USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 63 LYS NZ :NH3+ -170:sc= -3.17 (180deg=-1.95) USER MOD Set 1.2: A 96 HIS : no HD1:sc= -23.9! C(o=-27!,f=-27!) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= -2.1! USER MOD Set 2.2: A 98 LYS NZ :NH3+ 144:sc= 0.00057 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 22 GLN : amide:sc= -8.45! C(o=-8.5!,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.182 (180deg=-0.261) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.194 F(o=-1.1,f=-0.19) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -39:sc= 1.17 USER MOD Single : A 37 ASN : amide:sc= -3.07! C(o=-3.1!,f=-4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -91:sc= -10.5! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.07) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.65) USER MOD Single : A 58 THR OG1 : rot -30:sc= 0.407 USER MOD Single : A 59 ASN : amide:sc= -6.52! C(o=-6.5!,f=-7.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= -4.6! USER MOD Single : A 92 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.037) USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= -0.271 (180deg=-1.61!) USER MOD Single : A 94 TYR OH : rot 130:sc= -2.16! USER MOD Single : A 95 MET CE :methyl -148:sc= -5.64! (180deg=-10!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 70:sc= -4! USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105AASN :FLIP amide:sc= -0.617! F(o=-1.5,f=-0.62!) USER MOD Single : A 111 THR OG1 : rot 11:sc= -4.41! USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -7.85! C(o=-7.8!,f=-8.1!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.88!) USER MOD Single : A 118 LYS NZ :NH3+ 142:sc= -0.0355 (180deg=-0.326) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -15.028 -9.797 7.046 1.00 0.00 N ATOM 2 CA MET A 6 -14.142 -9.435 5.904 1.00 0.00 C ATOM 3 C MET A 6 -13.865 -7.931 5.932 1.00 0.00 C ATOM 4 O MET A 6 -12.815 -7.477 5.526 1.00 0.00 O ATOM 5 CB MET A 6 -14.831 -9.806 4.589 1.00 0.00 C ATOM 6 CG MET A 6 -13.775 -10.019 3.503 1.00 0.00 C ATOM 7 SD MET A 6 -13.643 -11.784 3.126 1.00 0.00 S ATOM 8 CE MET A 6 -11.847 -11.919 3.302 1.00 0.00 C ATOM 0 HA MET A 6 -13.200 -9.978 5.985 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.422 -10.712 4.719 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.520 -9.016 4.291 1.00 0.00 H new ATOM 0 HG2 MET A 6 -14.045 -9.464 2.605 1.00 0.00 H new ATOM 0 HG3 MET A 6 -12.811 -9.635 3.838 1.00 0.00 H new ATOM 0 HE1 MET A 6 -11.539 -12.947 3.109 1.00 0.00 H new ATOM 0 HE2 MET A 6 -11.360 -11.254 2.588 1.00 0.00 H new ATOM 0 HE3 MET A 6 -11.559 -11.638 4.315 1.00 0.00 H new ATOM 20 N ILE A 7 -14.799 -7.152 6.409 1.00 0.00 N ATOM 21 CA ILE A 7 -14.586 -5.680 6.459 1.00 0.00 C ATOM 22 C ILE A 7 -15.288 -5.097 7.690 1.00 0.00 C ATOM 23 O ILE A 7 -16.414 -4.647 7.603 1.00 0.00 O ATOM 24 CB ILE A 7 -15.165 -5.044 5.195 1.00 0.00 C ATOM 25 CG1 ILE A 7 -16.532 -5.659 4.896 1.00 0.00 C ATOM 26 CG2 ILE A 7 -14.224 -5.299 4.017 1.00 0.00 C ATOM 27 CD1 ILE A 7 -17.349 -4.689 4.040 1.00 0.00 C ATOM 0 H ILE A 7 -15.699 -7.473 6.766 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.518 -5.470 6.521 1.00 0.00 H new ATOM 0 HB ILE A 7 -15.274 -3.970 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.410 -6.608 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.058 -5.873 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.637 -4.845 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -13.249 -4.861 4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.114 -6.373 3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.324 -5.126 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.482 -3.751 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.823 -4.498 3.104 1.00 0.00 H new ATOM 39 N PRO A 8 -14.599 -5.119 8.801 1.00 0.00 N ATOM 40 CA PRO A 8 -15.125 -4.594 10.075 1.00 0.00 C ATOM 41 C PRO A 8 -15.031 -3.065 10.104 1.00 0.00 C ATOM 42 O PRO A 8 -16.030 -2.372 10.133 1.00 0.00 O ATOM 43 CB PRO A 8 -14.199 -5.214 11.126 1.00 0.00 C ATOM 44 CG PRO A 8 -12.888 -5.583 10.391 1.00 0.00 C ATOM 45 CD PRO A 8 -13.231 -5.672 8.892 1.00 0.00 C ATOM 0 HA PRO A 8 -16.175 -4.838 10.238 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.005 -4.511 11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.655 -6.097 11.573 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.120 -4.830 10.568 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.494 -6.532 10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.528 -5.098 8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.193 -6.701 8.535 1.00 0.00 H new ATOM 53 N GLY A 9 -13.839 -2.535 10.098 1.00 0.00 N ATOM 54 CA GLY A 9 -13.681 -1.055 10.127 1.00 0.00 C ATOM 55 C GLY A 9 -12.623 -0.676 11.163 1.00 0.00 C ATOM 56 O GLY A 9 -12.585 -1.213 12.251 1.00 0.00 O ATOM 0 H GLY A 9 -12.967 -3.064 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.388 -0.690 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.632 -0.582 10.372 1.00 0.00 H new ATOM 60 N GLY A 10 -11.760 0.243 10.832 1.00 0.00 N ATOM 61 CA GLY A 10 -10.701 0.654 11.797 1.00 0.00 C ATOM 62 C GLY A 10 -9.455 -0.202 11.579 1.00 0.00 C ATOM 63 O GLY A 10 -9.531 -1.407 11.447 1.00 0.00 O ATOM 0 H GLY A 10 -11.742 0.728 9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.460 1.708 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.061 0.538 12.819 1.00 0.00 H new ATOM 67 N LEU A 11 -8.311 0.420 11.527 1.00 0.00 N ATOM 68 CA LEU A 11 -7.050 -0.335 11.303 1.00 0.00 C ATOM 69 C LEU A 11 -7.052 -1.642 12.085 1.00 0.00 C ATOM 70 O LEU A 11 -7.061 -1.664 13.300 1.00 0.00 O ATOM 71 CB LEU A 11 -5.873 0.530 11.727 1.00 0.00 C ATOM 72 CG LEU A 11 -5.606 1.504 10.594 1.00 0.00 C ATOM 73 CD1 LEU A 11 -5.872 2.935 11.062 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.154 1.381 10.135 1.00 0.00 C ATOM 0 H LEU A 11 -8.196 1.428 11.631 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.965 -0.580 10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.100 1.065 12.649 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.994 -0.084 11.923 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.270 1.268 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.678 3.628 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.911 3.028 11.377 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.216 3.171 11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.969 2.083 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.489 1.607 10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.967 0.365 9.787 1.00 0.00 H new ATOM 86 N SER A 12 -7.035 -2.730 11.376 1.00 0.00 N ATOM 87 CA SER A 12 -7.025 -4.066 12.034 1.00 0.00 C ATOM 88 C SER A 12 -5.602 -4.630 12.008 1.00 0.00 C ATOM 89 O SER A 12 -4.722 -4.087 11.370 1.00 0.00 O ATOM 90 CB SER A 12 -7.963 -5.014 11.284 1.00 0.00 C ATOM 91 OG SER A 12 -8.652 -5.831 12.222 1.00 0.00 O ATOM 0 H SER A 12 -7.027 -2.754 10.356 1.00 0.00 H new ATOM 0 HA SER A 12 -7.362 -3.967 13.066 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.676 -4.443 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.394 -5.635 10.592 1.00 0.00 H new ATOM 0 HG SER A 12 -9.255 -6.439 11.745 1.00 0.00 H new ATOM 97 N GLU A 13 -5.370 -5.715 12.695 1.00 0.00 N ATOM 98 CA GLU A 13 -4.008 -6.313 12.708 1.00 0.00 C ATOM 99 C GLU A 13 -3.439 -6.307 11.290 1.00 0.00 C ATOM 100 O GLU A 13 -4.146 -6.081 10.327 1.00 0.00 O ATOM 101 CB GLU A 13 -4.082 -7.754 13.219 1.00 0.00 C ATOM 102 CG GLU A 13 -2.668 -8.305 13.417 1.00 0.00 C ATOM 103 CD GLU A 13 -2.232 -9.067 12.162 1.00 0.00 C ATOM 104 OE1 GLU A 13 -3.097 -9.604 11.489 1.00 0.00 O ATOM 105 OE2 GLU A 13 -1.042 -9.100 11.898 1.00 0.00 O ATOM 0 H GLU A 13 -6.067 -6.213 13.248 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.363 -5.729 13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.631 -7.788 14.160 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.628 -8.374 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.974 -7.489 13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.643 -8.966 14.283 1.00 0.00 H new ATOM 112 N ALA A 14 -2.167 -6.550 11.149 1.00 0.00 N ATOM 113 CA ALA A 14 -1.562 -6.551 9.787 1.00 0.00 C ATOM 114 C ALA A 14 -2.020 -7.768 9.008 1.00 0.00 C ATOM 115 O ALA A 14 -1.490 -8.850 9.174 1.00 0.00 O ATOM 116 CB ALA A 14 -0.039 -6.623 9.859 1.00 0.00 C ATOM 0 H ALA A 14 -1.521 -6.747 11.914 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.877 -5.628 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.373 -6.622 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.341 -5.761 10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.258 -7.538 10.372 1.00 0.00 H new ATOM 122 N LYS A 15 -2.933 -7.607 8.106 1.00 0.00 N ATOM 123 CA LYS A 15 -3.308 -8.773 7.288 1.00 0.00 C ATOM 124 C LYS A 15 -2.125 -8.953 6.354 1.00 0.00 C ATOM 125 O LYS A 15 -1.640 -7.986 5.810 1.00 0.00 O ATOM 126 CB LYS A 15 -4.591 -8.486 6.504 1.00 0.00 C ATOM 127 CG LYS A 15 -5.786 -8.503 7.460 1.00 0.00 C ATOM 128 CD LYS A 15 -5.815 -9.828 8.228 1.00 0.00 C ATOM 129 CE LYS A 15 -5.508 -9.570 9.705 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.780 -9.306 10.437 1.00 0.00 N ATOM 0 H LYS A 15 -3.426 -6.737 7.903 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.511 -9.665 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.520 -7.517 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.727 -9.233 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.717 -7.669 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.713 -8.375 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.793 -10.298 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.084 -10.519 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.999 -10.431 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.835 -8.718 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.573 -9.130 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.249 -8.472 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.407 -10.131 10.352 1.00 0.00 H new ATOM 144 N PRO A 16 -1.642 -10.145 6.218 1.00 0.00 N ATOM 145 CA PRO A 16 -0.460 -10.372 5.387 1.00 0.00 C ATOM 146 C PRO A 16 -0.797 -10.057 3.928 1.00 0.00 C ATOM 147 O PRO A 16 -1.785 -10.520 3.395 1.00 0.00 O ATOM 148 CB PRO A 16 -0.118 -11.846 5.629 1.00 0.00 C ATOM 149 CG PRO A 16 -1.414 -12.500 6.167 1.00 0.00 C ATOM 150 CD PRO A 16 -2.225 -11.360 6.816 1.00 0.00 C ATOM 0 HA PRO A 16 0.392 -9.736 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.209 -12.327 4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.696 -11.945 6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.978 -12.971 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.185 -13.280 6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.289 -11.447 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.124 -11.362 7.901 1.00 0.00 H new ATOM 158 N ALA A 17 -0.008 -9.230 3.298 1.00 0.00 N ATOM 159 CA ALA A 17 -0.312 -8.835 1.894 1.00 0.00 C ATOM 160 C ALA A 17 -0.648 -10.042 1.023 1.00 0.00 C ATOM 161 O ALA A 17 0.064 -11.027 0.983 1.00 0.00 O ATOM 162 CB ALA A 17 0.879 -8.110 1.276 1.00 0.00 C ATOM 0 H ALA A 17 0.833 -8.811 3.695 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.180 -8.176 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.641 -7.828 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.101 -7.214 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.747 -8.769 1.279 1.00 0.00 H new ATOM 168 N THR A 18 -1.712 -9.927 0.286 1.00 0.00 N ATOM 169 CA THR A 18 -2.123 -11.004 -0.656 1.00 0.00 C ATOM 170 C THR A 18 -1.701 -10.510 -2.040 1.00 0.00 C ATOM 171 O THR A 18 -1.054 -9.488 -2.124 1.00 0.00 O ATOM 172 CB THR A 18 -3.652 -11.194 -0.581 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.272 -10.563 -1.682 1.00 0.00 O ATOM 174 CG2 THR A 18 -4.199 -10.565 0.691 1.00 0.00 C ATOM 0 H THR A 18 -2.329 -9.115 0.296 1.00 0.00 H new ATOM 0 HA THR A 18 -1.666 -11.966 -0.423 1.00 0.00 H new ATOM 0 HB THR A 18 -3.861 -12.264 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.242 -10.690 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.279 -10.706 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.738 -11.038 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.972 -9.499 0.696 1.00 0.00 H new ATOM 182 N PRO A 19 -2.066 -11.190 -3.093 1.00 0.00 N ATOM 183 CA PRO A 19 -1.694 -10.722 -4.436 1.00 0.00 C ATOM 184 C PRO A 19 -2.445 -9.424 -4.753 1.00 0.00 C ATOM 185 O PRO A 19 -2.061 -8.658 -5.620 1.00 0.00 O ATOM 186 CB PRO A 19 -2.089 -11.884 -5.354 1.00 0.00 C ATOM 187 CG PRO A 19 -3.127 -12.718 -4.571 1.00 0.00 C ATOM 188 CD PRO A 19 -2.865 -12.438 -3.077 1.00 0.00 C ATOM 0 HA PRO A 19 -0.637 -10.480 -4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.511 -11.515 -6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.220 -12.488 -5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.143 -12.435 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.020 -13.780 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.795 -12.312 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.322 -13.256 -2.605 1.00 0.00 H new ATOM 196 N GLU A 20 -3.490 -9.146 -4.023 1.00 0.00 N ATOM 197 CA GLU A 20 -4.244 -7.888 -4.256 1.00 0.00 C ATOM 198 C GLU A 20 -3.520 -6.750 -3.541 1.00 0.00 C ATOM 199 O GLU A 20 -3.457 -5.637 -4.025 1.00 0.00 O ATOM 200 CB GLU A 20 -5.662 -8.023 -3.696 1.00 0.00 C ATOM 201 CG GLU A 20 -6.500 -8.901 -4.626 1.00 0.00 C ATOM 202 CD GLU A 20 -7.107 -8.038 -5.733 1.00 0.00 C ATOM 203 OE1 GLU A 20 -7.808 -7.094 -5.405 1.00 0.00 O ATOM 204 OE2 GLU A 20 -6.861 -8.335 -6.890 1.00 0.00 O ATOM 0 H GLU A 20 -3.852 -9.738 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.304 -7.683 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.630 -8.460 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.120 -7.039 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.879 -9.685 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.290 -9.396 -4.062 1.00 0.00 H new ATOM 211 N ILE A 21 -2.967 -7.027 -2.393 1.00 0.00 N ATOM 212 CA ILE A 21 -2.239 -5.969 -1.646 1.00 0.00 C ATOM 213 C ILE A 21 -0.972 -5.642 -2.438 1.00 0.00 C ATOM 214 O ILE A 21 -0.656 -4.494 -2.676 1.00 0.00 O ATOM 215 CB ILE A 21 -1.910 -6.471 -0.230 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.194 -6.545 0.617 1.00 0.00 C ATOM 217 CG2 ILE A 21 -0.943 -5.503 0.464 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.399 -6.980 -0.225 1.00 0.00 C ATOM 0 H ILE A 21 -2.989 -7.941 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.842 -5.068 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.457 -7.458 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.050 -7.248 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.393 -5.571 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.718 -5.869 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.021 -5.434 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.402 -4.517 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.287 -7.021 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.558 -6.263 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.209 -7.966 -0.650 1.00 0.00 H new ATOM 230 N GLN A 22 -0.270 -6.647 -2.892 1.00 0.00 N ATOM 231 CA GLN A 22 0.941 -6.389 -3.719 1.00 0.00 C ATOM 232 C GLN A 22 0.477 -5.767 -5.040 1.00 0.00 C ATOM 233 O GLN A 22 1.243 -5.152 -5.748 1.00 0.00 O ATOM 234 CB GLN A 22 1.691 -7.707 -3.978 1.00 0.00 C ATOM 235 CG GLN A 22 2.587 -7.594 -5.226 1.00 0.00 C ATOM 236 CD GLN A 22 3.894 -6.871 -4.878 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.792 -7.463 -4.314 1.00 0.00 O ATOM 238 NE2 GLN A 22 4.044 -5.610 -5.193 1.00 0.00 N ATOM 0 H GLN A 22 -0.483 -7.631 -2.726 1.00 0.00 H new ATOM 0 HA GLN A 22 1.623 -5.712 -3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.300 -7.960 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.975 -8.517 -4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.806 -8.588 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.061 -7.052 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.292 -5.110 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.913 -5.127 -4.965 1.00 0.00 H new ATOM 247 N GLU A 23 -0.777 -5.918 -5.381 1.00 0.00 N ATOM 248 CA GLU A 23 -1.264 -5.306 -6.650 1.00 0.00 C ATOM 249 C GLU A 23 -1.428 -3.800 -6.439 1.00 0.00 C ATOM 250 O GLU A 23 -1.256 -3.013 -7.343 1.00 0.00 O ATOM 251 CB GLU A 23 -2.607 -5.926 -7.047 1.00 0.00 C ATOM 252 CG GLU A 23 -2.599 -6.237 -8.544 1.00 0.00 C ATOM 253 CD GLU A 23 -1.694 -7.440 -8.810 1.00 0.00 C ATOM 254 OE1 GLU A 23 -0.642 -7.512 -8.196 1.00 0.00 O ATOM 255 OE2 GLU A 23 -2.067 -8.269 -9.624 1.00 0.00 O ATOM 0 H GLU A 23 -1.475 -6.431 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.545 -5.491 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.782 -6.838 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.421 -5.240 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.612 -6.447 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.245 -5.371 -9.104 1.00 0.00 H new ATOM 262 N ILE A 24 -1.735 -3.404 -5.238 1.00 0.00 N ATOM 263 CA ILE A 24 -1.885 -1.954 -4.917 1.00 0.00 C ATOM 264 C ILE A 24 -0.515 -1.316 -4.927 1.00 0.00 C ATOM 265 O ILE A 24 -0.275 -0.321 -5.577 1.00 0.00 O ATOM 266 CB ILE A 24 -2.461 -1.841 -3.513 1.00 0.00 C ATOM 267 CG1 ILE A 24 -3.919 -2.280 -3.519 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.368 -0.403 -3.025 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.304 -2.681 -2.101 1.00 0.00 C ATOM 0 H ILE A 24 -1.892 -4.032 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.535 -1.463 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.889 -2.484 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.558 -1.470 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.060 -3.118 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.783 -0.332 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.324 -0.091 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.931 0.246 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.346 -2.999 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.668 -3.502 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.173 -1.829 -1.434 1.00 0.00 H new ATOM 281 N VAL A 25 0.381 -1.898 -4.204 1.00 0.00 N ATOM 282 CA VAL A 25 1.755 -1.366 -4.134 1.00 0.00 C ATOM 283 C VAL A 25 2.359 -1.366 -5.528 1.00 0.00 C ATOM 284 O VAL A 25 2.999 -0.427 -5.948 1.00 0.00 O ATOM 285 CB VAL A 25 2.551 -2.288 -3.260 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.520 -3.648 -3.888 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.982 -1.825 -3.192 1.00 0.00 C ATOM 0 H VAL A 25 0.217 -2.737 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 25 1.758 -0.351 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 25 2.132 -2.304 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.092 -4.345 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.488 -3.991 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.958 -3.598 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.553 -2.500 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.411 -1.821 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.019 -0.817 -2.778 1.00 0.00 H new ATOM 297 N ASP A 26 2.140 -2.423 -6.244 1.00 0.00 N ATOM 298 CA ASP A 26 2.669 -2.516 -7.630 1.00 0.00 C ATOM 299 C ASP A 26 1.795 -1.632 -8.503 1.00 0.00 C ATOM 300 O ASP A 26 2.186 -1.192 -9.567 1.00 0.00 O ATOM 301 CB ASP A 26 2.597 -3.963 -8.121 1.00 0.00 C ATOM 302 CG ASP A 26 3.812 -4.261 -9.004 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.832 -3.789 -10.128 1.00 0.00 O ATOM 304 OD2 ASP A 26 4.701 -4.956 -8.539 1.00 0.00 O ATOM 0 H ASP A 26 1.612 -3.237 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 26 3.710 -2.195 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.574 -4.646 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.677 -4.123 -8.683 1.00 0.00 H new ATOM 309 N LYS A 27 0.613 -1.347 -8.034 1.00 0.00 N ATOM 310 CA LYS A 27 -0.299 -0.458 -8.806 1.00 0.00 C ATOM 311 C LYS A 27 0.104 0.990 -8.531 1.00 0.00 C ATOM 312 O LYS A 27 -0.410 1.917 -9.125 1.00 0.00 O ATOM 313 CB LYS A 27 -1.745 -0.668 -8.353 1.00 0.00 C ATOM 314 CG LYS A 27 -2.416 -1.732 -9.225 1.00 0.00 C ATOM 315 CD LYS A 27 -3.720 -2.182 -8.562 1.00 0.00 C ATOM 316 CE LYS A 27 -4.799 -2.374 -9.630 1.00 0.00 C ATOM 317 NZ LYS A 27 -6.091 -1.820 -9.132 1.00 0.00 N ATOM 0 H LYS A 27 0.239 -1.691 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.225 -0.686 -9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.766 -0.976 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.296 0.270 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.619 -1.330 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.749 -2.584 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.561 -3.114 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.044 -1.440 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.507 -1.872 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.910 -3.433 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.878 -2.245 -9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.196 -2.040 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.101 -0.789 -9.265 1.00 0.00 H new ATOM 331 N VAL A 28 1.017 1.185 -7.618 1.00 0.00 N ATOM 332 CA VAL A 28 1.454 2.567 -7.280 1.00 0.00 C ATOM 333 C VAL A 28 2.978 2.686 -7.375 1.00 0.00 C ATOM 334 O VAL A 28 3.518 3.767 -7.292 1.00 0.00 O ATOM 335 CB VAL A 28 1.003 2.912 -5.863 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.503 3.166 -5.856 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.328 1.752 -4.924 1.00 0.00 C ATOM 0 H VAL A 28 1.479 0.444 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 28 1.003 3.261 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 28 1.525 3.807 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.826 3.412 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.735 3.996 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.025 2.271 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.005 2.001 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.808 0.855 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.403 1.571 -4.927 1.00 0.00 H new ATOM 347 N LYS A 29 3.678 1.594 -7.561 1.00 0.00 N ATOM 348 CA LYS A 29 5.162 1.668 -7.676 1.00 0.00 C ATOM 349 C LYS A 29 5.563 2.874 -8.537 1.00 0.00 C ATOM 350 O LYS A 29 6.422 3.637 -8.144 1.00 0.00 O ATOM 351 CB LYS A 29 5.696 0.381 -8.311 1.00 0.00 C ATOM 352 CG LYS A 29 7.158 0.182 -7.912 1.00 0.00 C ATOM 353 CD LYS A 29 7.502 -1.306 -7.985 1.00 0.00 C ATOM 354 CE LYS A 29 7.214 -1.825 -9.395 1.00 0.00 C ATOM 355 NZ LYS A 29 8.337 -1.457 -10.300 1.00 0.00 N ATOM 0 H LYS A 29 3.283 0.657 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 29 5.590 1.784 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.100 -0.472 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.609 0.435 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.809 0.751 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.326 0.557 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.552 -1.461 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.916 -1.862 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.088 -2.908 -9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.281 -1.402 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.141 -1.810 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.437 -0.422 -10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.219 -1.881 -9.949 1.00 0.00 H new ATOM 369 N PRO A 30 4.932 3.034 -9.685 1.00 0.00 N ATOM 370 CA PRO A 30 5.236 4.167 -10.574 1.00 0.00 C ATOM 371 C PRO A 30 4.671 5.459 -9.974 1.00 0.00 C ATOM 372 O PRO A 30 5.264 6.513 -10.077 1.00 0.00 O ATOM 373 CB PRO A 30 4.554 3.794 -11.894 1.00 0.00 C ATOM 374 CG PRO A 30 3.458 2.766 -11.542 1.00 0.00 C ATOM 375 CD PRO A 30 3.873 2.129 -10.201 1.00 0.00 C ATOM 0 HA PRO A 30 6.302 4.345 -10.714 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.122 4.674 -12.371 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.272 3.371 -12.596 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.485 3.250 -11.458 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.371 2.009 -12.321 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.031 2.066 -9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.248 1.115 -10.340 1.00 0.00 H new ATOM 383 N GLN A 31 3.544 5.377 -9.317 1.00 0.00 N ATOM 384 CA GLN A 31 2.966 6.594 -8.679 1.00 0.00 C ATOM 385 C GLN A 31 3.782 6.919 -7.422 1.00 0.00 C ATOM 386 O GLN A 31 3.574 7.925 -6.772 1.00 0.00 O ATOM 387 CB GLN A 31 1.510 6.326 -8.287 1.00 0.00 C ATOM 388 CG GLN A 31 0.673 6.095 -9.548 1.00 0.00 C ATOM 389 CD GLN A 31 -0.797 5.922 -9.161 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.224 4.752 -8.772 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.565 6.863 -9.211 1.00 0.00 N flip ATOM 0 H GLN A 31 3.001 4.522 -9.195 1.00 0.00 H new ATOM 0 HA GLN A 31 2.999 7.432 -9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.453 5.454 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.113 7.171 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.784 6.938 -10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.028 5.210 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.232 7.778 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.543 6.738 -8.949 1.00 0.00 H new ATOM 400 N LEU A 32 4.712 6.065 -7.083 1.00 0.00 N ATOM 401 CA LEU A 32 5.558 6.291 -5.884 1.00 0.00 C ATOM 402 C LEU A 32 6.912 6.841 -6.326 1.00 0.00 C ATOM 403 O LEU A 32 7.507 7.676 -5.677 1.00 0.00 O ATOM 404 CB LEU A 32 5.765 4.958 -5.166 1.00 0.00 C ATOM 405 CG LEU A 32 4.719 4.818 -4.066 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.144 3.409 -4.095 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.357 5.083 -2.701 1.00 0.00 C ATOM 0 H LEU A 32 4.921 5.209 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 32 5.074 7.001 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.680 4.133 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.767 4.912 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 32 3.923 5.543 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.395 3.305 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.681 3.225 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.944 2.686 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.603 4.981 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.158 4.364 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.766 6.093 -2.680 1.00 0.00 H new ATOM 419 N GLU A 33 7.404 6.355 -7.430 1.00 0.00 N ATOM 420 CA GLU A 33 8.725 6.815 -7.936 1.00 0.00 C ATOM 421 C GLU A 33 8.750 8.342 -8.064 1.00 0.00 C ATOM 422 O GLU A 33 9.619 9.002 -7.532 1.00 0.00 O ATOM 423 CB GLU A 33 8.990 6.183 -9.304 1.00 0.00 C ATOM 424 CG GLU A 33 9.678 4.830 -9.115 1.00 0.00 C ATOM 425 CD GLU A 33 9.189 3.853 -10.185 1.00 0.00 C ATOM 426 OE1 GLU A 33 8.449 4.280 -11.057 1.00 0.00 O ATOM 427 OE2 GLU A 33 9.564 2.693 -10.116 1.00 0.00 O ATOM 0 H GLU A 33 6.943 5.653 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 33 9.498 6.512 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.052 6.054 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.617 6.841 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.760 4.948 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.462 4.436 -8.122 1.00 0.00 H new ATOM 434 N GLU A 34 7.818 8.910 -8.782 1.00 0.00 N ATOM 435 CA GLU A 34 7.808 10.393 -8.957 1.00 0.00 C ATOM 436 C GLU A 34 7.277 11.078 -7.695 1.00 0.00 C ATOM 437 O GLU A 34 7.720 12.147 -7.326 1.00 0.00 O ATOM 438 CB GLU A 34 6.913 10.756 -10.145 1.00 0.00 C ATOM 439 CG GLU A 34 5.457 10.421 -9.809 1.00 0.00 C ATOM 440 CD GLU A 34 4.607 10.498 -11.080 1.00 0.00 C ATOM 441 OE1 GLU A 34 4.768 9.638 -11.930 1.00 0.00 O ATOM 442 OE2 GLU A 34 3.813 11.418 -11.181 1.00 0.00 O ATOM 0 H GLU A 34 7.064 8.412 -9.255 1.00 0.00 H new ATOM 0 HA GLU A 34 8.827 10.733 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.009 11.817 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.228 10.207 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.393 9.423 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.076 11.117 -9.062 1.00 0.00 H new ATOM 449 N LYS A 35 6.324 10.481 -7.034 1.00 0.00 N ATOM 450 CA LYS A 35 5.759 11.108 -5.805 1.00 0.00 C ATOM 451 C LYS A 35 6.882 11.445 -4.818 1.00 0.00 C ATOM 452 O LYS A 35 7.037 12.576 -4.403 1.00 0.00 O ATOM 453 CB LYS A 35 4.781 10.136 -5.143 1.00 0.00 C ATOM 454 CG LYS A 35 3.361 10.697 -5.247 1.00 0.00 C ATOM 455 CD LYS A 35 3.049 11.027 -6.707 1.00 0.00 C ATOM 456 CE LYS A 35 1.564 10.787 -6.979 1.00 0.00 C ATOM 457 NZ LYS A 35 0.848 12.093 -7.029 1.00 0.00 N ATOM 0 H LYS A 35 5.911 9.585 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 35 5.241 12.026 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.835 9.161 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.050 9.988 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.643 9.971 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.266 11.592 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.305 12.065 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.655 10.408 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.438 10.255 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.138 10.157 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.162 11.928 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.958 12.584 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.248 12.679 -7.789 1.00 0.00 H new ATOM 471 N THR A 36 7.660 10.472 -4.432 1.00 0.00 N ATOM 472 CA THR A 36 8.761 10.738 -3.463 1.00 0.00 C ATOM 473 C THR A 36 10.071 10.981 -4.218 1.00 0.00 C ATOM 474 O THR A 36 11.146 10.853 -3.668 1.00 0.00 O ATOM 475 CB THR A 36 8.926 9.530 -2.545 1.00 0.00 C ATOM 476 OG1 THR A 36 9.958 9.789 -1.602 1.00 0.00 O ATOM 477 CG2 THR A 36 9.290 8.310 -3.385 1.00 0.00 C ATOM 0 H THR A 36 7.581 9.504 -4.745 1.00 0.00 H new ATOM 0 HA THR A 36 8.516 11.621 -2.873 1.00 0.00 H new ATOM 0 HB THR A 36 7.994 9.341 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.687 10.276 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.409 7.443 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.497 8.116 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.224 8.498 -3.914 1.00 0.00 H new ATOM 485 N ASN A 37 9.988 11.333 -5.472 1.00 0.00 N ATOM 486 CA ASN A 37 11.226 11.591 -6.270 1.00 0.00 C ATOM 487 C ASN A 37 12.290 10.538 -5.942 1.00 0.00 C ATOM 488 O ASN A 37 13.464 10.837 -5.846 1.00 0.00 O ATOM 489 CB ASN A 37 11.774 12.992 -5.958 1.00 0.00 C ATOM 490 CG ASN A 37 11.302 13.446 -4.574 1.00 0.00 C ATOM 491 OD1 ASN A 37 11.932 13.147 -3.578 1.00 0.00 O ATOM 492 ND2 ASN A 37 10.212 14.156 -4.468 1.00 0.00 N ATOM 0 H ASN A 37 9.113 11.454 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 37 10.977 11.533 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.863 12.981 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.437 13.700 -6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.889 14.460 -3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.683 14.407 -5.304 1.00 0.00 H new ATOM 499 N GLU A 38 11.891 9.305 -5.782 1.00 0.00 N ATOM 500 CA GLU A 38 12.873 8.228 -5.475 1.00 0.00 C ATOM 501 C GLU A 38 12.521 7.005 -6.332 1.00 0.00 C ATOM 502 O GLU A 38 11.423 6.891 -6.825 1.00 0.00 O ATOM 503 CB GLU A 38 12.799 7.897 -3.972 1.00 0.00 C ATOM 504 CG GLU A 38 13.109 6.417 -3.723 1.00 0.00 C ATOM 505 CD GLU A 38 13.412 6.201 -2.238 1.00 0.00 C ATOM 506 OE1 GLU A 38 14.256 6.912 -1.717 1.00 0.00 O ATOM 507 OE2 GLU A 38 12.796 5.329 -1.649 1.00 0.00 O ATOM 0 H GLU A 38 10.921 8.997 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 38 13.891 8.542 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.507 8.518 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.805 8.134 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.262 5.801 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.961 6.106 -4.328 1.00 0.00 H new ATOM 514 N THR A 39 13.440 6.099 -6.534 1.00 0.00 N ATOM 515 CA THR A 39 13.127 4.910 -7.381 1.00 0.00 C ATOM 516 C THR A 39 12.878 3.680 -6.504 1.00 0.00 C ATOM 517 O THR A 39 13.605 3.414 -5.567 1.00 0.00 O ATOM 518 CB THR A 39 14.302 4.632 -8.324 1.00 0.00 C ATOM 519 OG1 THR A 39 14.955 5.856 -8.636 1.00 0.00 O ATOM 520 CG2 THR A 39 13.786 3.986 -9.611 1.00 0.00 C ATOM 0 H THR A 39 14.386 6.129 -6.153 1.00 0.00 H new ATOM 0 HA THR A 39 12.228 5.118 -7.961 1.00 0.00 H new ATOM 0 HB THR A 39 15.006 3.956 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.708 5.681 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.623 3.789 -10.280 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.284 3.048 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.082 4.660 -10.099 1.00 0.00 H new ATOM 528 N TYR A 40 11.856 2.923 -6.809 1.00 0.00 N ATOM 529 CA TYR A 40 11.557 1.703 -6.004 1.00 0.00 C ATOM 530 C TYR A 40 11.676 0.465 -6.898 1.00 0.00 C ATOM 531 O TYR A 40 11.763 0.564 -8.105 1.00 0.00 O ATOM 532 CB TYR A 40 10.127 1.770 -5.462 1.00 0.00 C ATOM 533 CG TYR A 40 9.978 2.928 -4.504 1.00 0.00 C ATOM 534 CD1 TYR A 40 10.380 2.794 -3.168 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.423 4.131 -4.949 1.00 0.00 C ATOM 536 CE1 TYR A 40 10.226 3.866 -2.283 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.267 5.201 -4.063 1.00 0.00 C ATOM 538 CZ TYR A 40 9.670 5.068 -2.729 1.00 0.00 C ATOM 539 OH TYR A 40 9.514 6.121 -1.852 1.00 0.00 O ATOM 0 H TYR A 40 11.215 3.098 -7.583 1.00 0.00 H new ATOM 0 HA TYR A 40 12.263 1.646 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.424 1.881 -6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.880 0.837 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.808 1.865 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.114 4.234 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.537 3.765 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.836 6.129 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 40 8.628 6.072 -1.436 1.00 0.00 H new ATOM 549 N GLY A 43 11.662 -0.700 -6.311 1.00 0.00 N ATOM 550 CA GLY A 43 11.754 -1.950 -7.117 1.00 0.00 C ATOM 551 C GLY A 43 10.574 -2.855 -6.760 1.00 0.00 C ATOM 552 O GLY A 43 9.617 -2.420 -6.150 1.00 0.00 O ATOM 0 H GLY A 43 11.590 -0.840 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.741 -1.715 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.696 -2.461 -6.915 1.00 0.00 H new ATOM 556 N LYS A 44 10.632 -4.109 -7.121 1.00 0.00 N ATOM 557 CA LYS A 44 9.510 -5.030 -6.785 1.00 0.00 C ATOM 558 C LYS A 44 9.092 -4.780 -5.342 1.00 0.00 C ATOM 559 O LYS A 44 9.896 -4.851 -4.433 1.00 0.00 O ATOM 560 CB LYS A 44 9.976 -6.479 -6.930 1.00 0.00 C ATOM 561 CG LYS A 44 9.030 -7.226 -7.875 1.00 0.00 C ATOM 562 CD LYS A 44 9.821 -8.265 -8.672 1.00 0.00 C ATOM 563 CE LYS A 44 10.485 -7.590 -9.875 1.00 0.00 C ATOM 564 NZ LYS A 44 9.760 -7.967 -11.120 1.00 0.00 N ATOM 0 H LYS A 44 11.406 -4.534 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 44 8.670 -4.853 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.994 -6.508 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.993 -6.966 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.240 -7.714 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.546 -6.523 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.578 -8.727 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.158 -9.062 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.475 -6.507 -9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.530 -7.893 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.211 -7.508 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.792 -8.999 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.770 -7.657 -11.052 1.00 0.00 H new ATOM 578 N LEU A 45 7.848 -4.476 -5.112 1.00 0.00 N ATOM 579 CA LEU A 45 7.414 -4.214 -3.726 1.00 0.00 C ATOM 580 C LEU A 45 6.722 -5.456 -3.178 1.00 0.00 C ATOM 581 O LEU A 45 5.517 -5.524 -3.094 1.00 0.00 O ATOM 582 CB LEU A 45 6.485 -3.012 -3.742 1.00 0.00 C ATOM 583 CG LEU A 45 7.186 -1.910 -4.536 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.314 -0.647 -4.594 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.532 -1.610 -3.857 1.00 0.00 C ATOM 0 H LEU A 45 7.121 -4.399 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 45 8.262 -3.993 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.531 -3.269 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.271 -2.678 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 45 7.353 -2.239 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.830 0.126 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.366 -0.881 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.126 -0.288 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.050 -0.825 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.357 -1.280 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.144 -2.512 -3.848 1.00 0.00 H new ATOM 597 N GLU A 46 7.497 -6.446 -2.815 1.00 0.00 N ATOM 598 CA GLU A 46 6.911 -7.715 -2.287 1.00 0.00 C ATOM 599 C GLU A 46 6.040 -7.415 -1.075 1.00 0.00 C ATOM 600 O GLU A 46 6.474 -7.504 0.054 1.00 0.00 O ATOM 601 CB GLU A 46 8.034 -8.671 -1.892 1.00 0.00 C ATOM 602 CG GLU A 46 8.222 -9.700 -3.005 1.00 0.00 C ATOM 603 CD GLU A 46 7.995 -11.107 -2.447 1.00 0.00 C ATOM 604 OE1 GLU A 46 6.844 -11.483 -2.296 1.00 0.00 O ATOM 605 OE2 GLU A 46 8.974 -11.786 -2.184 1.00 0.00 O ATOM 0 H GLU A 46 8.516 -6.430 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 46 6.298 -8.178 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.959 -8.119 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.791 -9.170 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.523 -9.503 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.226 -9.621 -3.422 1.00 0.00 H new ATOM 612 N ALA A 47 4.809 -7.064 -1.299 1.00 0.00 N ATOM 613 CA ALA A 47 3.910 -6.749 -0.161 1.00 0.00 C ATOM 614 C ALA A 47 4.102 -7.769 0.952 1.00 0.00 C ATOM 615 O ALA A 47 4.165 -8.962 0.731 1.00 0.00 O ATOM 616 CB ALA A 47 2.464 -6.748 -0.633 1.00 0.00 C ATOM 0 H ALA A 47 4.386 -6.981 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 47 4.155 -5.760 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.808 -6.516 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.336 -5.997 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.211 -7.730 -1.031 1.00 0.00 H new ATOM 622 N VAL A 48 4.218 -7.287 2.149 1.00 0.00 N ATOM 623 CA VAL A 48 4.429 -8.177 3.311 1.00 0.00 C ATOM 624 C VAL A 48 3.200 -8.108 4.201 1.00 0.00 C ATOM 625 O VAL A 48 2.733 -9.099 4.726 1.00 0.00 O ATOM 626 CB VAL A 48 5.669 -7.668 4.057 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.503 -7.793 5.577 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.889 -8.470 3.607 1.00 0.00 C ATOM 0 H VAL A 48 4.175 -6.293 2.375 1.00 0.00 H new ATOM 0 HA VAL A 48 4.581 -9.213 3.008 1.00 0.00 H new ATOM 0 HB VAL A 48 5.802 -6.612 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.401 -7.423 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.643 -7.206 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.348 -8.839 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.774 -8.113 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.734 -9.525 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.031 -8.345 2.534 1.00 0.00 H new ATOM 638 N GLN A 49 2.677 -6.937 4.375 1.00 0.00 N ATOM 639 CA GLN A 49 1.475 -6.794 5.235 1.00 0.00 C ATOM 640 C GLN A 49 0.601 -5.679 4.683 1.00 0.00 C ATOM 641 O GLN A 49 0.992 -4.961 3.785 1.00 0.00 O ATOM 642 CB GLN A 49 1.904 -6.451 6.662 1.00 0.00 C ATOM 643 CG GLN A 49 2.243 -7.739 7.418 1.00 0.00 C ATOM 644 CD GLN A 49 2.640 -7.399 8.858 1.00 0.00 C ATOM 645 OE1 GLN A 49 2.464 -8.202 9.752 1.00 0.00 O ATOM 646 NE2 GLN A 49 3.171 -6.235 9.122 1.00 0.00 N ATOM 0 H GLN A 49 3.026 -6.072 3.962 1.00 0.00 H new ATOM 0 HA GLN A 49 0.915 -7.729 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.770 -5.789 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.105 -5.916 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.385 -8.411 7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.059 -8.262 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.319 -5.560 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.437 -6.001 10.078 1.00 0.00 H new ATOM 655 N TYR A 50 -0.580 -5.522 5.202 1.00 0.00 N ATOM 656 CA TYR A 50 -1.452 -4.451 4.694 1.00 0.00 C ATOM 657 C TYR A 50 -2.638 -4.247 5.625 1.00 0.00 C ATOM 658 O TYR A 50 -3.208 -5.184 6.153 1.00 0.00 O ATOM 659 CB TYR A 50 -1.936 -4.811 3.302 1.00 0.00 C ATOM 660 CG TYR A 50 -3.266 -5.538 3.337 1.00 0.00 C ATOM 661 CD1 TYR A 50 -3.323 -6.892 3.688 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.438 -4.852 2.999 1.00 0.00 C ATOM 663 CE1 TYR A 50 -4.556 -7.557 3.705 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.669 -5.517 3.016 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.728 -6.869 3.368 1.00 0.00 C ATOM 666 OH TYR A 50 -6.942 -7.526 3.383 1.00 0.00 O ATOM 0 H TYR A 50 -0.972 -6.090 5.953 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.886 -3.521 4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.034 -3.904 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.192 -5.438 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.418 -7.423 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.392 -3.808 2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.603 -8.601 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.573 -4.986 2.757 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.654 -6.904 3.125 1.00 0.00 H new ATOM 676 N LYS A 51 -3.013 -3.029 5.810 1.00 0.00 N ATOM 677 CA LYS A 51 -4.182 -2.742 6.693 1.00 0.00 C ATOM 678 C LYS A 51 -5.268 -1.994 5.900 1.00 0.00 C ATOM 679 O LYS A 51 -5.014 -1.002 5.245 1.00 0.00 O ATOM 680 CB LYS A 51 -3.733 -1.908 7.895 1.00 0.00 C ATOM 681 CG LYS A 51 -3.404 -2.842 9.068 1.00 0.00 C ATOM 682 CD LYS A 51 -1.910 -2.760 9.391 1.00 0.00 C ATOM 683 CE LYS A 51 -1.717 -2.105 10.759 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.166 -3.044 11.826 1.00 0.00 N ATOM 0 H LYS A 51 -2.569 -2.211 5.394 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.598 -3.683 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.858 -1.313 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.519 -1.209 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.991 -2.563 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.676 -3.867 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.472 -3.758 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.393 -2.183 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.669 -1.845 10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.286 -1.177 10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.988 -2.620 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.184 -3.230 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.640 -3.938 11.746 1.00 0.00 H new ATOM 698 N THR A 52 -6.484 -2.473 5.952 1.00 0.00 N ATOM 699 CA THR A 52 -7.598 -1.807 5.209 1.00 0.00 C ATOM 700 C THR A 52 -7.975 -0.504 5.907 1.00 0.00 C ATOM 701 O THR A 52 -7.316 -0.056 6.824 1.00 0.00 O ATOM 702 CB THR A 52 -8.813 -2.737 5.184 1.00 0.00 C ATOM 703 OG1 THR A 52 -9.267 -2.960 6.513 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.422 -4.069 4.547 1.00 0.00 C ATOM 0 H THR A 52 -6.756 -3.302 6.480 1.00 0.00 H new ATOM 0 HA THR A 52 -7.276 -1.591 4.190 1.00 0.00 H new ATOM 0 HB THR A 52 -9.611 -2.277 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.046 -3.554 6.497 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.287 -4.732 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.075 -3.897 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.624 -4.530 5.129 1.00 0.00 H new ATOM 712 N GLN A 53 -9.034 0.106 5.467 1.00 0.00 N ATOM 713 CA GLN A 53 -9.477 1.388 6.079 1.00 0.00 C ATOM 714 C GLN A 53 -10.882 1.697 5.591 1.00 0.00 C ATOM 715 O GLN A 53 -11.133 1.709 4.409 1.00 0.00 O ATOM 716 CB GLN A 53 -8.562 2.511 5.607 1.00 0.00 C ATOM 717 CG GLN A 53 -7.880 3.189 6.792 1.00 0.00 C ATOM 718 CD GLN A 53 -8.900 3.448 7.904 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.768 4.287 7.766 1.00 0.00 O ATOM 720 NE2 GLN A 53 -8.829 2.757 9.008 1.00 0.00 N ATOM 0 H GLN A 53 -9.619 -0.230 4.702 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.449 1.306 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.809 2.111 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.140 3.245 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.073 2.560 7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.430 4.129 6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.100 2.053 9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.502 2.921 9.756 1.00 0.00 H new ATOM 729 N VAL A 54 -11.804 1.948 6.467 1.00 0.00 N ATOM 730 CA VAL A 54 -13.171 2.252 5.993 1.00 0.00 C ATOM 731 C VAL A 54 -13.483 3.744 6.189 1.00 0.00 C ATOM 732 O VAL A 54 -13.549 4.242 7.295 1.00 0.00 O ATOM 733 CB VAL A 54 -14.168 1.397 6.755 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.369 1.978 8.143 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.500 1.387 6.003 1.00 0.00 C ATOM 0 H VAL A 54 -11.673 1.956 7.478 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.244 2.026 4.929 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.792 0.378 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.084 1.367 8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.417 1.989 8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.750 2.996 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.220 0.774 6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.879 2.406 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.351 0.974 5.005 1.00 0.00 H new ATOM 745 N VAL A 55 -13.683 4.453 5.113 1.00 0.00 N ATOM 746 CA VAL A 55 -14.004 5.908 5.205 1.00 0.00 C ATOM 747 C VAL A 55 -15.131 6.197 4.209 1.00 0.00 C ATOM 748 O VAL A 55 -16.270 5.830 4.428 1.00 0.00 O ATOM 749 CB VAL A 55 -12.763 6.729 4.838 1.00 0.00 C ATOM 750 CG1 VAL A 55 -11.888 6.934 6.075 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.962 5.984 3.768 1.00 0.00 C ATOM 0 H VAL A 55 -13.638 4.084 4.163 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.311 6.174 6.216 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.076 7.701 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.008 7.518 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.456 7.465 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.575 5.965 6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.078 6.565 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.655 5.012 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.581 5.843 2.882 1.00 0.00 H new ATOM 761 N ALA A 56 -14.818 6.803 3.095 1.00 0.00 N ATOM 762 CA ALA A 56 -15.855 7.059 2.063 1.00 0.00 C ATOM 763 C ALA A 56 -15.693 5.965 1.010 1.00 0.00 C ATOM 764 O ALA A 56 -15.945 6.150 -0.164 1.00 0.00 O ATOM 765 CB ALA A 56 -15.610 8.427 1.434 1.00 0.00 C ATOM 0 H ALA A 56 -13.882 7.132 2.857 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.859 7.051 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.369 8.620 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.663 9.196 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.623 8.444 0.972 1.00 0.00 H new ATOM 771 N GLY A 57 -15.230 4.833 1.455 1.00 0.00 N ATOM 772 CA GLY A 57 -14.975 3.676 0.557 1.00 0.00 C ATOM 773 C GLY A 57 -14.057 2.728 1.317 1.00 0.00 C ATOM 774 O GLY A 57 -14.397 2.230 2.372 1.00 0.00 O ATOM 0 H GLY A 57 -15.011 4.657 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.908 3.180 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.510 4.003 -0.373 1.00 0.00 H new ATOM 778 N THR A 58 -12.879 2.515 0.823 1.00 0.00 N ATOM 779 CA THR A 58 -11.920 1.645 1.557 1.00 0.00 C ATOM 780 C THR A 58 -10.494 1.946 1.113 1.00 0.00 C ATOM 781 O THR A 58 -10.115 1.691 -0.013 1.00 0.00 O ATOM 782 CB THR A 58 -12.210 0.165 1.322 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.600 -0.080 1.490 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.404 -0.654 2.342 1.00 0.00 C ATOM 0 H THR A 58 -12.534 2.902 -0.055 1.00 0.00 H new ATOM 0 HA THR A 58 -12.035 1.857 2.620 1.00 0.00 H new ATOM 0 HB THR A 58 -11.925 -0.121 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.967 0.552 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.598 -1.716 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.340 -0.456 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.701 -0.371 3.352 1.00 0.00 H new ATOM 792 N ASN A 59 -9.695 2.478 1.995 1.00 0.00 N ATOM 793 CA ASN A 59 -8.301 2.787 1.644 1.00 0.00 C ATOM 794 C ASN A 59 -7.463 1.524 1.775 1.00 0.00 C ATOM 795 O ASN A 59 -7.963 0.447 2.031 1.00 0.00 O ATOM 796 CB ASN A 59 -7.787 3.822 2.633 1.00 0.00 C ATOM 797 CG ASN A 59 -8.313 5.213 2.275 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.068 5.710 1.195 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.030 5.868 3.150 1.00 0.00 N ATOM 0 H ASN A 59 -9.961 2.711 2.952 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.239 3.164 0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.101 3.557 3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.697 3.827 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.384 6.798 2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.235 5.449 4.057 1.00 0.00 H new ATOM 806 N TYR A 60 -6.187 1.666 1.632 1.00 0.00 N ATOM 807 CA TYR A 60 -5.282 0.492 1.781 1.00 0.00 C ATOM 808 C TYR A 60 -4.065 0.913 2.581 1.00 0.00 C ATOM 809 O TYR A 60 -3.644 2.044 2.541 1.00 0.00 O ATOM 810 CB TYR A 60 -4.777 -0.016 0.429 1.00 0.00 C ATOM 811 CG TYR A 60 -5.921 -0.463 -0.435 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.541 0.446 -1.291 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.338 -1.796 -0.402 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.586 0.028 -2.113 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.380 -2.219 -1.227 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.007 -1.309 -2.084 1.00 0.00 C ATOM 817 OH TYR A 60 -9.037 -1.730 -2.899 1.00 0.00 O ATOM 0 H TYR A 60 -5.721 2.547 1.417 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.848 -0.299 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.221 0.774 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.086 -0.845 0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.212 1.474 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.854 -2.498 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.071 0.733 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.703 -3.249 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.200 -2.685 -2.753 1.00 0.00 H new ATOM 827 N TYR A 61 -3.484 -0.017 3.268 1.00 0.00 N ATOM 828 CA TYR A 61 -2.253 0.249 4.054 1.00 0.00 C ATOM 829 C TYR A 61 -1.340 -0.902 3.695 1.00 0.00 C ATOM 830 O TYR A 61 -1.798 -2.010 3.527 1.00 0.00 O ATOM 831 CB TYR A 61 -2.565 0.261 5.567 1.00 0.00 C ATOM 832 CG TYR A 61 -3.376 1.492 5.926 1.00 0.00 C ATOM 833 CD1 TYR A 61 -4.605 1.740 5.301 1.00 0.00 C ATOM 834 CD2 TYR A 61 -2.894 2.391 6.886 1.00 0.00 C ATOM 835 CE1 TYR A 61 -5.343 2.883 5.630 1.00 0.00 C ATOM 836 CE2 TYR A 61 -3.634 3.533 7.215 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.856 3.781 6.585 1.00 0.00 C ATOM 838 OH TYR A 61 -5.583 4.908 6.911 1.00 0.00 O ATOM 0 H TYR A 61 -3.818 -0.979 3.321 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.808 1.219 3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.117 -0.639 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.636 0.250 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.984 1.048 4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.949 2.203 7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.290 3.072 5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.260 4.223 7.957 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.101 5.422 7.592 1.00 0.00 H new ATOM 848 N ILE A 62 -0.083 -0.687 3.478 1.00 0.00 N ATOM 849 CA ILE A 62 0.724 -1.845 3.042 1.00 0.00 C ATOM 850 C ILE A 62 2.203 -1.677 3.362 1.00 0.00 C ATOM 851 O ILE A 62 2.845 -0.737 2.938 1.00 0.00 O ATOM 852 CB ILE A 62 0.574 -2.006 1.528 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.896 -1.823 1.107 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.057 -3.405 1.148 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.018 -1.822 -0.420 1.00 0.00 C ATOM 0 H ILE A 62 0.406 0.202 3.578 1.00 0.00 H new ATOM 0 HA ILE A 62 0.361 -2.721 3.580 1.00 0.00 H new ATOM 0 HB ILE A 62 1.166 -1.248 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.504 -2.625 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.282 -0.887 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.960 -3.544 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.102 -3.520 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.454 -4.151 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.063 -1.692 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.427 -1.004 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.651 -2.769 -0.815 1.00 0.00 H new ATOM 867 N LYS A 63 2.762 -2.628 4.055 1.00 0.00 N ATOM 868 CA LYS A 63 4.210 -2.579 4.347 1.00 0.00 C ATOM 869 C LYS A 63 4.853 -3.577 3.386 1.00 0.00 C ATOM 870 O LYS A 63 4.926 -4.757 3.665 1.00 0.00 O ATOM 871 CB LYS A 63 4.469 -2.997 5.797 1.00 0.00 C ATOM 872 CG LYS A 63 5.972 -3.189 6.017 1.00 0.00 C ATOM 873 CD LYS A 63 6.488 -2.116 6.978 1.00 0.00 C ATOM 874 CE LYS A 63 7.586 -1.299 6.294 1.00 0.00 C ATOM 875 NZ LYS A 63 7.023 -0.615 5.095 1.00 0.00 N ATOM 0 H LYS A 63 2.271 -3.439 4.431 1.00 0.00 H new ATOM 0 HA LYS A 63 4.617 -1.576 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.086 -2.238 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.938 -3.922 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.167 -4.181 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.501 -3.125 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.670 -1.462 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.878 -2.581 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.993 -0.563 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.410 -1.950 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.796 -0.200 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.507 -1.305 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.373 0.138 5.398 1.00 0.00 H new ATOM 889 N VAL A 64 5.248 -3.128 2.227 1.00 0.00 N ATOM 890 CA VAL A 64 5.801 -4.046 1.220 1.00 0.00 C ATOM 891 C VAL A 64 7.328 -4.037 1.252 1.00 0.00 C ATOM 892 O VAL A 64 7.944 -3.101 1.704 1.00 0.00 O ATOM 893 CB VAL A 64 5.335 -3.530 -0.131 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.830 -3.266 -0.094 1.00 0.00 C ATOM 895 CG2 VAL A 64 6.069 -2.228 -0.463 1.00 0.00 C ATOM 0 H VAL A 64 5.206 -2.150 1.941 1.00 0.00 H new ATOM 0 HA VAL A 64 5.468 -5.066 1.413 1.00 0.00 H new ATOM 0 HB VAL A 64 5.552 -4.278 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.501 -2.896 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.304 -4.192 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.610 -2.521 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.734 -1.859 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.854 -1.483 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.142 -2.414 -0.497 1.00 0.00 H new ATOM 905 N ARG A 65 7.941 -5.056 0.731 1.00 0.00 N ATOM 906 CA ARG A 65 9.424 -5.077 0.682 1.00 0.00 C ATOM 907 C ARG A 65 9.843 -4.273 -0.535 1.00 0.00 C ATOM 908 O ARG A 65 9.355 -4.492 -1.621 1.00 0.00 O ATOM 909 CB ARG A 65 9.941 -6.514 0.554 1.00 0.00 C ATOM 910 CG ARG A 65 8.955 -7.485 1.208 1.00 0.00 C ATOM 911 CD ARG A 65 9.718 -8.455 2.113 1.00 0.00 C ATOM 912 NE ARG A 65 9.520 -9.848 1.625 1.00 0.00 N ATOM 913 CZ ARG A 65 9.656 -10.854 2.446 1.00 0.00 C ATOM 914 NH1 ARG A 65 10.842 -11.340 2.690 1.00 0.00 N ATOM 915 NH2 ARG A 65 8.607 -11.370 3.026 1.00 0.00 N ATOM 0 H ARG A 65 7.480 -5.876 0.337 1.00 0.00 H new ATOM 0 HA ARG A 65 9.838 -4.654 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.073 -6.770 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.919 -6.601 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.216 -6.933 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.410 -8.037 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.779 -8.207 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.365 -8.364 3.140 1.00 0.00 H new ATOM 0 HE ARG A 65 9.278 -10.016 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.662 -10.934 2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.949 -12.126 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.680 -10.987 2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.714 -12.156 3.667 1.00 0.00 H new ATOM 929 N ALA A 66 10.734 -3.340 -0.355 1.00 0.00 N ATOM 930 CA ALA A 66 11.192 -2.490 -1.490 1.00 0.00 C ATOM 931 C ALA A 66 12.295 -3.212 -2.248 1.00 0.00 C ATOM 932 O ALA A 66 13.318 -2.651 -2.585 1.00 0.00 O ATOM 933 CB ALA A 66 11.734 -1.179 -0.941 1.00 0.00 C ATOM 0 H ALA A 66 11.171 -3.127 0.542 1.00 0.00 H new ATOM 0 HA ALA A 66 10.357 -2.292 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.071 -0.551 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.948 -0.663 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.572 -1.383 -0.274 1.00 0.00 H new ATOM 939 N GLY A 67 12.079 -4.456 -2.508 1.00 0.00 N ATOM 940 CA GLY A 67 13.093 -5.267 -3.241 1.00 0.00 C ATOM 941 C GLY A 67 14.107 -5.836 -2.246 1.00 0.00 C ATOM 942 O GLY A 67 13.878 -6.860 -1.632 1.00 0.00 O ATOM 0 H GLY A 67 11.234 -4.962 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.604 -6.077 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.601 -4.650 -3.982 1.00 0.00 H new ATOM 946 N ASP A 68 15.226 -5.184 -2.090 1.00 0.00 N ATOM 947 CA ASP A 68 16.258 -5.676 -1.146 1.00 0.00 C ATOM 948 C ASP A 68 15.668 -5.764 0.268 1.00 0.00 C ATOM 949 O ASP A 68 14.500 -6.044 0.446 1.00 0.00 O ATOM 950 CB ASP A 68 17.448 -4.714 -1.149 1.00 0.00 C ATOM 951 CG ASP A 68 17.015 -3.359 -0.588 1.00 0.00 C ATOM 952 OD1 ASP A 68 16.201 -2.710 -1.223 1.00 0.00 O ATOM 953 OD2 ASP A 68 17.502 -2.996 0.470 1.00 0.00 O ATOM 0 H ASP A 68 15.468 -4.324 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 68 16.590 -6.667 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.261 -5.124 -0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.829 -4.594 -2.163 1.00 0.00 H new ATOM 958 N ASN A 92 16.464 -5.523 1.274 1.00 0.00 N ATOM 959 CA ASN A 92 15.939 -5.592 2.668 1.00 0.00 C ATOM 960 C ASN A 92 15.186 -4.302 2.995 1.00 0.00 C ATOM 961 O ASN A 92 14.681 -4.127 4.086 1.00 0.00 O ATOM 962 CB ASN A 92 17.103 -5.763 3.646 1.00 0.00 C ATOM 963 CG ASN A 92 17.458 -7.246 3.759 1.00 0.00 C ATOM 964 OD1 ASN A 92 18.584 -7.634 3.523 1.00 0.00 O ATOM 965 ND2 ASN A 92 16.535 -8.098 4.113 1.00 0.00 N ATOM 0 H ASN A 92 17.452 -5.282 1.192 1.00 0.00 H new ATOM 0 HA ASN A 92 15.262 -6.441 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.968 -5.196 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.831 -5.367 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 92 16.760 -9.090 4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.589 -7.772 4.311 1.00 0.00 H new ATOM 972 N LYS A 93 15.105 -3.398 2.059 1.00 0.00 N ATOM 973 CA LYS A 93 14.384 -2.123 2.317 1.00 0.00 C ATOM 974 C LYS A 93 12.879 -2.394 2.356 1.00 0.00 C ATOM 975 O LYS A 93 12.433 -3.497 2.111 1.00 0.00 O ATOM 976 CB LYS A 93 14.696 -1.131 1.194 1.00 0.00 C ATOM 977 CG LYS A 93 16.053 -0.476 1.455 1.00 0.00 C ATOM 978 CD LYS A 93 15.879 1.041 1.543 1.00 0.00 C ATOM 979 CE LYS A 93 16.788 1.721 0.520 1.00 0.00 C ATOM 980 NZ LYS A 93 18.169 1.173 0.638 1.00 0.00 N ATOM 0 H LYS A 93 15.508 -3.488 1.126 1.00 0.00 H new ATOM 0 HA LYS A 93 14.704 -1.705 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.707 -1.645 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.917 -0.370 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.481 -0.858 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.750 -0.727 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.839 1.309 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.122 1.387 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.405 1.557 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.798 2.798 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.858 1.914 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.332 0.849 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.282 0.372 -0.016 1.00 0.00 H new ATOM 994 N TYR A 94 12.093 -1.397 2.658 1.00 0.00 N ATOM 995 CA TYR A 94 10.619 -1.600 2.706 1.00 0.00 C ATOM 996 C TYR A 94 9.929 -0.293 2.340 1.00 0.00 C ATOM 997 O TYR A 94 10.553 0.746 2.259 1.00 0.00 O ATOM 998 CB TYR A 94 10.200 -2.023 4.111 1.00 0.00 C ATOM 999 CG TYR A 94 10.337 -3.519 4.237 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.591 -4.080 4.502 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.217 -4.345 4.086 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.727 -5.466 4.616 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.353 -5.734 4.200 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.609 -6.295 4.466 1.00 0.00 C ATOM 1005 OH TYR A 94 10.745 -7.662 4.579 1.00 0.00 O ATOM 0 H TYR A 94 12.409 -0.451 2.873 1.00 0.00 H new ATOM 0 HA TYR A 94 10.334 -2.381 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.822 -1.524 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.170 -1.722 4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.454 -3.442 4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.249 -3.911 3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.696 -5.898 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.490 -6.373 4.083 1.00 0.00 H new ATOM 0 HH TYR A 94 10.070 -8.008 5.200 1.00 0.00 H new ATOM 1015 N MET A 95 8.648 -0.328 2.117 1.00 0.00 N ATOM 1016 CA MET A 95 7.940 0.920 1.757 1.00 0.00 C ATOM 1017 C MET A 95 6.487 0.833 2.213 1.00 0.00 C ATOM 1018 O MET A 95 5.703 0.058 1.694 1.00 0.00 O ATOM 1019 CB MET A 95 7.989 1.122 0.241 1.00 0.00 C ATOM 1020 CG MET A 95 8.655 2.462 -0.073 1.00 0.00 C ATOM 1021 SD MET A 95 7.510 3.503 -1.014 1.00 0.00 S ATOM 1022 CE MET A 95 7.104 2.297 -2.301 1.00 0.00 C ATOM 0 H MET A 95 8.066 -1.164 2.169 1.00 0.00 H new ATOM 0 HA MET A 95 8.425 1.763 2.249 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.544 0.309 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.981 1.099 -0.173 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.942 2.963 0.852 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.569 2.300 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.907 2.817 -3.238 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.942 1.612 -2.435 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.219 1.734 -2.006 1.00 0.00 H new ATOM 1032 N HIS A 96 6.121 1.636 3.169 1.00 0.00 N ATOM 1033 CA HIS A 96 4.715 1.628 3.642 1.00 0.00 C ATOM 1034 C HIS A 96 3.878 2.278 2.553 1.00 0.00 C ATOM 1035 O HIS A 96 4.375 3.082 1.788 1.00 0.00 O ATOM 1036 CB HIS A 96 4.606 2.439 4.928 1.00 0.00 C ATOM 1037 CG HIS A 96 4.356 1.525 6.092 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.504 1.943 7.406 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.002 0.204 6.156 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.253 0.890 8.198 1.00 0.00 C ATOM 1041 NE2 HIS A 96 3.947 -0.199 7.488 1.00 0.00 N ATOM 0 H HIS A 96 6.736 2.297 3.643 1.00 0.00 H new ATOM 0 HA HIS A 96 4.373 0.613 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.524 3.005 5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.796 3.163 4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.797 -0.428 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.293 0.919 9.277 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.721 -1.127 7.845 1.00 0.00 H new ATOM 1049 N LEU A 97 2.634 1.938 2.438 1.00 0.00 N ATOM 1050 CA LEU A 97 1.836 2.551 1.349 1.00 0.00 C ATOM 1051 C LEU A 97 0.383 2.744 1.759 1.00 0.00 C ATOM 1052 O LEU A 97 -0.135 2.083 2.636 1.00 0.00 O ATOM 1053 CB LEU A 97 1.891 1.631 0.141 1.00 0.00 C ATOM 1054 CG LEU A 97 2.552 2.370 -1.012 1.00 0.00 C ATOM 1055 CD1 LEU A 97 3.898 1.721 -1.334 1.00 0.00 C ATOM 1056 CD2 LEU A 97 1.636 2.284 -2.223 1.00 0.00 C ATOM 0 H LEU A 97 2.140 1.276 3.036 1.00 0.00 H new ATOM 0 HA LEU A 97 2.254 3.531 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.452 0.728 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.886 1.317 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 97 2.721 3.413 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.370 2.252 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.544 1.768 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.742 0.679 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.092 2.809 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.482 1.238 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.676 2.743 -1.987 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.276 3.644 1.088 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.706 3.906 1.369 1.00 0.00 C ATOM 1070 C LYS A 98 -2.395 4.152 0.025 1.00 0.00 C ATOM 1071 O LYS A 98 -2.086 5.100 -0.662 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.841 5.143 2.264 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.116 4.705 3.704 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.773 5.856 4.466 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.263 5.908 4.124 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.863 7.136 4.717 1.00 0.00 N ATOM 0 H LYS A 98 0.125 4.217 0.345 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.162 3.062 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.928 5.737 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.651 5.778 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.766 3.830 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.185 4.415 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.640 5.719 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.295 6.800 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.400 5.909 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.767 5.021 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.589 7.513 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.298 6.902 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.121 7.851 4.859 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.288 3.291 -0.387 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.937 3.481 -1.718 1.00 0.00 C ATOM 1092 C VAL A 99 -5.458 3.659 -1.552 1.00 0.00 C ATOM 1093 O VAL A 99 -6.012 3.388 -0.505 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.670 2.216 -2.564 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.796 2.003 -3.569 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.365 2.342 -3.344 1.00 0.00 C ATOM 0 H VAL A 99 -3.594 2.470 0.136 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.531 4.369 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.608 1.374 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.594 1.108 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.740 1.882 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.861 2.866 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.203 1.438 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.422 3.202 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.537 2.477 -2.648 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.148 4.069 -2.599 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.631 4.200 -2.503 1.00 0.00 C ATOM 1108 C PHE A 100 -8.269 3.486 -3.709 1.00 0.00 C ATOM 1109 O PHE A 100 -7.985 3.811 -4.849 1.00 0.00 O ATOM 1110 CB PHE A 100 -8.024 5.684 -2.526 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.347 5.913 -1.830 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.703 5.163 -0.705 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.219 6.896 -2.316 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -10.927 5.394 -0.067 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.442 7.128 -1.677 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.797 6.375 -0.553 1.00 0.00 C ATOM 0 H PHE A 100 -5.746 4.314 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.980 3.752 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.248 6.275 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.089 6.029 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.033 4.405 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.947 7.476 -3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.200 4.814 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.112 7.888 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.742 6.551 -0.061 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.133 2.527 -3.465 1.00 0.00 N ATOM 1127 CA LYS A 101 -9.815 1.799 -4.591 1.00 0.00 C ATOM 1128 C LYS A 101 -11.289 2.127 -4.544 1.00 0.00 C ATOM 1129 O LYS A 101 -12.137 1.433 -5.068 1.00 0.00 O ATOM 1130 CB LYS A 101 -9.644 0.297 -4.411 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.480 -0.457 -5.450 1.00 0.00 C ATOM 1132 CD LYS A 101 -9.802 -1.786 -5.792 1.00 0.00 C ATOM 1133 CE LYS A 101 -10.774 -2.941 -5.531 1.00 0.00 C ATOM 1134 NZ LYS A 101 -10.996 -3.696 -6.798 1.00 0.00 N ATOM 0 H LYS A 101 -9.398 2.214 -2.531 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.380 2.102 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.593 0.028 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.950 0.006 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.482 -0.638 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.591 0.148 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.490 -1.789 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.902 -1.912 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.371 -3.604 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.721 -2.556 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.656 -4.481 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.398 -3.059 -7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.090 -4.075 -7.140 1.00 0.00 H new ATOM 1148 N SER A 102 -11.573 3.181 -3.896 1.00 0.00 N ATOM 1149 CA SER A 102 -12.987 3.624 -3.748 1.00 0.00 C ATOM 1150 C SER A 102 -13.288 4.797 -4.679 1.00 0.00 C ATOM 1151 O SER A 102 -13.676 4.621 -5.816 1.00 0.00 O ATOM 1152 CB SER A 102 -13.244 4.038 -2.303 1.00 0.00 C ATOM 1153 OG SER A 102 -14.425 4.826 -2.247 1.00 0.00 O ATOM 0 H SER A 102 -10.885 3.783 -3.444 1.00 0.00 H new ATOM 0 HA SER A 102 -13.641 2.794 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.351 3.155 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.396 4.604 -1.918 1.00 0.00 H new ATOM 0 HG SER A 102 -15.205 4.260 -2.427 1.00 0.00 H new ATOM 1159 N LEU A 102A -13.129 5.998 -4.188 1.00 0.00 N ATOM 1160 CA LEU A 102A -13.420 7.199 -5.018 1.00 0.00 C ATOM 1161 C LEU A 102A -12.118 7.720 -5.646 1.00 0.00 C ATOM 1162 O LEU A 102A -11.276 8.257 -4.954 1.00 0.00 O ATOM 1163 CB LEU A 102A -14.026 8.281 -4.117 1.00 0.00 C ATOM 1164 CG LEU A 102A -14.910 7.631 -3.045 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -15.382 8.701 -2.058 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -16.127 6.981 -3.710 1.00 0.00 C ATOM 0 H LEU A 102A -12.808 6.197 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 102A -14.119 6.942 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -13.232 8.860 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -14.615 8.976 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 102A -14.337 6.871 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -16.010 8.241 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -14.517 9.165 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -15.955 9.460 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -16.755 6.519 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -16.700 7.741 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -15.793 6.220 -4.415 1.00 0.00 H new ATOM 1178 N PRO A 103 -11.989 7.545 -6.941 1.00 0.00 N ATOM 1179 CA PRO A 103 -10.797 7.987 -7.688 1.00 0.00 C ATOM 1180 C PRO A 103 -10.857 9.495 -7.955 1.00 0.00 C ATOM 1181 O PRO A 103 -11.876 10.024 -8.353 1.00 0.00 O ATOM 1182 CB PRO A 103 -10.884 7.204 -9.000 1.00 0.00 C ATOM 1183 CG PRO A 103 -12.371 6.811 -9.175 1.00 0.00 C ATOM 1184 CD PRO A 103 -13.014 6.889 -7.778 1.00 0.00 C ATOM 0 HA PRO A 103 -9.867 7.810 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.541 7.811 -9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -10.249 6.318 -8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.871 7.486 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -12.460 5.806 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.940 7.464 -7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -13.263 5.898 -7.399 1.00 0.00 H new ATOM 1192 N GLY A 104 -9.769 10.186 -7.749 1.00 0.00 N ATOM 1193 CA GLY A 104 -9.758 11.656 -8.002 1.00 0.00 C ATOM 1194 C GLY A 104 -9.548 11.903 -9.496 1.00 0.00 C ATOM 1195 O GLY A 104 -10.242 12.686 -10.113 1.00 0.00 O ATOM 0 H GLY A 104 -8.887 9.797 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.698 12.101 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -8.963 12.131 -7.427 1.00 0.00 H new ATOM 1199 N GLN A 105 -8.598 11.228 -10.085 1.00 0.00 N ATOM 1200 CA GLN A 105 -8.339 11.405 -11.543 1.00 0.00 C ATOM 1201 C GLN A 105 -7.347 10.335 -12.006 1.00 0.00 C ATOM 1202 O GLN A 105 -6.673 9.714 -11.207 1.00 0.00 O ATOM 1203 CB GLN A 105 -7.759 12.798 -11.811 1.00 0.00 C ATOM 1204 CG GLN A 105 -6.984 13.285 -10.586 1.00 0.00 C ATOM 1205 CD GLN A 105 -6.181 14.535 -10.955 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -5.004 14.450 -11.246 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -6.772 15.698 -10.957 1.00 0.00 N ATOM 0 H GLN A 105 -7.987 10.558 -9.617 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.275 11.305 -12.092 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.101 12.766 -12.679 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.562 13.497 -12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.673 13.509 -9.772 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.315 12.501 -10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.760 15.769 -10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.246 16.537 -11.203 1.00 0.00 H new ATOM 1216 N ASN A 105A -7.260 10.108 -13.289 1.00 0.00 N ATOM 1217 CA ASN A 105A -6.319 9.071 -13.807 1.00 0.00 C ATOM 1218 C ASN A 105A -6.931 7.682 -13.615 1.00 0.00 C ATOM 1219 O ASN A 105A -6.297 6.673 -13.856 1.00 0.00 O ATOM 1220 CB ASN A 105A -4.990 9.159 -13.055 1.00 0.00 C ATOM 1221 CG ASN A 105A -3.894 8.486 -13.882 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -2.690 8.988 -13.877 1.00 0.00 O flip ATOM 1223 ND2 ASN A 105A -4.135 7.492 -14.537 1.00 0.00 N flip ATOM 0 H ASN A 105A -7.801 10.596 -14.003 1.00 0.00 H new ATOM 0 HA ASN A 105A -6.141 9.243 -14.869 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -4.733 10.202 -12.870 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -5.077 8.674 -12.083 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -5.076 7.100 -14.541 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -3.396 7.050 -15.083 1.00 0.00 H new ATOM 1230 N GLU A 106 -8.163 7.629 -13.197 1.00 0.00 N ATOM 1231 CA GLU A 106 -8.843 6.316 -12.997 1.00 0.00 C ATOM 1232 C GLU A 106 -7.932 5.349 -12.234 1.00 0.00 C ATOM 1233 O GLU A 106 -6.840 5.691 -11.828 1.00 0.00 O ATOM 1234 CB GLU A 106 -9.188 5.718 -14.362 1.00 0.00 C ATOM 1235 CG GLU A 106 -9.857 6.783 -15.230 1.00 0.00 C ATOM 1236 CD GLU A 106 -11.374 6.709 -15.049 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -11.921 5.634 -15.231 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -11.963 7.727 -14.730 1.00 0.00 O ATOM 0 H GLU A 106 -8.735 8.446 -12.983 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.751 6.473 -12.415 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.285 5.351 -14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.853 4.863 -14.239 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.495 7.773 -14.953 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.597 6.630 -16.277 1.00 0.00 H new ATOM 1245 N ASP A 107 -8.383 4.139 -12.037 1.00 0.00 N ATOM 1246 CA ASP A 107 -7.556 3.140 -11.305 1.00 0.00 C ATOM 1247 C ASP A 107 -7.350 3.598 -9.860 1.00 0.00 C ATOM 1248 O ASP A 107 -7.547 4.752 -9.531 1.00 0.00 O ATOM 1249 CB ASP A 107 -6.193 3.008 -11.989 1.00 0.00 C ATOM 1250 CG ASP A 107 -5.971 1.559 -12.427 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -6.501 1.185 -13.461 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -5.275 0.848 -11.720 1.00 0.00 O ATOM 0 H ASP A 107 -9.292 3.800 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.068 2.177 -11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.144 3.670 -12.853 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.402 3.316 -11.306 1.00 0.00 H new ATOM 1257 N LEU A 108 -6.948 2.700 -8.999 1.00 0.00 N ATOM 1258 CA LEU A 108 -6.710 3.070 -7.580 1.00 0.00 C ATOM 1259 C LEU A 108 -5.793 4.263 -7.511 1.00 0.00 C ATOM 1260 O LEU A 108 -5.500 4.914 -8.493 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.052 1.908 -6.853 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.117 1.135 -6.091 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.074 0.502 -7.097 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.440 0.045 -5.257 1.00 0.00 C ATOM 0 H LEU A 108 -6.774 1.720 -9.223 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.665 3.310 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.549 1.254 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.290 2.276 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.671 1.800 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.844 -0.056 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.541 1.284 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.521 -0.174 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.196 -0.515 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.895 -0.632 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.745 0.504 -4.554 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.374 4.573 -6.339 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.515 5.753 -6.166 1.00 0.00 C ATOM 1278 C VAL A 109 -3.471 5.507 -5.091 1.00 0.00 C ATOM 1279 O VAL A 109 -3.602 4.627 -4.265 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.418 6.859 -5.688 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.061 6.378 -4.405 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.613 8.135 -5.433 1.00 0.00 C ATOM 0 H VAL A 109 -5.589 4.059 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.004 5.990 -7.099 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.173 7.094 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.727 7.150 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.633 5.471 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.287 6.166 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.281 8.924 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.856 7.942 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.127 8.449 -6.357 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.465 6.320 -5.072 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.433 6.218 -4.055 1.00 0.00 C ATOM 1294 C LEU A 110 -1.749 7.325 -3.048 1.00 0.00 C ATOM 1295 O LEU A 110 -1.271 8.437 -3.144 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.103 6.446 -4.757 1.00 0.00 C ATOM 1297 CG LEU A 110 0.931 6.917 -3.770 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.058 5.885 -2.652 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.249 7.068 -4.511 1.00 0.00 C ATOM 0 H LEU A 110 -2.323 7.071 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.389 5.257 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.230 5.522 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.223 7.185 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 110 0.648 7.872 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.805 6.219 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.097 5.771 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.363 4.927 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.019 7.409 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.541 6.107 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.134 7.797 -5.313 1.00 0.00 H new ATOM 1311 N THR A 111 -2.624 7.046 -2.124 1.00 0.00 N ATOM 1312 CA THR A 111 -3.041 8.099 -1.150 1.00 0.00 C ATOM 1313 C THR A 111 -1.880 8.480 -0.236 1.00 0.00 C ATOM 1314 O THR A 111 -1.878 9.539 0.360 1.00 0.00 O ATOM 1315 CB THR A 111 -4.203 7.578 -0.305 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.835 6.346 0.296 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.426 7.367 -1.198 1.00 0.00 C ATOM 0 H THR A 111 -3.069 6.137 -1.999 1.00 0.00 H new ATOM 0 HA THR A 111 -3.352 8.984 -1.706 1.00 0.00 H new ATOM 0 HB THR A 111 -4.443 8.303 0.473 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.875 6.195 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.256 6.995 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.707 8.314 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.188 6.641 -1.976 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.886 7.649 -0.121 1.00 0.00 N ATOM 1326 CA GLY A 112 0.263 8.014 0.757 1.00 0.00 C ATOM 1327 C GLY A 112 1.292 6.891 0.781 1.00 0.00 C ATOM 1328 O GLY A 112 1.232 5.958 0.006 1.00 0.00 O ATOM 0 H GLY A 112 -0.816 6.745 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.726 8.933 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.092 8.212 1.768 1.00 0.00 H new ATOM 1332 N TYR A 113 2.252 6.987 1.656 1.00 0.00 N ATOM 1333 CA TYR A 113 3.300 5.953 1.724 1.00 0.00 C ATOM 1334 C TYR A 113 4.390 6.396 2.694 1.00 0.00 C ATOM 1335 O TYR A 113 4.872 7.508 2.629 1.00 0.00 O ATOM 1336 CB TYR A 113 3.928 5.815 0.350 1.00 0.00 C ATOM 1337 CG TYR A 113 4.302 7.192 -0.149 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.559 7.728 0.157 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.389 7.939 -0.904 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.903 9.008 -0.293 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.732 9.219 -1.352 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.989 9.754 -1.048 1.00 0.00 C ATOM 1343 OH TYR A 113 5.327 11.016 -1.492 1.00 0.00 O ATOM 0 H TYR A 113 2.350 7.747 2.329 1.00 0.00 H new ATOM 0 HA TYR A 113 2.863 5.011 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.811 5.178 0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.230 5.339 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.263 7.154 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.419 7.526 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.873 9.420 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.026 9.795 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 113 4.580 11.394 -2.001 1.00 0.00 H new ATOM 1353 N GLN A 114 4.827 5.525 3.552 1.00 0.00 N ATOM 1354 CA GLN A 114 5.936 5.903 4.468 1.00 0.00 C ATOM 1355 C GLN A 114 7.202 5.373 3.817 1.00 0.00 C ATOM 1356 O GLN A 114 7.459 4.188 3.813 1.00 0.00 O ATOM 1357 CB GLN A 114 5.762 5.284 5.862 1.00 0.00 C ATOM 1358 CG GLN A 114 4.274 5.137 6.196 1.00 0.00 C ATOM 1359 CD GLN A 114 3.766 6.454 6.782 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.637 7.436 6.077 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.472 6.516 8.050 1.00 0.00 N ATOM 0 H GLN A 114 4.470 4.576 3.661 1.00 0.00 H new ATOM 0 HA GLN A 114 5.963 6.983 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.248 4.309 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.249 5.910 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.710 4.881 5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.126 4.325 6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.581 5.691 8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.133 7.390 8.453 1.00 0.00 H new ATOM 1370 N VAL A 115 7.967 6.226 3.212 1.00 0.00 N ATOM 1371 CA VAL A 115 9.167 5.748 2.508 1.00 0.00 C ATOM 1372 C VAL A 115 10.189 5.193 3.486 1.00 0.00 C ATOM 1373 O VAL A 115 10.239 5.553 4.646 1.00 0.00 O ATOM 1374 CB VAL A 115 9.754 6.902 1.719 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.616 7.764 2.625 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.592 6.355 0.576 1.00 0.00 C ATOM 0 H VAL A 115 7.810 7.233 3.177 1.00 0.00 H new ATOM 0 HA VAL A 115 8.893 4.938 1.832 1.00 0.00 H new ATOM 0 HB VAL A 115 8.946 7.513 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.034 8.591 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.007 8.159 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.426 7.162 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.015 7.183 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.398 5.741 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 115 9.965 5.749 -0.077 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.005 4.316 2.997 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.059 3.699 3.848 1.00 0.00 C ATOM 1388 C ASP A 115A 11.476 3.228 5.190 1.00 0.00 C ATOM 1389 O ASP A 115A 12.155 3.250 6.198 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.156 4.731 4.112 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.470 4.014 4.420 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.412 2.896 4.905 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.513 4.594 4.165 1.00 0.00 O ATOM 0 H ASP A 115A 10.991 3.992 2.030 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.467 2.835 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.278 5.378 3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.874 5.371 4.948 1.00 0.00 H new ATOM 1398 N LYS A 116 10.241 2.788 5.230 1.00 0.00 N ATOM 1399 CA LYS A 116 9.682 2.314 6.526 1.00 0.00 C ATOM 1400 C LYS A 116 10.224 0.911 6.803 1.00 0.00 C ATOM 1401 O LYS A 116 10.732 0.251 5.920 1.00 0.00 O ATOM 1402 CB LYS A 116 8.148 2.288 6.464 1.00 0.00 C ATOM 1403 CG LYS A 116 7.581 2.699 7.816 1.00 0.00 C ATOM 1404 CD LYS A 116 8.163 4.047 8.245 1.00 0.00 C ATOM 1405 CE LYS A 116 7.072 4.876 8.927 1.00 0.00 C ATOM 1406 NZ LYS A 116 7.625 6.203 9.321 1.00 0.00 N ATOM 0 H LYS A 116 9.608 2.738 4.432 1.00 0.00 H new ATOM 0 HA LYS A 116 9.978 2.991 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.793 2.965 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.800 1.289 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.495 2.766 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.814 1.940 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.999 3.894 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.552 4.580 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.227 5.009 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.698 4.351 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.882 6.765 9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.418 6.067 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.961 6.704 8.474 1.00 0.00 H new ATOM 1420 N ASN A 117 10.145 0.453 8.021 1.00 0.00 N ATOM 1421 CA ASN A 117 10.683 -0.903 8.338 1.00 0.00 C ATOM 1422 C ASN A 117 9.529 -1.877 8.584 1.00 0.00 C ATOM 1423 O ASN A 117 8.415 -1.479 8.860 1.00 0.00 O ATOM 1424 CB ASN A 117 11.566 -0.838 9.594 1.00 0.00 C ATOM 1425 CG ASN A 117 11.960 0.614 9.891 1.00 0.00 C ATOM 1426 OD1 ASN A 117 12.482 1.299 9.035 1.00 0.00 O ATOM 1427 ND2 ASN A 117 11.729 1.111 11.075 1.00 0.00 N ATOM 0 H ASN A 117 9.734 0.954 8.808 1.00 0.00 H new ATOM 0 HA ASN A 117 11.279 -1.249 7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.031 -1.259 10.445 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.461 -1.443 9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 117 11.987 2.076 11.282 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.290 0.535 11.793 1.00 0.00 H new ATOM 1434 N LYS A 118 9.792 -3.154 8.492 1.00 0.00 N ATOM 1435 CA LYS A 118 8.714 -4.155 8.727 1.00 0.00 C ATOM 1436 C LYS A 118 8.097 -3.911 10.104 1.00 0.00 C ATOM 1437 O LYS A 118 6.894 -3.843 10.253 1.00 0.00 O ATOM 1438 CB LYS A 118 9.300 -5.566 8.674 1.00 0.00 C ATOM 1439 CG LYS A 118 8.172 -6.573 8.435 1.00 0.00 C ATOM 1440 CD LYS A 118 8.768 -7.963 8.216 1.00 0.00 C ATOM 1441 CE LYS A 118 9.590 -8.360 9.444 1.00 0.00 C ATOM 1442 NZ LYS A 118 11.039 -8.174 9.148 1.00 0.00 N ATOM 0 H LYS A 118 10.706 -3.545 8.264 1.00 0.00 H new ATOM 0 HA LYS A 118 7.949 -4.056 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 118 10.040 -5.635 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 118 9.815 -5.794 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.495 -6.586 9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.584 -6.277 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.973 -8.689 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.398 -7.965 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.301 -7.752 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.391 -9.399 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.522 -7.810 9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.458 -9.086 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.150 -7.496 8.367 1.00 0.00 H new ATOM 1456 N ASP A 119 8.915 -3.776 11.113 1.00 0.00 N ATOM 1457 CA ASP A 119 8.387 -3.536 12.474 1.00 0.00 C ATOM 1458 C ASP A 119 7.316 -2.446 12.411 1.00 0.00 C ATOM 1459 O ASP A 119 6.313 -2.510 13.095 1.00 0.00 O ATOM 1460 CB ASP A 119 9.515 -3.080 13.409 1.00 0.00 C ATOM 1461 CG ASP A 119 10.895 -3.420 12.837 1.00 0.00 C ATOM 1462 OD1 ASP A 119 11.407 -2.625 12.066 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.413 -4.470 13.178 1.00 0.00 O ATOM 0 H ASP A 119 9.932 -3.823 11.046 1.00 0.00 H new ATOM 0 HA ASP A 119 7.959 -4.462 12.858 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.442 -2.004 13.570 1.00 0.00 H new ATOM 0 HB3 ASP A 119 9.397 -3.557 14.382 1.00 0.00 H new ATOM 1468 N ASP A 120 7.520 -1.446 11.598 1.00 0.00 N ATOM 1469 CA ASP A 120 6.510 -0.358 11.499 1.00 0.00 C ATOM 1470 C ASP A 120 5.229 -0.911 10.899 1.00 0.00 C ATOM 1471 O ASP A 120 5.081 -0.981 9.698 1.00 0.00 O ATOM 1472 CB ASP A 120 7.018 0.762 10.588 1.00 0.00 C ATOM 1473 CG ASP A 120 6.653 2.118 11.195 1.00 0.00 C ATOM 1474 OD1 ASP A 120 5.489 2.311 11.509 1.00 0.00 O ATOM 1475 OD2 ASP A 120 7.542 2.941 11.338 1.00 0.00 O ATOM 0 H ASP A 120 8.339 -1.336 11.001 1.00 0.00 H new ATOM 0 HA ASP A 120 6.329 0.036 12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.098 0.685 10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.578 0.666 9.595 1.00 0.00 H new ATOM 1480 N GLU A 121 4.284 -1.275 11.709 1.00 0.00 N ATOM 1481 CA GLU A 121 3.014 -1.769 11.143 1.00 0.00 C ATOM 1482 C GLU A 121 2.258 -0.537 10.656 1.00 0.00 C ATOM 1483 O GLU A 121 2.659 0.577 10.926 1.00 0.00 O ATOM 1484 CB GLU A 121 2.214 -2.503 12.220 1.00 0.00 C ATOM 1485 CG GLU A 121 1.768 -3.865 11.682 1.00 0.00 C ATOM 1486 CD GLU A 121 2.564 -4.973 12.372 1.00 0.00 C ATOM 1487 OE1 GLU A 121 3.775 -4.987 12.223 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.950 -5.791 13.037 1.00 0.00 O ATOM 0 H GLU A 121 4.336 -1.252 12.727 1.00 0.00 H new ATOM 0 HA GLU A 121 3.182 -2.472 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.823 -2.635 13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.345 -1.912 12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.702 -4.006 11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.922 -3.910 10.604 1.00 0.00 H new ATOM 1495 N LEU A 122 1.183 -0.694 9.948 1.00 0.00 N ATOM 1496 CA LEU A 122 0.457 0.518 9.479 1.00 0.00 C ATOM 1497 C LEU A 122 -0.632 0.872 10.487 1.00 0.00 C ATOM 1498 O LEU A 122 -1.606 1.526 10.180 1.00 0.00 O ATOM 1499 CB LEU A 122 -0.089 0.251 8.085 1.00 0.00 C ATOM 1500 CG LEU A 122 1.089 -0.264 7.275 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.126 -1.782 7.319 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.011 0.184 5.826 1.00 0.00 C ATOM 0 H LEU A 122 0.778 -1.589 9.675 1.00 0.00 H new ATOM 0 HA LEU A 122 1.122 1.379 9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.895 -0.482 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.500 1.159 7.645 1.00 0.00 H new ATOM 0 HG LEU A 122 1.995 0.149 7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.973 -2.142 6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.229 -2.114 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.202 -2.181 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.870 -0.204 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.093 -0.195 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.013 1.273 5.781 1.00 0.00 H new ATOM 1514 N THR A 123 -0.402 0.454 11.705 1.00 0.00 N ATOM 1515 CA THR A 123 -1.306 0.730 12.861 1.00 0.00 C ATOM 1516 C THR A 123 -2.275 1.880 12.558 1.00 0.00 C ATOM 1517 O THR A 123 -3.478 1.714 12.588 1.00 0.00 O ATOM 1518 CB THR A 123 -0.415 1.104 14.062 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.952 2.245 14.718 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.017 1.419 13.573 1.00 0.00 C ATOM 0 H THR A 123 0.420 -0.096 11.955 1.00 0.00 H new ATOM 0 HA THR A 123 -1.909 -0.153 13.072 1.00 0.00 H new ATOM 0 HB THR A 123 -0.383 0.266 14.758 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.385 2.480 15.482 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.643 1.683 14.426 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.432 0.543 13.075 1.00 0.00 H new ATOM 0 HG23 THR A 123 0.987 2.254 12.873 1.00 0.00 H new ATOM 1528 N GLY A 124 -1.762 3.041 12.273 1.00 0.00 N ATOM 1529 CA GLY A 124 -2.650 4.199 11.971 1.00 0.00 C ATOM 1530 C GLY A 124 -1.927 5.131 11.003 1.00 0.00 C ATOM 1531 O GLY A 124 -1.973 6.338 11.125 1.00 0.00 O ATOM 0 H GLY A 124 -0.762 3.241 12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.587 3.853 11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -2.904 4.730 12.888 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.257 4.566 10.043 1.00 0.00 N ATOM 1536 CA PHE A 125 -0.515 5.390 9.053 1.00 0.00 C ATOM 1537 C PHE A 125 -1.411 5.630 7.828 1.00 0.00 C ATOM 1538 O PHE A 125 -2.059 6.663 7.790 1.00 0.00 O ATOM 1539 CB PHE A 125 0.785 4.646 8.680 1.00 0.00 C ATOM 1540 CG PHE A 125 1.066 4.726 7.196 1.00 0.00 C ATOM 1541 CD1 PHE A 125 1.049 5.961 6.539 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.329 3.553 6.480 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.299 6.023 5.164 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.573 3.615 5.105 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.558 4.849 4.448 1.00 0.00 C ATOM 1546 OXT PHE A 125 -1.435 4.780 6.954 1.00 0.00 O ATOM 0 H PHE A 125 -1.191 3.558 9.900 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.249 6.363 9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.621 5.074 9.233 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.706 3.601 8.980 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.843 6.865 7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.343 2.601 6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.292 6.976 4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.773 2.710 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.747 4.896 3.386 1.00 0.00 H new TER 1556 PHE A 125