -16.769 1.00 0.00 C ATOM 1809 CD GLU B 706 17.018 15.742 -17.119 1.00 0.00 C ATOM 1810 OE1 GLU B 706 16.319 16.709 -16.747 1.00 0.00 O ATOM 1811 OE2 GLU B 706 18.089 15.849 -17.759 1.00 0.00 O ATOM 0 H GLU B 706 15.327 13.401 -13.100 1.00 0.00 H new ATOM 0 HA GLU B 706 15.518 12.354 -15.858 1.00 0.00 H new ATOM 0 HB2 GLU B 706 15.728 14.857 -14.832 1.00 0.00 H new ATOM 0 HB3 GLU B 706 17.408 14.359 -14.792 1.00 0.00 H new ATOM 0 HG2 GLU B 706 17.219 13.601 -17.189 1.00 0.00 H new ATOM 0 HG3 GLU B 706 15.560 14.163 -17.221 1.00 0.00 H new ATOM 1818 N GLU B 707 17.011 10.968 -13.613 1.00 0.00 N ATOM 1819 CA GLU B 707 17.876 9.880 -13.191 1.00 0.00 C ATOM 1820 C GLU B 707 16.973 8.657 -13.012 1.00 0.00 C ATOM 1821 O GLU B 707 15.767 8.755 -13.239 1.00 0.00 O ATOM 1822 CB GLU B 707 18.602 10.266 -11.898 1.00 0.00 C ATOM 1823 CG GLU B 707 19.658 11.347 -12.140 1.00 0.00 C ATOM 1824 CD GLU B 707 20.784 10.872 -13.062 1.00 0.00 C ATOM 1825 OE1 GLU B 707 21.059 9.650 -13.068 1.00 0.00 O ATOM 1826 OE2 GLU B 707 21.365 11.735 -13.757 1.00 0.00 O ATOM 0 H GLU B 707 16.209 11.078 -12.992 1.00 0.00 H new ATOM 0 HA GLU B 707 18.653 9.659 -13.923 1.00 0.00 H new ATOM 0 HB2 GLU B 707 17.877 10.623 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU B 707 19.077 9.383 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU B 707 19.181 12.225 -12.577 1.00 0.00 H new ATOM 0 HG3 GLU B 707 20.082 11.657 -11.185 1.00 0.00 H new ATOM 1833 N VAL B 708 17.515 7.503 -12.615 1.00 0.00 N ATOM 1834 CA VAL B 708 16.716 6.285 -12.698 1.00 0.00 C ATOM 1835 C VAL B 708 16.008 5.912 -11.392 1.00 0.00 C ATOM 1836 O VAL B 708 14.814 6.187 -11.272 1.00 0.00 O ATOM 1837 CB VAL B 708 17.529 5.145 -13.323 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.326 5.671 -14.512 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.556 4.485 -12.414 1.00 0.00 C ATOM 0 H VAL B 708 18.460 7.389 -12.249 1.00 0.00 H new ATOM 0 HA VAL B 708 15.886 6.490 -13.375 1.00 0.00 H new ATOM 0 HB VAL B 708 16.773 4.403 -13.578 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.902 4.857 -14.953 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.642 6.077 -15.258 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.004 6.456 -14.177 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.071 3.694 -12.960 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.281 5.229 -12.084 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.053 4.058 -11.546 1.00 0.00 H new ATOM 1849 N ASP B 709 16.699 5.304 -10.421 1.00 0.00 N ATOM 1850 CA ASP B 709 16.058 4.804 -9.209 1.00 0.00 C ATOM 1851 C ASP B 709 15.950 5.897 -8.151 1.00 0.00 C ATOM 1852 O ASP B 709 14.825 6.090 -7.640 1.00 0.00 O ATOM 1853 CB ASP B 709 16.793 3.585 -8.649 1.00 0.00 C ATOM 1854 CG ASP B 709 18.274 3.826 -8.341 1.00 0.00 C ATOM 1855 OD1 ASP B 709 19.005 4.261 -9.259 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.662 3.570 -7.179 1.00 0.00 O ATOM 1857 OXT ASP B 709 16.983 6.538 -7.864 1.00 0.00 O ATOM 0 H ASP B 709 17.706 5.148 -10.456 1.00 0.00 H new ATOM 0 HA ASP B 709 15.050 4.492 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.292 3.262 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.712 2.767 -9.364 1.00 0.00 H new TER 1862 ASP B 709