USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 803 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 37 HIS : no HE2:sc= -2.49 X(o=-2.4,f=-2) USER MOD Set 1.2: A 84 THR OG1 : rot 175:sc= 0.0733 USER MOD Set 2.1: A 58 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.65) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 8:sc= 0.453 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00468 X(o=-0.0047,f=-0.029) USER MOD Single : A 15 GLN : amide:sc=-0.000634 X(o=-0.00063,f=-0.18) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -10! C(o=-10!,f=-11!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 107:sc= -0.192 USER MOD Single : A 43 TYR OH : rot 180:sc= -3.36! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 85:sc= 0.157 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 56:sc= 1.24 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0743) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -8.67! K(o=-8.7!,f=-2.8) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.27) USER MOD Single : A 73 ASN : amide:sc= -9.35! C(o=-9.4!,f=-6.3!) USER MOD Single : A 74 THR OG1 : rot 63:sc= 0.728 USER MOD Single : A 76 TYR OH : rot 120:sc= 0.907 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc=-0.00561 USER MOD Single : A 90 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.4!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00778 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -178:sc= 2.24 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -166:sc= 1.3 USER MOD Single : A 106 SER OG : rot 39:sc= 0.968 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.389 11.911 -22.062 1.00 0.00 N ATOM 2 CA GLY A 1 2.761 11.709 -21.632 1.00 0.00 C ATOM 3 C GLY A 1 2.853 11.217 -20.201 1.00 0.00 C ATOM 4 O GLY A 1 2.206 11.762 -19.307 1.00 0.00 O ATOM 0 H1 GLY A 1 1.380 12.247 -23.046 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.869 11.012 -21.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.934 12.618 -21.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.243 10.988 -22.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.310 12.646 -21.727 1.00 0.00 H new ATOM 8 N SER A 2 3.658 10.182 -19.983 1.00 0.00 N ATOM 9 CA SER A 2 3.828 9.613 -18.652 1.00 0.00 C ATOM 10 C SER A 2 5.031 10.232 -17.946 1.00 0.00 C ATOM 11 O SER A 2 6.010 10.615 -18.586 1.00 0.00 O ATOM 12 CB SER A 2 4.000 8.095 -18.741 1.00 0.00 C ATOM 13 OG SER A 2 3.629 7.468 -17.526 1.00 0.00 O ATOM 0 H SER A 2 4.203 9.721 -20.712 1.00 0.00 H new ATOM 0 HA SER A 2 2.933 9.837 -18.071 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.391 7.704 -19.556 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.038 7.856 -18.975 1.00 0.00 H new ATOM 0 HG SER A 2 3.746 6.499 -17.609 1.00 0.00 H new ATOM 19 N SER A 3 4.949 10.325 -16.623 1.00 0.00 N ATOM 20 CA SER A 3 6.028 10.901 -15.829 1.00 0.00 C ATOM 21 C SER A 3 6.505 9.917 -14.765 1.00 0.00 C ATOM 22 O SER A 3 5.853 9.731 -13.738 1.00 0.00 O ATOM 23 CB SER A 3 5.566 12.201 -15.167 1.00 0.00 C ATOM 24 OG SER A 3 5.242 13.180 -16.138 1.00 0.00 O ATOM 0 H SER A 3 4.147 10.009 -16.078 1.00 0.00 H new ATOM 0 HA SER A 3 6.861 11.118 -16.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.696 12.004 -14.540 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.352 12.579 -14.513 1.00 0.00 H new ATOM 0 HG SER A 3 4.948 14.000 -15.690 1.00 0.00 H new ATOM 30 N GLY A 4 7.648 9.287 -15.019 1.00 0.00 N ATOM 31 CA GLY A 4 8.194 8.330 -14.075 1.00 0.00 C ATOM 32 C GLY A 4 9.075 8.983 -13.030 1.00 0.00 C ATOM 33 O GLY A 4 10.298 9.009 -13.167 1.00 0.00 O ATOM 0 H GLY A 4 8.206 9.423 -15.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.376 7.806 -13.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.772 7.581 -14.616 1.00 0.00 H new ATOM 37 N SER A 5 8.453 9.515 -11.982 1.00 0.00 N ATOM 38 CA SER A 5 9.188 10.177 -10.912 1.00 0.00 C ATOM 39 C SER A 5 8.405 10.128 -9.603 1.00 0.00 C ATOM 40 O SER A 5 7.247 9.713 -9.576 1.00 0.00 O ATOM 41 CB SER A 5 9.482 11.631 -11.289 1.00 0.00 C ATOM 42 OG SER A 5 10.470 11.705 -12.303 1.00 0.00 O ATOM 0 H SER A 5 7.441 9.500 -11.852 1.00 0.00 H new ATOM 0 HA SER A 5 10.130 9.648 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.567 12.113 -11.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.819 12.178 -10.408 1.00 0.00 H new ATOM 0 HG SER A 5 10.664 10.804 -12.637 1.00 0.00 H new ATOM 48 N SER A 6 9.046 10.556 -8.520 1.00 0.00 N ATOM 49 CA SER A 6 8.412 10.558 -7.207 1.00 0.00 C ATOM 50 C SER A 6 7.872 11.943 -6.867 1.00 0.00 C ATOM 51 O SER A 6 8.059 12.897 -7.621 1.00 0.00 O ATOM 52 CB SER A 6 9.408 10.109 -6.136 1.00 0.00 C ATOM 53 OG SER A 6 10.365 11.120 -5.873 1.00 0.00 O ATOM 0 H SER A 6 10.004 10.906 -8.526 1.00 0.00 H new ATOM 0 HA SER A 6 7.577 9.858 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.874 9.862 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.914 9.201 -6.464 1.00 0.00 H new ATOM 0 HG SER A 6 10.989 10.809 -5.184 1.00 0.00 H new ATOM 59 N GLY A 7 7.201 12.045 -5.724 1.00 0.00 N ATOM 60 CA GLY A 7 6.643 13.317 -5.302 1.00 0.00 C ATOM 61 C GLY A 7 5.911 13.219 -3.978 1.00 0.00 C ATOM 62 O GLY A 7 5.610 12.129 -3.490 1.00 0.00 O ATOM 0 H GLY A 7 7.034 11.270 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.444 14.051 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.957 13.681 -6.067 1.00 0.00 H new ATOM 66 N PRO A 8 5.614 14.379 -3.374 1.00 0.00 N ATOM 67 CA PRO A 8 4.911 14.445 -2.090 1.00 0.00 C ATOM 68 C PRO A 8 3.451 14.020 -2.206 1.00 0.00 C ATOM 69 O PRO A 8 2.798 13.730 -1.203 1.00 0.00 O ATOM 70 CB PRO A 8 5.008 15.925 -1.708 1.00 0.00 C ATOM 71 CG PRO A 8 5.164 16.641 -3.005 1.00 0.00 C ATOM 72 CD PRO A 8 5.943 15.715 -3.898 1.00 0.00 C ATOM 0 HA PRO A 8 5.346 13.771 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.115 16.256 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.857 16.109 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.193 16.877 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.690 17.586 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.648 15.821 -4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.013 15.914 -3.847 1.00 0.00 H new ATOM 80 N ASP A 9 2.946 13.984 -3.434 1.00 0.00 N ATOM 81 CA ASP A 9 1.563 13.592 -3.681 1.00 0.00 C ATOM 82 C ASP A 9 1.241 12.272 -2.988 1.00 0.00 C ATOM 83 O ASP A 9 0.148 12.092 -2.452 1.00 0.00 O ATOM 84 CB ASP A 9 1.306 13.470 -5.183 1.00 0.00 C ATOM 85 CG ASP A 9 2.435 12.764 -5.909 1.00 0.00 C ATOM 86 OD1 ASP A 9 3.539 13.343 -5.993 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.215 11.634 -6.393 1.00 0.00 O ATOM 0 H ASP A 9 3.473 14.221 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 9 0.913 14.365 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.376 12.925 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.171 14.465 -5.607 1.00 0.00 H new ATOM 92 N ALA A 10 2.199 11.351 -3.004 1.00 0.00 N ATOM 93 CA ALA A 10 2.017 10.048 -2.376 1.00 0.00 C ATOM 94 C ALA A 10 2.220 10.133 -0.867 1.00 0.00 C ATOM 95 O ALA A 10 2.908 11.017 -0.358 1.00 0.00 O ATOM 96 CB ALA A 10 2.973 9.032 -2.983 1.00 0.00 C ATOM 0 H ALA A 10 3.109 11.483 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 10 0.993 9.723 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.826 8.064 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.778 8.942 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.000 9.361 -2.828 1.00 0.00 H new ATOM 102 N PRO A 11 1.608 9.191 -0.134 1.00 0.00 N ATOM 103 CA PRO A 11 1.707 9.138 1.328 1.00 0.00 C ATOM 104 C PRO A 11 3.101 8.739 1.801 1.00 0.00 C ATOM 105 O PRO A 11 4.021 8.591 0.996 1.00 0.00 O ATOM 106 CB PRO A 11 0.684 8.067 1.714 1.00 0.00 C ATOM 107 CG PRO A 11 0.570 7.200 0.508 1.00 0.00 C ATOM 108 CD PRO A 11 0.772 8.106 -0.674 1.00 0.00 C ATOM 0 HA PRO A 11 1.520 10.110 1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.016 7.497 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.276 8.512 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.318 6.408 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.406 6.716 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.267 7.589 -1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.176 8.483 -1.058 1.00 0.00 H new ATOM 116 N ARG A 12 3.250 8.565 3.110 1.00 0.00 N ATOM 117 CA ARG A 12 4.532 8.183 3.689 1.00 0.00 C ATOM 118 C ARG A 12 4.333 7.422 4.996 1.00 0.00 C ATOM 119 O ARG A 12 3.304 7.561 5.656 1.00 0.00 O ATOM 120 CB ARG A 12 5.394 9.423 3.934 1.00 0.00 C ATOM 121 CG ARG A 12 5.327 10.443 2.809 1.00 0.00 C ATOM 122 CD ARG A 12 6.085 11.713 3.164 1.00 0.00 C ATOM 123 NE ARG A 12 7.530 11.502 3.179 1.00 0.00 N ATOM 124 CZ ARG A 12 8.198 11.063 4.240 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.553 10.789 5.366 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.512 10.896 4.177 1.00 0.00 N ATOM 0 H ARG A 12 2.499 8.683 3.790 1.00 0.00 H new ATOM 0 HA ARG A 12 5.042 7.528 2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.077 9.898 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.430 9.114 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.744 10.011 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.286 10.686 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.840 12.494 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.760 12.067 4.142 1.00 0.00 H new ATOM 0 HE ARG A 12 8.055 11.703 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.542 10.915 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.068 10.452 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.012 11.105 3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.023 10.559 4.993 1.00 0.00 H new ATOM 140 N ASN A 13 5.326 6.619 5.364 1.00 0.00 N ATOM 141 CA ASN A 13 5.259 5.835 6.592 1.00 0.00 C ATOM 142 C ASN A 13 4.278 4.676 6.445 1.00 0.00 C ATOM 143 O ASN A 13 3.367 4.512 7.259 1.00 0.00 O ATOM 144 CB ASN A 13 4.845 6.723 7.767 1.00 0.00 C ATOM 145 CG ASN A 13 5.213 6.117 9.108 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.386 5.871 9.389 1.00 0.00 O ATOM 147 ND2 ASN A 13 4.210 5.874 9.943 1.00 0.00 N ATOM 0 H ASN A 13 6.186 6.494 4.830 1.00 0.00 H new ATOM 0 HA ASN A 13 6.250 5.426 6.787 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.323 7.698 7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.769 6.891 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.397 5.467 10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.253 6.094 9.668 1.00 0.00 H new ATOM 154 N LEU A 14 4.470 3.874 5.404 1.00 0.00 N ATOM 155 CA LEU A 14 3.602 2.729 5.150 1.00 0.00 C ATOM 156 C LEU A 14 3.994 1.544 6.027 1.00 0.00 C ATOM 157 O LEU A 14 5.114 1.041 5.942 1.00 0.00 O ATOM 158 CB LEU A 14 3.670 2.330 3.675 1.00 0.00 C ATOM 159 CG LEU A 14 2.670 1.266 3.220 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.247 1.794 3.316 1.00 0.00 C ATOM 161 CD2 LEU A 14 2.979 0.815 1.800 1.00 0.00 C ATOM 0 H LEU A 14 5.219 3.995 4.722 1.00 0.00 H new ATOM 0 HA LEU A 14 2.580 3.017 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.519 3.224 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.676 1.968 3.463 1.00 0.00 H new ATOM 0 HG LEU A 14 2.761 0.404 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.550 1.023 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.028 2.065 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.141 2.673 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.257 0.058 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.918 1.669 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.984 0.394 1.762 1.00 0.00 H new ATOM 173 N GLN A 15 3.063 1.102 6.866 1.00 0.00 N ATOM 174 CA GLN A 15 3.311 -0.025 7.758 1.00 0.00 C ATOM 175 C GLN A 15 2.133 -0.993 7.752 1.00 0.00 C ATOM 176 O GLN A 15 0.974 -0.576 7.721 1.00 0.00 O ATOM 177 CB GLN A 15 3.573 0.471 9.181 1.00 0.00 C ATOM 178 CG GLN A 15 5.039 0.750 9.468 1.00 0.00 C ATOM 179 CD GLN A 15 5.387 0.594 10.935 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.119 -0.444 11.542 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.987 1.627 11.515 1.00 0.00 N ATOM 0 H GLN A 15 2.130 1.507 6.947 1.00 0.00 H new ATOM 0 HA GLN A 15 4.194 -0.554 7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.998 1.382 9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.208 -0.273 9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.656 0.072 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.282 1.763 9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.190 2.468 10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.244 1.580 12.501 1.00 0.00 H new ATOM 190 N LEU A 16 2.436 -2.286 7.783 1.00 0.00 N ATOM 191 CA LEU A 16 1.401 -3.314 7.782 1.00 0.00 C ATOM 192 C LEU A 16 1.322 -4.009 9.137 1.00 0.00 C ATOM 193 O LEU A 16 2.344 -4.362 9.726 1.00 0.00 O ATOM 194 CB LEU A 16 1.678 -4.343 6.684 1.00 0.00 C ATOM 195 CG LEU A 16 1.622 -3.823 5.247 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.857 -4.956 4.260 1.00 0.00 C ATOM 197 CD2 LEU A 16 0.286 -3.146 4.977 1.00 0.00 C ATOM 0 H LEU A 16 3.389 -2.647 7.809 1.00 0.00 H new ATOM 0 HA LEU A 16 0.444 -2.831 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.666 -4.771 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.957 -5.154 6.784 1.00 0.00 H new ATOM 0 HG LEU A 16 2.414 -3.085 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.814 -4.567 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.838 -5.396 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.088 -5.718 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.264 -2.782 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.522 -3.863 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.158 -2.308 5.662 1.00 0.00 H new ATOM 209 N SER A 17 0.101 -4.204 9.626 1.00 0.00 N ATOM 210 CA SER A 17 -0.112 -4.855 10.913 1.00 0.00 C ATOM 211 C SER A 17 -1.056 -6.045 10.771 1.00 0.00 C ATOM 212 O SER A 17 -1.730 -6.199 9.751 1.00 0.00 O ATOM 213 CB SER A 17 -0.679 -3.858 11.926 1.00 0.00 C ATOM 214 OG SER A 17 -0.242 -2.540 11.643 1.00 0.00 O ATOM 0 H SER A 17 -0.755 -3.920 9.150 1.00 0.00 H new ATOM 0 HA SER A 17 0.851 -5.218 11.271 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.768 -3.895 11.907 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.368 -4.140 12.932 1.00 0.00 H new ATOM 0 HG SER A 17 -0.619 -1.922 12.303 1.00 0.00 H new ATOM 220 N LEU A 18 -1.099 -6.884 11.799 1.00 0.00 N ATOM 221 CA LEU A 18 -1.960 -8.062 11.790 1.00 0.00 C ATOM 222 C LEU A 18 -2.941 -8.028 12.958 1.00 0.00 C ATOM 223 O LEU A 18 -2.553 -8.037 14.127 1.00 0.00 O ATOM 224 CB LEU A 18 -1.116 -9.336 11.855 1.00 0.00 C ATOM 225 CG LEU A 18 -0.525 -9.817 10.529 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.563 -9.734 9.421 1.00 0.00 C ATOM 227 CD2 LEU A 18 0.709 -9.004 10.169 1.00 0.00 C ATOM 0 H LEU A 18 -0.548 -6.771 12.650 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.529 -8.058 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.298 -9.171 12.556 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.732 -10.136 12.267 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.228 -10.859 10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.125 -10.080 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.418 -10.361 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.892 -8.701 9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.116 -9.360 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.437 -7.953 10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.459 -9.116 10.952 1.00 0.00 H new ATOM 239 N PRO A 19 -4.243 -7.991 12.637 1.00 0.00 N ATOM 240 CA PRO A 19 -5.306 -7.958 13.646 1.00 0.00 C ATOM 241 C PRO A 19 -5.429 -9.277 14.401 1.00 0.00 C ATOM 242 O PRO A 19 -5.548 -10.342 13.795 1.00 0.00 O ATOM 243 CB PRO A 19 -6.569 -7.694 12.822 1.00 0.00 C ATOM 244 CG PRO A 19 -6.249 -8.213 11.462 1.00 0.00 C ATOM 245 CD PRO A 19 -4.777 -7.978 11.265 1.00 0.00 C ATOM 0 HA PRO A 19 -5.117 -7.208 14.413 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.433 -8.204 13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.808 -6.631 12.794 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.489 -9.273 11.382 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.832 -7.696 10.700 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.325 -8.756 10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.585 -7.027 10.768 1.00 0.00 H new ATOM 253 N ARG A 20 -5.400 -9.199 15.728 1.00 0.00 N ATOM 254 CA ARG A 20 -5.508 -10.388 16.565 1.00 0.00 C ATOM 255 C ARG A 20 -6.945 -10.902 16.596 1.00 0.00 C ATOM 256 O ARG A 20 -7.209 -12.002 17.081 1.00 0.00 O ATOM 257 CB ARG A 20 -5.035 -10.080 17.987 1.00 0.00 C ATOM 258 CG ARG A 20 -6.060 -9.332 18.822 1.00 0.00 C ATOM 259 CD ARG A 20 -5.568 -9.114 20.245 1.00 0.00 C ATOM 260 NE ARG A 20 -4.757 -7.905 20.364 1.00 0.00 N ATOM 261 CZ ARG A 20 -4.088 -7.575 21.463 1.00 0.00 C ATOM 262 NH1 ARG A 20 -4.133 -8.359 22.532 1.00 0.00 N ATOM 263 NH2 ARG A 20 -3.372 -6.459 21.495 1.00 0.00 N ATOM 0 H ARG A 20 -5.303 -8.326 16.246 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.872 -11.163 16.137 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.784 -11.015 18.488 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.120 -9.490 17.936 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.275 -8.369 18.359 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.995 -9.893 18.841 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.423 -9.045 20.918 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.982 -9.977 20.562 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.701 -7.280 19.560 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.682 -9.218 22.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.618 -8.103 23.374 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.335 -5.853 20.675 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.859 -6.206 22.339 1.00 0.00 H new ATOM 277 N GLU A 21 -7.867 -10.099 16.076 1.00 0.00 N ATOM 278 CA GLU A 21 -9.276 -10.473 16.046 1.00 0.00 C ATOM 279 C GLU A 21 -9.678 -10.969 14.660 1.00 0.00 C ATOM 280 O GLU A 21 -10.801 -11.428 14.455 1.00 0.00 O ATOM 281 CB GLU A 21 -10.151 -9.284 16.448 1.00 0.00 C ATOM 282 CG GLU A 21 -9.956 -8.844 17.889 1.00 0.00 C ATOM 283 CD GLU A 21 -11.152 -8.090 18.436 1.00 0.00 C ATOM 284 OE1 GLU A 21 -12.294 -8.456 18.087 1.00 0.00 O ATOM 285 OE2 GLU A 21 -10.947 -7.133 19.212 1.00 0.00 O ATOM 0 H GLU A 21 -7.664 -9.186 15.670 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.426 -11.283 16.760 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.933 -8.444 15.788 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.198 -9.546 16.296 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.768 -9.720 18.510 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.071 -8.211 17.955 1.00 0.00 H new ATOM 292 N ALA A 22 -8.751 -10.873 13.712 1.00 0.00 N ATOM 293 CA ALA A 22 -9.008 -11.312 12.346 1.00 0.00 C ATOM 294 C ALA A 22 -7.768 -11.957 11.736 1.00 0.00 C ATOM 295 O ALA A 22 -6.641 -11.583 12.057 1.00 0.00 O ATOM 296 CB ALA A 22 -9.470 -10.141 11.493 1.00 0.00 C ATOM 0 H ALA A 22 -7.816 -10.495 13.865 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.800 -12.061 12.374 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.658 -10.484 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.387 -9.726 11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.697 -9.373 11.480 1.00 0.00 H new ATOM 302 N GLU A 23 -7.985 -12.929 10.855 1.00 0.00 N ATOM 303 CA GLU A 23 -6.884 -13.627 10.201 1.00 0.00 C ATOM 304 C GLU A 23 -6.783 -13.228 8.731 1.00 0.00 C ATOM 305 O GLU A 23 -7.608 -12.468 8.225 1.00 0.00 O ATOM 306 CB GLU A 23 -7.069 -15.141 10.318 1.00 0.00 C ATOM 307 CG GLU A 23 -6.825 -15.677 11.718 1.00 0.00 C ATOM 308 CD GLU A 23 -5.524 -15.178 12.316 1.00 0.00 C ATOM 309 OE1 GLU A 23 -4.464 -15.388 11.691 1.00 0.00 O ATOM 310 OE2 GLU A 23 -5.567 -14.576 13.410 1.00 0.00 O ATOM 0 H GLU A 23 -8.912 -13.251 10.578 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.959 -13.342 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.082 -15.400 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.389 -15.636 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.653 -15.385 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.813 -16.767 11.689 1.00 0.00 H new ATOM 317 N GLY A 24 -5.765 -13.746 8.052 1.00 0.00 N ATOM 318 CA GLY A 24 -5.573 -13.432 6.648 1.00 0.00 C ATOM 319 C GLY A 24 -5.871 -11.980 6.332 1.00 0.00 C ATOM 320 O GLY A 24 -6.207 -11.640 5.198 1.00 0.00 O ATOM 0 H GLY A 24 -5.069 -14.378 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.545 -13.658 6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.217 -14.071 6.045 1.00 0.00 H new ATOM 324 N VAL A 25 -5.750 -11.120 7.339 1.00 0.00 N ATOM 325 CA VAL A 25 -6.009 -9.696 7.164 1.00 0.00 C ATOM 326 C VAL A 25 -4.765 -8.870 7.469 1.00 0.00 C ATOM 327 O VAL A 25 -3.935 -9.259 8.291 1.00 0.00 O ATOM 328 CB VAL A 25 -7.162 -9.220 8.067 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.341 -7.714 7.955 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.451 -9.946 7.712 1.00 0.00 C ATOM 0 H VAL A 25 -5.474 -11.385 8.285 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.291 -9.551 6.121 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.912 -9.456 9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.160 -7.396 8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.422 -7.215 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.569 -7.451 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.255 -9.597 8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.709 -9.743 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.314 -11.019 7.849 1.00 0.00 H new ATOM 340 N ILE A 26 -4.642 -7.727 6.802 1.00 0.00 N ATOM 341 CA ILE A 26 -3.500 -6.844 7.003 1.00 0.00 C ATOM 342 C ILE A 26 -3.942 -5.389 7.114 1.00 0.00 C ATOM 343 O ILE A 26 -4.498 -4.825 6.171 1.00 0.00 O ATOM 344 CB ILE A 26 -2.479 -6.973 5.857 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.887 -8.384 5.829 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.379 -5.934 6.007 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.701 -8.523 4.901 1.00 0.00 C ATOM 0 H ILE A 26 -5.320 -7.391 6.118 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.027 -7.149 7.936 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.992 -6.795 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.583 -8.662 6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.661 -9.088 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.666 -6.039 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.816 -4.936 5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.866 -6.082 6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.333 -9.549 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.004 -8.277 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.091 -7.844 5.218 1.00 0.00 H new ATOM 359 N VAL A 27 -3.690 -4.786 8.271 1.00 0.00 N ATOM 360 CA VAL A 27 -4.059 -3.395 8.504 1.00 0.00 C ATOM 361 C VAL A 27 -2.987 -2.446 7.980 1.00 0.00 C ATOM 362 O VAL A 27 -1.970 -2.220 8.634 1.00 0.00 O ATOM 363 CB VAL A 27 -4.286 -3.118 10.002 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.680 -1.666 10.224 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.343 -4.057 10.563 1.00 0.00 C ATOM 0 H VAL A 27 -3.232 -5.239 9.062 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.990 -3.220 7.964 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.351 -3.301 10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.836 -1.490 11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.886 -1.014 9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.601 -1.452 9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.491 -3.847 11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.282 -3.908 10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.015 -5.089 10.440 1.00 0.00 H new ATOM 375 N GLY A 28 -3.222 -1.893 6.794 1.00 0.00 N ATOM 376 CA GLY A 28 -2.268 -0.974 6.202 1.00 0.00 C ATOM 377 C GLY A 28 -2.436 0.444 6.710 1.00 0.00 C ATOM 378 O GLY A 28 -3.533 1.002 6.663 1.00 0.00 O ATOM 0 H GLY A 28 -4.056 -2.065 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.256 -1.317 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.383 -0.984 5.118 1.00 0.00 H new ATOM 382 N HIS A 29 -1.347 1.029 7.198 1.00 0.00 N ATOM 383 CA HIS A 29 -1.379 2.391 7.719 1.00 0.00 C ATOM 384 C HIS A 29 -0.304 3.250 7.059 1.00 0.00 C ATOM 385 O HIS A 29 0.749 2.749 6.664 1.00 0.00 O ATOM 386 CB HIS A 29 -1.183 2.385 9.235 1.00 0.00 C ATOM 387 CG HIS A 29 -2.419 2.017 9.997 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.889 2.747 11.068 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.285 0.988 9.836 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.989 2.183 11.534 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.251 1.114 10.803 1.00 0.00 N ATOM 0 H HIS A 29 -0.432 0.581 7.244 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.355 2.819 7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.388 1.683 9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.850 3.373 9.554 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.455 3.591 11.442 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.226 0.213 9.086 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.574 2.536 12.370 1.00 0.00 H new ATOM 399 N TRP A 30 -0.578 4.545 6.942 1.00 0.00 N ATOM 400 CA TRP A 30 0.366 5.473 6.329 1.00 0.00 C ATOM 401 C TRP A 30 0.070 6.908 6.751 1.00 0.00 C ATOM 402 O TRP A 30 -0.809 7.153 7.577 1.00 0.00 O ATOM 403 CB TRP A 30 0.312 5.355 4.805 1.00 0.00 C ATOM 404 CG TRP A 30 -1.067 5.533 4.244 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.610 6.687 3.757 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.076 4.526 4.114 1.00 0.00 C ATOM 407 NE1 TRP A 30 -2.897 6.458 3.333 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.206 5.140 3.540 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.134 3.164 4.425 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.378 4.438 3.273 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.298 2.470 4.160 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.408 3.107 3.587 1.00 0.00 C ATOM 0 H TRP A 30 -1.445 4.976 7.263 1.00 0.00 H new ATOM 0 HA TRP A 30 1.368 5.213 6.671 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.974 6.101 4.366 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.693 4.378 4.510 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.103 7.639 3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.521 7.157 2.929 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.284 2.664 4.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.234 4.927 2.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.354 1.418 4.398 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.303 2.536 3.390 1.00 0.00 H new ATOM 423 N ALA A 31 0.809 7.853 6.179 1.00 0.00 N ATOM 424 CA ALA A 31 0.623 9.263 6.495 1.00 0.00 C ATOM 425 C ALA A 31 0.224 10.056 5.255 1.00 0.00 C ATOM 426 O ALA A 31 0.486 9.654 4.121 1.00 0.00 O ATOM 427 CB ALA A 31 1.892 9.839 7.106 1.00 0.00 C ATOM 0 H ALA A 31 1.542 7.667 5.494 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.186 9.343 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.739 10.893 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.133 9.298 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.715 9.739 6.398 1.00 0.00 H new ATOM 433 N PRO A 32 -0.425 11.209 5.472 1.00 0.00 N ATOM 434 CA PRO A 32 -0.874 12.082 4.383 1.00 0.00 C ATOM 435 C PRO A 32 0.289 12.759 3.665 1.00 0.00 C ATOM 436 O PRO A 32 1.354 12.990 4.239 1.00 0.00 O ATOM 437 CB PRO A 32 -1.740 13.123 5.097 1.00 0.00 C ATOM 438 CG PRO A 32 -1.223 13.152 6.494 1.00 0.00 C ATOM 439 CD PRO A 32 -0.771 11.750 6.797 1.00 0.00 C ATOM 0 HA PRO A 32 -1.402 11.527 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.655 14.101 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.794 12.846 5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.398 13.858 6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.998 13.471 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.086 11.741 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.559 11.168 7.275 1.00 0.00 H new ATOM 447 N PRO A 33 0.083 13.085 2.381 1.00 0.00 N ATOM 448 CA PRO A 33 1.104 13.741 1.558 1.00 0.00 C ATOM 449 C PRO A 33 1.355 15.183 1.986 1.00 0.00 C ATOM 450 O PRO A 33 0.418 15.923 2.286 1.00 0.00 O ATOM 451 CB PRO A 33 0.505 13.698 0.150 1.00 0.00 C ATOM 452 CG PRO A 33 -0.967 13.626 0.366 1.00 0.00 C ATOM 453 CD PRO A 33 -1.161 12.840 1.633 1.00 0.00 C ATOM 0 HA PRO A 33 2.073 13.248 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.778 14.584 -0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.866 12.834 -0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.398 14.623 0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.462 13.140 -0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.036 13.180 2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.305 11.779 1.429 1.00 0.00 H new ATOM 461 N ILE A 34 2.624 15.575 2.011 1.00 0.00 N ATOM 462 CA ILE A 34 2.997 16.929 2.401 1.00 0.00 C ATOM 463 C ILE A 34 2.152 17.965 1.667 1.00 0.00 C ATOM 464 O ILE A 34 1.727 18.962 2.252 1.00 0.00 O ATOM 465 CB ILE A 34 4.486 17.206 2.120 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.366 16.250 2.929 1.00 0.00 C ATOM 467 CG2 ILE A 34 4.827 18.652 2.446 1.00 0.00 C ATOM 468 CD1 ILE A 34 6.786 16.156 2.416 1.00 0.00 C ATOM 0 H ILE A 34 3.411 14.974 1.766 1.00 0.00 H new ATOM 0 HA ILE A 34 2.817 17.009 3.473 1.00 0.00 H new ATOM 0 HB ILE A 34 4.678 17.038 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.385 16.578 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.917 15.257 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.883 18.832 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.220 19.316 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.623 18.845 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.352 15.461 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.778 15.799 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.253 17.140 2.455 1.00 0.00 H new ATOM 480 N HIS A 35 1.911 17.722 0.383 1.00 0.00 N ATOM 481 CA HIS A 35 1.114 18.633 -0.431 1.00 0.00 C ATOM 482 C HIS A 35 0.684 17.963 -1.733 1.00 0.00 C ATOM 483 O HIS A 35 1.389 17.104 -2.264 1.00 0.00 O ATOM 484 CB HIS A 35 1.906 19.904 -0.735 1.00 0.00 C ATOM 485 CG HIS A 35 1.043 21.105 -0.976 1.00 0.00 C ATOM 486 ND1 HIS A 35 0.765 21.591 -2.235 1.00 0.00 N ATOM 487 CD2 HIS A 35 0.394 21.916 -0.109 1.00 0.00 C ATOM 488 CE1 HIS A 35 -0.017 22.651 -2.133 1.00 0.00 C ATOM 489 NE2 HIS A 35 -0.257 22.869 -0.852 1.00 0.00 N ATOM 0 H HIS A 35 2.256 16.902 -0.116 1.00 0.00 H new ATOM 0 HA HIS A 35 0.220 18.898 0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.578 20.111 0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.529 19.733 -1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.389 21.830 0.968 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.395 23.239 -2.956 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.832 23.623 -0.476 1.00 0.00 H new ATOM 497 N THR A 36 -0.477 18.362 -2.243 1.00 0.00 N ATOM 498 CA THR A 36 -1.002 17.800 -3.481 1.00 0.00 C ATOM 499 C THR A 36 -1.615 18.883 -4.360 1.00 0.00 C ATOM 500 O THR A 36 -2.523 19.599 -3.938 1.00 0.00 O ATOM 501 CB THR A 36 -2.063 16.719 -3.201 1.00 0.00 C ATOM 502 OG1 THR A 36 -3.074 17.239 -2.330 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.430 15.487 -2.573 1.00 0.00 C ATOM 0 H THR A 36 -1.072 19.073 -1.817 1.00 0.00 H new ATOM 0 HA THR A 36 -0.160 17.346 -4.004 1.00 0.00 H new ATOM 0 HB THR A 36 -2.514 16.431 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.895 17.399 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.200 14.738 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.682 15.076 -3.251 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.954 15.762 -1.632 1.00 0.00 H new ATOM 511 N HIS A 37 -1.114 18.998 -5.586 1.00 0.00 N ATOM 512 CA HIS A 37 -1.614 19.994 -6.526 1.00 0.00 C ATOM 513 C HIS A 37 -3.126 20.152 -6.398 1.00 0.00 C ATOM 514 O HIS A 37 -3.640 21.267 -6.321 1.00 0.00 O ATOM 515 CB HIS A 37 -1.250 19.603 -7.959 1.00 0.00 C ATOM 516 CG HIS A 37 -1.862 18.309 -8.400 1.00 0.00 C ATOM 517 ND1 HIS A 37 -2.604 18.182 -9.555 1.00 0.00 N ATOM 518 CD2 HIS A 37 -1.837 17.079 -7.833 1.00 0.00 C ATOM 519 CE1 HIS A 37 -3.010 16.931 -9.680 1.00 0.00 C ATOM 520 NE2 HIS A 37 -2.558 16.241 -8.648 1.00 0.00 N ATOM 0 H HIS A 37 -0.362 18.414 -5.951 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.145 20.949 -6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.569 20.396 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.166 19.530 -8.043 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -2.808 18.936 -10.211 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.342 16.808 -6.912 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -3.609 16.539 -10.488 1.00 0.00 H new ATOM 528 N GLY A 38 -3.834 19.026 -6.376 1.00 0.00 N ATOM 529 CA GLY A 38 -5.280 19.061 -6.257 1.00 0.00 C ATOM 530 C GLY A 38 -5.773 18.414 -4.978 1.00 0.00 C ATOM 531 O GLY A 38 -5.132 17.508 -4.445 1.00 0.00 O ATOM 0 H GLY A 38 -3.432 18.091 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.619 20.096 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.724 18.552 -7.112 1.00 0.00 H new ATOM 535 N LEU A 39 -6.913 18.882 -4.482 1.00 0.00 N ATOM 536 CA LEU A 39 -7.491 18.344 -3.255 1.00 0.00 C ATOM 537 C LEU A 39 -7.524 16.820 -3.291 1.00 0.00 C ATOM 538 O LEU A 39 -7.994 16.222 -4.259 1.00 0.00 O ATOM 539 CB LEU A 39 -8.906 18.891 -3.053 1.00 0.00 C ATOM 540 CG LEU A 39 -9.762 18.167 -2.013 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.223 18.413 -0.613 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.214 18.614 -2.114 1.00 0.00 C ATOM 0 H LEU A 39 -7.455 19.632 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.864 18.656 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.831 19.940 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.427 18.858 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.717 17.097 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.845 17.890 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.200 18.044 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.237 19.482 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.809 18.089 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.277 19.688 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.597 18.385 -3.109 1.00 0.00 H new ATOM 554 N ILE A 40 -7.023 16.198 -2.229 1.00 0.00 N ATOM 555 CA ILE A 40 -6.998 14.743 -2.138 1.00 0.00 C ATOM 556 C ILE A 40 -8.400 14.181 -1.925 1.00 0.00 C ATOM 557 O ILE A 40 -8.997 14.362 -0.863 1.00 0.00 O ATOM 558 CB ILE A 40 -6.086 14.266 -0.992 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.654 14.759 -1.212 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.119 12.749 -0.885 1.00 0.00 C ATOM 561 CD1 ILE A 40 -3.889 14.984 0.073 1.00 0.00 C ATOM 0 H ILE A 40 -6.629 16.678 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.601 14.375 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.455 14.685 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.118 14.032 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.682 15.691 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.470 12.427 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.139 12.420 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.772 12.311 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.883 15.333 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.403 15.733 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.830 14.049 0.630 1.00 0.00 H new ATOM 573 N ARG A 41 -8.918 13.498 -2.940 1.00 0.00 N ATOM 574 CA ARG A 41 -10.249 12.909 -2.863 1.00 0.00 C ATOM 575 C ARG A 41 -10.254 11.695 -1.938 1.00 0.00 C ATOM 576 O ARG A 41 -11.162 11.527 -1.125 1.00 0.00 O ATOM 577 CB ARG A 41 -10.732 12.503 -4.257 1.00 0.00 C ATOM 578 CG ARG A 41 -10.827 13.666 -5.231 1.00 0.00 C ATOM 579 CD ARG A 41 -11.809 13.372 -6.354 1.00 0.00 C ATOM 580 NE ARG A 41 -13.168 13.176 -5.856 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.240 13.141 -6.640 1.00 0.00 C ATOM 582 NH1 ARG A 41 -14.112 13.288 -7.951 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.444 12.958 -6.112 1.00 0.00 N ATOM 0 H ARG A 41 -8.437 13.339 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.927 13.658 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.053 11.754 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.711 12.032 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.140 14.564 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.843 13.872 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.800 14.195 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.488 12.480 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.301 13.060 -4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.189 13.428 -8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.937 13.261 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.547 12.844 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.266 12.931 -6.715 1.00 0.00 H new ATOM 597 N GLU A 42 -9.235 10.853 -2.070 1.00 0.00 N ATOM 598 CA GLU A 42 -9.123 9.654 -1.247 1.00 0.00 C ATOM 599 C GLU A 42 -7.793 8.948 -1.491 1.00 0.00 C ATOM 600 O GLU A 42 -6.961 9.418 -2.268 1.00 0.00 O ATOM 601 CB GLU A 42 -10.281 8.698 -1.539 1.00 0.00 C ATOM 602 CG GLU A 42 -10.531 8.480 -3.022 1.00 0.00 C ATOM 603 CD GLU A 42 -11.986 8.184 -3.331 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.694 7.687 -2.431 1.00 0.00 O ATOM 605 OE2 GLU A 42 -12.416 8.449 -4.473 1.00 0.00 O ATOM 0 H GLU A 42 -8.475 10.978 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.167 9.958 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.075 7.737 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.189 9.089 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.220 9.367 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.913 7.653 -3.373 1.00 0.00 H new ATOM 612 N TYR A 43 -7.598 7.818 -0.821 1.00 0.00 N ATOM 613 CA TYR A 43 -6.368 7.048 -0.961 1.00 0.00 C ATOM 614 C TYR A 43 -6.673 5.587 -1.278 1.00 0.00 C ATOM 615 O TYR A 43 -7.432 4.931 -0.564 1.00 0.00 O ATOM 616 CB TYR A 43 -5.534 7.141 0.318 1.00 0.00 C ATOM 617 CG TYR A 43 -5.179 8.558 0.708 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.036 9.171 0.210 1.00 0.00 C ATOM 619 CD2 TYR A 43 -5.988 9.284 1.574 1.00 0.00 C ATOM 620 CE1 TYR A 43 -3.708 10.465 0.564 1.00 0.00 C ATOM 621 CE2 TYR A 43 -5.668 10.579 1.933 1.00 0.00 C ATOM 622 CZ TYR A 43 -4.527 11.165 1.426 1.00 0.00 C ATOM 623 OH TYR A 43 -4.205 12.455 1.780 1.00 0.00 O ATOM 0 H TYR A 43 -8.277 7.415 -0.175 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.798 7.469 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.085 6.675 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.616 6.569 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.393 8.626 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -6.882 8.828 1.973 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.815 10.926 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.308 11.130 2.607 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.885 12.806 2.392 1.00 0.00 H new ATOM 633 N ILE A 44 -6.075 5.084 -2.353 1.00 0.00 N ATOM 634 CA ILE A 44 -6.280 3.701 -2.764 1.00 0.00 C ATOM 635 C ILE A 44 -5.170 2.800 -2.235 1.00 0.00 C ATOM 636 O ILE A 44 -4.042 3.244 -2.025 1.00 0.00 O ATOM 637 CB ILE A 44 -6.343 3.573 -4.298 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.161 2.343 -4.696 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.940 3.494 -4.880 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.600 2.351 -6.143 1.00 0.00 C ATOM 0 H ILE A 44 -5.445 5.614 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.234 3.384 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.834 4.458 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.569 1.447 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.042 2.281 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.001 3.404 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.387 4.397 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.425 2.624 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.175 1.449 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.219 3.228 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.723 2.381 -6.789 1.00 0.00 H new ATOM 652 N VAL A 45 -5.498 1.529 -2.022 1.00 0.00 N ATOM 653 CA VAL A 45 -4.528 0.563 -1.521 1.00 0.00 C ATOM 654 C VAL A 45 -4.484 -0.680 -2.401 1.00 0.00 C ATOM 655 O VAL A 45 -5.507 -1.324 -2.634 1.00 0.00 O ATOM 656 CB VAL A 45 -4.851 0.143 -0.074 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.867 1.356 0.843 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.180 -0.595 -0.019 1.00 0.00 C ATOM 0 H VAL A 45 -6.428 1.145 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.554 1.053 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.070 -0.534 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.097 1.040 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.890 1.839 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.626 2.060 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.393 -0.885 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.974 0.057 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.127 -1.487 -0.643 1.00 0.00 H new ATOM 668 N GLU A 46 -3.293 -1.012 -2.889 1.00 0.00 N ATOM 669 CA GLU A 46 -3.117 -2.180 -3.745 1.00 0.00 C ATOM 670 C GLU A 46 -2.205 -3.208 -3.082 1.00 0.00 C ATOM 671 O GLU A 46 -1.083 -2.893 -2.683 1.00 0.00 O ATOM 672 CB GLU A 46 -2.536 -1.764 -5.098 1.00 0.00 C ATOM 673 CG GLU A 46 -3.565 -1.169 -6.045 1.00 0.00 C ATOM 674 CD GLU A 46 -4.178 0.111 -5.510 1.00 0.00 C ATOM 675 OE1 GLU A 46 -3.589 0.709 -4.585 1.00 0.00 O ATOM 676 OE2 GLU A 46 -5.246 0.515 -6.016 1.00 0.00 O ATOM 0 H GLU A 46 -2.436 -0.489 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.095 -2.635 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.741 -1.036 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.079 -2.634 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.094 -0.968 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.355 -1.899 -6.223 1.00 0.00 H new ATOM 683 N TYR A 47 -2.694 -4.437 -2.968 1.00 0.00 N ATOM 684 CA TYR A 47 -1.926 -5.512 -2.351 1.00 0.00 C ATOM 685 C TYR A 47 -1.832 -6.718 -3.280 1.00 0.00 C ATOM 686 O TYR A 47 -2.700 -6.933 -4.126 1.00 0.00 O ATOM 687 CB TYR A 47 -2.562 -5.925 -1.023 1.00 0.00 C ATOM 688 CG TYR A 47 -4.033 -6.259 -1.135 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.970 -5.273 -1.413 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.484 -7.562 -0.962 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.315 -5.574 -1.516 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.827 -7.872 -1.064 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.738 -6.875 -1.340 1.00 0.00 C ATOM 694 OH TYR A 47 -8.076 -7.178 -1.443 1.00 0.00 O ATOM 0 H TYR A 47 -3.620 -4.714 -3.295 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.918 -5.142 -2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.030 -6.791 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.435 -5.117 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.642 -4.253 -1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.773 -8.345 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.031 -4.795 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.161 -8.890 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.207 -8.138 -1.293 1.00 0.00 H new ATOM 704 N SER A 48 -0.772 -7.502 -3.116 1.00 0.00 N ATOM 705 CA SER A 48 -0.561 -8.686 -3.942 1.00 0.00 C ATOM 706 C SER A 48 0.411 -9.651 -3.270 1.00 0.00 C ATOM 707 O SER A 48 1.248 -9.245 -2.463 1.00 0.00 O ATOM 708 CB SER A 48 -0.029 -8.285 -5.319 1.00 0.00 C ATOM 709 OG SER A 48 0.271 -9.427 -6.102 1.00 0.00 O ATOM 0 H SER A 48 -0.045 -7.339 -2.419 1.00 0.00 H new ATOM 0 HA SER A 48 -1.520 -9.190 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.769 -7.671 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.866 -7.674 -5.203 1.00 0.00 H new ATOM 0 HG SER A 48 -0.544 -9.742 -6.547 1.00 0.00 H new ATOM 715 N ARG A 49 0.293 -10.931 -3.608 1.00 0.00 N ATOM 716 CA ARG A 49 1.159 -11.955 -3.037 1.00 0.00 C ATOM 717 C ARG A 49 2.580 -11.830 -3.580 1.00 0.00 C ATOM 718 O ARG A 49 2.781 -11.537 -4.759 1.00 0.00 O ATOM 719 CB ARG A 49 0.607 -13.348 -3.342 1.00 0.00 C ATOM 720 CG ARG A 49 -0.455 -13.811 -2.357 1.00 0.00 C ATOM 721 CD ARG A 49 -1.165 -15.062 -2.851 1.00 0.00 C ATOM 722 NE ARG A 49 -1.899 -14.821 -4.091 1.00 0.00 N ATOM 723 CZ ARG A 49 -2.783 -15.672 -4.598 1.00 0.00 C ATOM 724 NH1 ARG A 49 -3.043 -16.813 -3.975 1.00 0.00 N ATOM 725 NH2 ARG A 49 -3.411 -15.382 -5.731 1.00 0.00 N ATOM 0 H ARG A 49 -0.394 -11.283 -4.274 1.00 0.00 H new ATOM 0 HA ARG A 49 1.187 -11.811 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.184 -13.350 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.429 -14.064 -3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.006 -14.011 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.183 -13.014 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.434 -15.855 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.855 -15.414 -2.084 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.723 -13.952 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.563 -17.039 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.723 -17.465 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.215 -14.505 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.090 -16.036 -6.120 1.00 0.00 H new ATOM 739 N SER A 50 3.562 -12.053 -2.713 1.00 0.00 N ATOM 740 CA SER A 50 4.963 -11.961 -3.104 1.00 0.00 C ATOM 741 C SER A 50 5.171 -12.505 -4.514 1.00 0.00 C ATOM 742 O SER A 50 5.953 -11.961 -5.292 1.00 0.00 O ATOM 743 CB SER A 50 5.842 -12.729 -2.115 1.00 0.00 C ATOM 744 OG SER A 50 7.007 -13.229 -2.749 1.00 0.00 O ATOM 0 H SER A 50 3.413 -12.299 -1.734 1.00 0.00 H new ATOM 0 HA SER A 50 5.249 -10.909 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.125 -12.074 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.275 -13.555 -1.685 1.00 0.00 H new ATOM 0 HG SER A 50 7.552 -13.714 -2.095 1.00 0.00 H new ATOM 750 N GLY A 51 4.463 -13.584 -4.836 1.00 0.00 N ATOM 751 CA GLY A 51 4.582 -14.184 -6.151 1.00 0.00 C ATOM 752 C GLY A 51 3.236 -14.406 -6.812 1.00 0.00 C ATOM 753 O GLY A 51 2.630 -15.466 -6.661 1.00 0.00 O ATOM 0 H GLY A 51 3.809 -14.053 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.193 -13.542 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.103 -15.138 -6.066 1.00 0.00 H new ATOM 757 N SER A 52 2.767 -13.402 -7.546 1.00 0.00 N ATOM 758 CA SER A 52 1.481 -13.490 -8.228 1.00 0.00 C ATOM 759 C SER A 52 1.249 -12.267 -9.110 1.00 0.00 C ATOM 760 O SER A 52 1.670 -11.158 -8.778 1.00 0.00 O ATOM 761 CB SER A 52 0.347 -13.621 -7.209 1.00 0.00 C ATOM 762 OG SER A 52 0.119 -14.978 -6.872 1.00 0.00 O ATOM 0 H SER A 52 3.258 -12.519 -7.684 1.00 0.00 H new ATOM 0 HA SER A 52 1.494 -14.376 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.595 -13.056 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.565 -13.186 -7.617 1.00 0.00 H new ATOM 0 HG SER A 52 0.952 -15.378 -6.545 1.00 0.00 H new ATOM 768 N LYS A 53 0.576 -12.476 -10.236 1.00 0.00 N ATOM 769 CA LYS A 53 0.285 -11.393 -11.167 1.00 0.00 C ATOM 770 C LYS A 53 -1.124 -10.852 -10.951 1.00 0.00 C ATOM 771 O LYS A 53 -1.775 -10.395 -11.890 1.00 0.00 O ATOM 772 CB LYS A 53 0.441 -11.877 -12.611 1.00 0.00 C ATOM 773 CG LYS A 53 1.852 -12.323 -12.954 1.00 0.00 C ATOM 774 CD LYS A 53 2.151 -12.140 -14.432 1.00 0.00 C ATOM 775 CE LYS A 53 3.633 -11.901 -14.676 1.00 0.00 C ATOM 776 NZ LYS A 53 4.049 -10.532 -14.265 1.00 0.00 N ATOM 0 H LYS A 53 0.221 -13.387 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 53 0.996 -10.588 -10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.245 -12.706 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.148 -11.075 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.569 -11.752 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.979 -13.371 -12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.829 -13.024 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.577 -11.298 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.215 -12.639 -14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.855 -12.046 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.989 -10.323 -14.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.362 -9.838 -14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.087 -10.478 -13.227 1.00 0.00 H new ATOM 790 N MET A 54 -1.590 -10.908 -9.707 1.00 0.00 N ATOM 791 CA MET A 54 -2.922 -10.421 -9.368 1.00 0.00 C ATOM 792 C MET A 54 -2.854 -9.388 -8.248 1.00 0.00 C ATOM 793 O MET A 54 -2.648 -9.733 -7.084 1.00 0.00 O ATOM 794 CB MET A 54 -3.822 -11.585 -8.949 1.00 0.00 C ATOM 795 CG MET A 54 -4.326 -12.415 -10.119 1.00 0.00 C ATOM 796 SD MET A 54 -3.074 -13.545 -10.759 1.00 0.00 S ATOM 797 CE MET A 54 -3.637 -15.099 -10.070 1.00 0.00 C ATOM 0 H MET A 54 -1.065 -11.285 -8.918 1.00 0.00 H new ATOM 0 HA MET A 54 -3.344 -9.945 -10.253 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.271 -12.232 -8.266 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.676 -11.193 -8.398 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.199 -12.987 -9.805 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.652 -11.749 -10.918 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.963 -15.899 -10.377 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.648 -15.032 -8.982 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.643 -15.314 -10.431 1.00 0.00 H new ATOM 807 N TRP A 55 -3.029 -8.121 -8.607 1.00 0.00 N ATOM 808 CA TRP A 55 -2.987 -7.038 -7.631 1.00 0.00 C ATOM 809 C TRP A 55 -4.368 -6.419 -7.446 1.00 0.00 C ATOM 810 O TRP A 55 -4.951 -5.886 -8.389 1.00 0.00 O ATOM 811 CB TRP A 55 -1.989 -5.966 -8.072 1.00 0.00 C ATOM 812 CG TRP A 55 -0.563 -6.425 -8.024 1.00 0.00 C ATOM 813 CD1 TRP A 55 0.044 -7.303 -8.875 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.432 -6.032 -7.072 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.358 -7.479 -8.511 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.621 -6.710 -7.409 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.436 -5.172 -5.971 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.797 -6.554 -6.681 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.605 -5.019 -5.250 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.773 -5.706 -5.608 1.00 0.00 C ATOM 0 H TRP A 55 -3.201 -7.819 -9.566 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.665 -7.454 -6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.228 -5.653 -9.088 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.103 -5.090 -7.434 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.437 -7.788 -9.711 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.028 -8.084 -8.985 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.458 -4.636 -5.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.697 -7.084 -6.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.619 -4.358 -4.396 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.671 -5.563 -5.026 1.00 0.00 H new ATOM 831 N ALA A 56 -4.885 -6.492 -6.224 1.00 0.00 N ATOM 832 CA ALA A 56 -6.197 -5.937 -5.915 1.00 0.00 C ATOM 833 C ALA A 56 -6.101 -4.449 -5.596 1.00 0.00 C ATOM 834 O ALA A 56 -5.007 -3.902 -5.460 1.00 0.00 O ATOM 835 CB ALA A 56 -6.827 -6.688 -4.751 1.00 0.00 C ATOM 0 H ALA A 56 -4.415 -6.930 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.830 -6.054 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.806 -6.263 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.939 -7.740 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.188 -6.600 -3.873 1.00 0.00 H new ATOM 841 N SER A 57 -7.255 -3.798 -5.480 1.00 0.00 N ATOM 842 CA SER A 57 -7.301 -2.371 -5.182 1.00 0.00 C ATOM 843 C SER A 57 -8.606 -2.004 -4.483 1.00 0.00 C ATOM 844 O SER A 57 -9.662 -2.559 -4.787 1.00 0.00 O ATOM 845 CB SER A 57 -7.151 -1.555 -6.468 1.00 0.00 C ATOM 846 OG SER A 57 -8.197 -1.844 -7.380 1.00 0.00 O ATOM 0 H SER A 57 -8.170 -4.236 -5.588 1.00 0.00 H new ATOM 0 HA SER A 57 -6.473 -2.138 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.155 -0.491 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.189 -1.774 -6.932 1.00 0.00 H new ATOM 0 HG SER A 57 -8.080 -1.309 -8.193 1.00 0.00 H new ATOM 852 N GLN A 58 -8.524 -1.067 -3.545 1.00 0.00 N ATOM 853 CA GLN A 58 -9.698 -0.626 -2.801 1.00 0.00 C ATOM 854 C GLN A 58 -9.499 0.784 -2.255 1.00 0.00 C ATOM 855 O GLN A 58 -8.381 1.179 -1.921 1.00 0.00 O ATOM 856 CB GLN A 58 -9.994 -1.593 -1.654 1.00 0.00 C ATOM 857 CG GLN A 58 -8.884 -1.667 -0.618 1.00 0.00 C ATOM 858 CD GLN A 58 -9.165 -2.687 0.467 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.219 -3.323 0.479 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.221 -2.848 1.387 1.00 0.00 N ATOM 0 H GLN A 58 -7.657 -0.598 -3.282 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.547 -0.614 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.918 -1.289 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.164 -2.589 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.946 -1.918 -1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.751 -0.686 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.362 -2.299 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.354 -3.520 2.142 1.00 0.00 H new ATOM 869 N ARG A 59 -10.589 1.539 -2.166 1.00 0.00 N ATOM 870 CA ARG A 59 -10.534 2.905 -1.662 1.00 0.00 C ATOM 871 C ARG A 59 -10.547 2.923 -0.136 1.00 0.00 C ATOM 872 O ARG A 59 -11.162 2.066 0.499 1.00 0.00 O ATOM 873 CB ARG A 59 -11.711 3.720 -2.202 1.00 0.00 C ATOM 874 CG ARG A 59 -11.444 4.349 -3.560 1.00 0.00 C ATOM 875 CD ARG A 59 -11.232 3.292 -4.632 1.00 0.00 C ATOM 876 NE ARG A 59 -11.091 3.880 -5.961 1.00 0.00 N ATOM 877 CZ ARG A 59 -11.081 3.169 -7.083 1.00 0.00 C ATOM 878 NH1 ARG A 59 -11.203 1.849 -7.036 1.00 0.00 N ATOM 879 NH2 ARG A 59 -10.950 3.777 -8.254 1.00 0.00 N ATOM 0 H ARG A 59 -11.522 1.227 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.602 3.354 -2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.586 3.074 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.955 4.507 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.283 4.987 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.563 4.989 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.340 2.711 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.074 2.600 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.995 4.893 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.305 1.378 -6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.195 1.305 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.857 4.792 -8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.942 3.230 -9.115 1.00 0.00 H new ATOM 893 N ALA A 60 -9.864 3.903 0.446 1.00 0.00 N ATOM 894 CA ALA A 60 -9.799 4.033 1.896 1.00 0.00 C ATOM 895 C ALA A 60 -10.072 5.469 2.332 1.00 0.00 C ATOM 896 O ALA A 60 -9.368 6.394 1.930 1.00 0.00 O ATOM 897 CB ALA A 60 -8.441 3.574 2.406 1.00 0.00 C ATOM 0 H ALA A 60 -9.348 4.619 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.572 3.397 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.406 3.676 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.284 2.530 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.658 4.186 1.958 1.00 0.00 H new ATOM 903 N ALA A 61 -11.100 5.647 3.155 1.00 0.00 N ATOM 904 CA ALA A 61 -11.465 6.970 3.646 1.00 0.00 C ATOM 905 C ALA A 61 -10.319 7.600 4.431 1.00 0.00 C ATOM 906 O ALA A 61 -9.860 8.694 4.105 1.00 0.00 O ATOM 907 CB ALA A 61 -12.715 6.886 4.510 1.00 0.00 C ATOM 0 H ALA A 61 -11.695 4.892 3.496 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.673 7.605 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.976 7.881 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.539 6.486 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.526 6.231 5.360 1.00 0.00 H new ATOM 913 N SER A 62 -9.863 6.902 5.466 1.00 0.00 N ATOM 914 CA SER A 62 -8.773 7.395 6.300 1.00 0.00 C ATOM 915 C SER A 62 -7.420 7.017 5.705 1.00 0.00 C ATOM 916 O SER A 62 -7.344 6.460 4.611 1.00 0.00 O ATOM 917 CB SER A 62 -8.895 6.836 7.718 1.00 0.00 C ATOM 918 OG SER A 62 -10.065 7.315 8.357 1.00 0.00 O ATOM 0 H SER A 62 -10.231 5.993 5.747 1.00 0.00 H new ATOM 0 HA SER A 62 -8.841 8.482 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.917 5.747 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.018 7.118 8.300 1.00 0.00 H new ATOM 0 HG SER A 62 -10.120 6.941 9.261 1.00 0.00 H new ATOM 924 N ASN A 63 -6.353 7.323 6.437 1.00 0.00 N ATOM 925 CA ASN A 63 -5.001 7.016 5.983 1.00 0.00 C ATOM 926 C ASN A 63 -4.623 5.580 6.332 1.00 0.00 C ATOM 927 O ASN A 63 -3.458 5.279 6.590 1.00 0.00 O ATOM 928 CB ASN A 63 -3.998 7.987 6.609 1.00 0.00 C ATOM 929 CG ASN A 63 -3.793 9.231 5.766 1.00 0.00 C ATOM 930 OD1 ASN A 63 -4.720 9.710 5.112 1.00 0.00 O ATOM 931 ND2 ASN A 63 -2.575 9.759 5.777 1.00 0.00 N ATOM 0 H ASN A 63 -6.398 7.783 7.346 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.974 7.126 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.347 8.277 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.042 7.481 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.377 10.596 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.837 9.328 6.334 1.00 0.00 H new ATOM 938 N PHE A 64 -5.617 4.698 6.340 1.00 0.00 N ATOM 939 CA PHE A 64 -5.389 3.293 6.658 1.00 0.00 C ATOM 940 C PHE A 64 -6.516 2.422 6.111 1.00 0.00 C ATOM 941 O PHE A 64 -7.615 2.905 5.839 1.00 0.00 O ATOM 942 CB PHE A 64 -5.272 3.104 8.172 1.00 0.00 C ATOM 943 CG PHE A 64 -6.586 2.828 8.845 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.547 3.821 8.950 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.860 1.577 9.372 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.758 3.570 9.569 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.069 1.320 9.991 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.018 2.319 10.091 1.00 0.00 C ATOM 0 H PHE A 64 -6.588 4.931 6.130 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.455 2.986 6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.589 2.280 8.375 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.830 4.000 8.609 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.348 4.802 8.544 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.121 0.793 9.299 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.499 4.352 9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.271 0.339 10.396 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.962 2.121 10.577 1.00 0.00 H new ATOM 958 N THR A 65 -6.234 1.132 5.950 1.00 0.00 N ATOM 959 CA THR A 65 -7.221 0.193 5.434 1.00 0.00 C ATOM 960 C THR A 65 -6.974 -1.214 5.967 1.00 0.00 C ATOM 961 O THR A 65 -5.905 -1.504 6.503 1.00 0.00 O ATOM 962 CB THR A 65 -7.210 0.155 3.894 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.439 -0.396 3.408 1.00 0.00 O ATOM 964 CG2 THR A 65 -6.040 -0.671 3.382 1.00 0.00 C ATOM 0 H THR A 65 -5.330 0.715 6.170 1.00 0.00 H new ATOM 0 HA THR A 65 -8.196 0.542 5.775 1.00 0.00 H new ATOM 0 HB THR A 65 -7.101 1.176 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.424 -0.415 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.053 -0.684 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.105 -0.231 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.123 -1.691 3.758 1.00 0.00 H new ATOM 972 N GLU A 66 -7.968 -2.083 5.816 1.00 0.00 N ATOM 973 CA GLU A 66 -7.856 -3.459 6.283 1.00 0.00 C ATOM 974 C GLU A 66 -7.923 -4.438 5.114 1.00 0.00 C ATOM 975 O GLU A 66 -9.005 -4.760 4.622 1.00 0.00 O ATOM 976 CB GLU A 66 -8.967 -3.772 7.289 1.00 0.00 C ATOM 977 CG GLU A 66 -8.588 -3.468 8.728 1.00 0.00 C ATOM 978 CD GLU A 66 -9.783 -3.077 9.576 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.153 -1.884 9.566 1.00 0.00 O ATOM 980 OE2 GLU A 66 -10.349 -3.964 10.249 1.00 0.00 O ATOM 0 H GLU A 66 -8.859 -1.858 5.374 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.889 -3.571 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.855 -3.197 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.233 -4.826 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.107 -4.343 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.856 -2.661 8.744 1.00 0.00 H new ATOM 987 N ILE A 67 -6.760 -4.906 4.675 1.00 0.00 N ATOM 988 CA ILE A 67 -6.686 -5.847 3.565 1.00 0.00 C ATOM 989 C ILE A 67 -6.995 -7.267 4.027 1.00 0.00 C ATOM 990 O ILE A 67 -6.151 -7.936 4.624 1.00 0.00 O ATOM 991 CB ILE A 67 -5.297 -5.826 2.900 1.00 0.00 C ATOM 992 CG1 ILE A 67 -4.948 -4.409 2.441 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.256 -6.794 1.727 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.498 -4.242 2.044 1.00 0.00 C ATOM 0 H ILE A 67 -5.856 -4.649 5.071 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.433 -5.534 2.836 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.555 -6.143 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.581 -4.144 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.180 -3.709 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.268 -6.767 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.465 -7.804 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.006 -6.505 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.323 -3.213 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.858 -4.475 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.266 -4.917 1.220 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.211 -7.724 3.746 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.632 -9.066 4.129 1.00 0.00 C ATOM 1008 C LYS A 68 -8.577 -10.015 2.936 1.00 0.00 C ATOM 1009 O LYS A 68 -8.223 -9.614 1.828 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.051 -9.033 4.702 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.310 -7.847 5.616 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.455 -8.123 6.575 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.287 -7.356 7.878 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.480 -7.493 8.760 1.00 0.00 N ATOM 0 H LYS A 68 -8.923 -7.184 3.254 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.946 -9.431 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.766 -9.010 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.232 -9.954 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.407 -7.619 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.541 -6.967 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.399 -7.844 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.506 -9.191 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.404 -7.720 8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.116 -6.302 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.326 -6.956 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.319 -7.122 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.629 -8.496 8.990 1.00 0.00 H new ATOM 1028 N ASN A 69 -8.931 -11.274 3.170 1.00 0.00 N ATOM 1029 CA ASN A 69 -8.922 -12.280 2.114 1.00 0.00 C ATOM 1030 C ASN A 69 -7.494 -12.627 1.705 1.00 0.00 C ATOM 1031 O ASN A 69 -7.196 -12.784 0.520 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.705 -11.780 0.899 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.008 -11.108 1.287 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.958 -11.767 1.709 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.058 -9.788 1.145 1.00 0.00 N ATOM 0 H ASN A 69 -9.228 -11.622 4.082 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.399 -13.181 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.090 -11.077 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.916 -12.619 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.908 -9.281 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.246 -9.282 0.791 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.614 -12.746 2.693 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.216 -13.076 2.437 1.00 0.00 C ATOM 1044 C LEU A 70 -4.854 -14.426 3.048 1.00 0.00 C ATOM 1045 O LEU A 70 -5.556 -14.931 3.924 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.303 -11.986 3.002 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.724 -10.544 2.719 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -3.744 -9.567 3.350 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.829 -10.303 1.220 1.00 0.00 C ATOM 0 H LEU A 70 -6.844 -12.619 3.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.074 -13.137 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.237 -12.119 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.301 -12.136 2.601 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.706 -10.379 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.061 -8.546 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.719 -9.722 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.749 -9.732 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.130 -9.271 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.861 -10.487 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.571 -10.978 0.794 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.753 -15.004 2.581 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.295 -16.295 3.082 1.00 0.00 C ATOM 1063 C LEU A 71 -2.276 -16.114 4.203 1.00 0.00 C ATOM 1064 O LEU A 71 -1.304 -15.372 4.058 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.682 -17.117 1.948 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.580 -17.362 0.735 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.795 -18.025 -0.386 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.780 -18.214 1.123 1.00 0.00 C ATOM 0 H LEU A 71 -3.161 -14.599 1.856 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.158 -16.828 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.777 -16.613 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.377 -18.083 2.350 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.943 -16.399 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.451 -18.191 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.969 -17.379 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.402 -18.981 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.408 -18.378 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.436 -19.174 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.357 -17.701 1.892 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.503 -16.798 5.319 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.603 -16.716 6.463 1.00 0.00 C ATOM 1082 C VAL A 72 -0.203 -17.196 6.097 1.00 0.00 C ATOM 1083 O VAL A 72 -0.023 -17.939 5.133 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.125 -17.548 7.649 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.404 -16.942 8.206 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.350 -18.993 7.228 1.00 0.00 C ATOM 0 H VAL A 72 -3.303 -17.416 5.456 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.559 -15.667 6.756 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.372 -17.535 8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.757 -17.544 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.207 -15.926 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.166 -16.921 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.719 -19.567 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.083 -19.027 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.410 -19.422 6.882 1.00 0.00 H new ATOM 1096 N ASN A 73 0.786 -16.765 6.873 1.00 0.00 N ATOM 1097 CA ASN A 73 2.171 -17.151 6.631 1.00 0.00 C ATOM 1098 C ASN A 73 2.543 -16.949 5.165 1.00 0.00 C ATOM 1099 O ASN A 73 3.233 -17.776 4.567 1.00 0.00 O ATOM 1100 CB ASN A 73 2.393 -18.612 7.028 1.00 0.00 C ATOM 1101 CG ASN A 73 1.669 -19.577 6.109 1.00 0.00 C ATOM 1102 OD1 ASN A 73 2.145 -19.887 5.017 1.00 0.00 O ATOM 1103 ND2 ASN A 73 0.511 -20.057 6.549 1.00 0.00 N ATOM 0 H ASN A 73 0.654 -16.148 7.675 1.00 0.00 H new ATOM 0 HA ASN A 73 2.811 -16.515 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.461 -18.832 7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.051 -18.764 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.022 -20.710 5.975 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.155 -19.772 7.461 1.00 0.00 H new ATOM 1110 N THR A 74 2.083 -15.842 4.590 1.00 0.00 N ATOM 1111 CA THR A 74 2.366 -15.530 3.195 1.00 0.00 C ATOM 1112 C THR A 74 2.759 -14.067 3.027 1.00 0.00 C ATOM 1113 O THR A 74 1.987 -13.165 3.356 1.00 0.00 O ATOM 1114 CB THR A 74 1.153 -15.831 2.295 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.765 -17.202 2.438 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.476 -15.540 0.837 1.00 0.00 C ATOM 0 H THR A 74 1.512 -15.146 5.070 1.00 0.00 H new ATOM 0 HA THR A 74 3.200 -16.164 2.892 1.00 0.00 H new ATOM 0 HB THR A 74 0.330 -15.187 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.485 -17.368 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.605 -15.760 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.743 -14.489 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.312 -16.162 0.518 1.00 0.00 H new ATOM 1124 N LEU A 75 3.962 -13.837 2.514 1.00 0.00 N ATOM 1125 CA LEU A 75 4.458 -12.482 2.301 1.00 0.00 C ATOM 1126 C LEU A 75 3.516 -11.694 1.396 1.00 0.00 C ATOM 1127 O LEU A 75 3.279 -12.073 0.249 1.00 0.00 O ATOM 1128 CB LEU A 75 5.859 -12.520 1.689 1.00 0.00 C ATOM 1129 CG LEU A 75 6.595 -11.182 1.615 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.903 -10.245 0.636 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.684 -10.544 2.993 1.00 0.00 C ATOM 0 H LEU A 75 4.613 -14.572 2.237 1.00 0.00 H new ATOM 0 HA LEU A 75 4.505 -11.983 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.468 -13.215 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.782 -12.926 0.680 1.00 0.00 H new ATOM 0 HG LEU A 75 7.608 -11.367 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.441 -9.298 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.893 -10.698 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.879 -10.067 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.211 -9.593 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.680 -10.374 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.225 -11.208 3.667 1.00 0.00 H new ATOM 1143 N TYR A 76 2.984 -10.595 1.919 1.00 0.00 N ATOM 1144 CA TYR A 76 2.068 -9.753 1.158 1.00 0.00 C ATOM 1145 C TYR A 76 2.619 -8.337 1.017 1.00 0.00 C ATOM 1146 O TYR A 76 3.020 -7.713 1.999 1.00 0.00 O ATOM 1147 CB TYR A 76 0.697 -9.713 1.835 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.223 -10.834 1.406 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.902 -10.776 0.195 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.413 -11.950 2.211 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.744 -11.798 -0.201 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.252 -12.976 1.823 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.915 -12.896 0.616 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.753 -13.916 0.226 1.00 0.00 O ATOM 0 H TYR A 76 3.171 -10.266 2.866 1.00 0.00 H new ATOM 0 HA TYR A 76 1.962 -10.183 0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.833 -9.759 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.220 -8.758 1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.770 -9.918 -0.447 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.104 -12.016 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.265 -11.737 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.388 -13.837 2.461 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.244 -14.751 0.161 1.00 0.00 H new ATOM 1164 N THR A 77 2.635 -7.835 -0.214 1.00 0.00 N ATOM 1165 CA THR A 77 3.137 -6.494 -0.487 1.00 0.00 C ATOM 1166 C THR A 77 1.992 -5.520 -0.740 1.00 0.00 C ATOM 1167 O THR A 77 1.216 -5.690 -1.681 1.00 0.00 O ATOM 1168 CB THR A 77 4.083 -6.484 -1.702 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.124 -7.450 -1.520 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.693 -5.105 -1.902 1.00 0.00 C ATOM 0 H THR A 77 2.306 -8.338 -1.038 1.00 0.00 H new ATOM 0 HA THR A 77 3.691 -6.178 0.397 1.00 0.00 H new ATOM 0 HB THR A 77 3.502 -6.739 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.720 -7.439 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.357 -5.123 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.899 -4.377 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.260 -4.826 -1.014 1.00 0.00 H new ATOM 1178 N VAL A 78 1.892 -4.498 0.104 1.00 0.00 N ATOM 1179 CA VAL A 78 0.843 -3.495 -0.030 1.00 0.00 C ATOM 1180 C VAL A 78 1.424 -2.140 -0.418 1.00 0.00 C ATOM 1181 O VAL A 78 2.538 -1.795 -0.023 1.00 0.00 O ATOM 1182 CB VAL A 78 0.042 -3.342 1.277 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -1.140 -2.407 1.073 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.423 -4.701 1.778 1.00 0.00 C ATOM 0 H VAL A 78 2.525 -4.343 0.888 1.00 0.00 H new ATOM 0 HA VAL A 78 0.175 -3.840 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 78 0.694 -2.904 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.694 -2.311 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.779 -1.426 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.796 -2.812 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.987 -4.575 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.059 -5.168 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.443 -5.335 1.966 1.00 0.00 H new ATOM 1194 N ARG A 79 0.662 -1.376 -1.195 1.00 0.00 N ATOM 1195 CA ARG A 79 1.102 -0.059 -1.637 1.00 0.00 C ATOM 1196 C ARG A 79 -0.068 0.919 -1.679 1.00 0.00 C ATOM 1197 O ARG A 79 -1.139 0.601 -2.197 1.00 0.00 O ATOM 1198 CB ARG A 79 1.752 -0.152 -3.019 1.00 0.00 C ATOM 1199 CG ARG A 79 0.818 -0.677 -4.097 1.00 0.00 C ATOM 1200 CD ARG A 79 1.513 -0.754 -5.448 1.00 0.00 C ATOM 1201 NE ARG A 79 0.560 -0.878 -6.547 1.00 0.00 N ATOM 1202 CZ ARG A 79 0.840 -0.544 -7.802 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.037 -0.069 -8.115 1.00 0.00 N ATOM 1204 NH2 ARG A 79 -0.080 -0.686 -8.748 1.00 0.00 N ATOM 0 H ARG A 79 -0.262 -1.647 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 79 1.837 0.310 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.110 0.835 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.625 -0.802 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.456 -1.666 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.054 -0.028 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.121 0.139 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.192 -1.607 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.371 -1.241 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.747 0.041 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.248 0.186 -9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.002 -1.052 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.135 -0.429 -9.711 1.00 0.00 H new ATOM 1218 N VAL A 80 0.143 2.111 -1.129 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.894 3.136 -1.104 1.00 0.00 C ATOM 1220 C VAL A 80 -0.591 4.249 -2.101 1.00 0.00 C ATOM 1221 O VAL A 80 0.569 4.521 -2.409 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.044 3.748 0.302 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.175 4.764 0.324 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.276 2.657 1.336 1.00 0.00 C ATOM 0 H VAL A 80 1.023 2.390 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.828 2.648 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.118 4.265 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.266 5.186 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.962 5.562 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.109 4.274 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.380 3.107 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.186 2.110 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.429 1.971 1.337 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.642 4.888 -2.602 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.489 5.974 -3.563 1.00 0.00 C ATOM 1236 C ALA A 81 -2.527 7.066 -3.328 1.00 0.00 C ATOM 1237 O ALA A 81 -3.710 6.782 -3.146 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.595 5.440 -4.984 1.00 0.00 C ATOM 0 H ALA A 81 -2.609 4.673 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.501 6.412 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.479 6.261 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.812 4.701 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.570 4.974 -5.126 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.075 8.316 -3.333 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.966 9.450 -3.121 1.00 0.00 C ATOM 1246 C ALA A 82 -3.709 9.811 -4.403 1.00 0.00 C ATOM 1247 O ALA A 82 -3.094 10.075 -5.436 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.180 10.649 -2.609 1.00 0.00 C ATOM 0 H ALA A 82 -1.098 8.569 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.705 9.166 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.857 11.489 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.699 10.393 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.420 10.925 -3.340 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.037 9.821 -4.329 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.864 10.150 -5.483 1.00 0.00 C ATOM 1256 C VAL A 83 -6.163 11.644 -5.537 1.00 0.00 C ATOM 1257 O VAL A 83 -6.377 12.284 -4.507 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.194 9.372 -5.460 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.257 10.108 -6.262 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.994 7.961 -5.992 1.00 0.00 C ATOM 0 H VAL A 83 -5.562 9.605 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.299 9.863 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.537 9.301 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.189 9.544 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.418 11.096 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.926 10.212 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.943 7.425 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.629 8.007 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.267 7.438 -5.371 1.00 0.00 H new ATOM 1270 N THR A 84 -6.177 12.196 -6.747 1.00 0.00 N ATOM 1271 CA THR A 84 -6.449 13.615 -6.936 1.00 0.00 C ATOM 1272 C THR A 84 -7.555 13.830 -7.962 1.00 0.00 C ATOM 1273 O THR A 84 -7.949 12.903 -8.669 1.00 0.00 O ATOM 1274 CB THR A 84 -5.187 14.373 -7.392 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.505 13.624 -8.405 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.250 14.618 -6.219 1.00 0.00 C ATOM 0 H THR A 84 -6.003 11.681 -7.610 1.00 0.00 H new ATOM 0 HA THR A 84 -6.771 14.007 -5.971 1.00 0.00 H new ATOM 0 HB THR A 84 -5.495 15.336 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.752 14.149 -8.749 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.366 15.154 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.762 15.212 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.949 13.663 -5.788 1.00 0.00 H new ATOM 1284 N SER A 85 -8.054 15.060 -8.039 1.00 0.00 N ATOM 1285 CA SER A 85 -9.118 15.397 -8.977 1.00 0.00 C ATOM 1286 C SER A 85 -8.954 14.627 -10.284 1.00 0.00 C ATOM 1287 O SER A 85 -9.929 14.143 -10.858 1.00 0.00 O ATOM 1288 CB SER A 85 -9.124 16.901 -9.255 1.00 0.00 C ATOM 1289 OG SER A 85 -7.919 17.310 -9.879 1.00 0.00 O ATOM 0 H SER A 85 -7.738 15.840 -7.462 1.00 0.00 H new ATOM 0 HA SER A 85 -10.069 15.114 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.971 17.152 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.256 17.446 -8.320 1.00 0.00 H new ATOM 0 HG SER A 85 -7.949 18.275 -10.047 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.713 14.518 -10.747 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.420 13.809 -11.986 1.00 0.00 C ATOM 1297 C ARG A 86 -7.518 12.300 -11.785 1.00 0.00 C ATOM 1298 O ARG A 86 -8.367 11.638 -12.381 1.00 0.00 O ATOM 1299 CB ARG A 86 -6.024 14.177 -12.492 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.849 13.990 -13.990 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.388 14.094 -14.398 1.00 0.00 C ATOM 1302 NE ARG A 86 -3.609 12.947 -13.940 1.00 0.00 N ATOM 1303 CZ ARG A 86 -2.335 12.748 -14.260 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -1.700 13.616 -15.036 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -1.693 11.680 -13.804 1.00 0.00 N ATOM 0 H ARG A 86 -6.895 14.912 -10.283 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.159 14.108 -12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.817 15.217 -12.238 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.286 13.568 -11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.242 13.017 -14.284 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.431 14.743 -14.522 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.319 14.169 -15.483 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.961 15.009 -13.988 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.068 12.261 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.190 14.438 -15.388 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.722 13.461 -15.280 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.178 11.010 -13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.715 11.529 -14.051 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.643 11.762 -10.942 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.647 10.335 -10.677 1.00 0.00 C ATOM 1321 C GLY A 87 -5.567 9.923 -9.697 1.00 0.00 C ATOM 1322 O GLY A 87 -5.076 10.745 -8.923 1.00 0.00 O ATOM 0 H GLY A 87 -5.931 12.289 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.621 10.045 -10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.509 9.795 -11.613 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.196 8.647 -9.729 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.167 8.128 -8.837 1.00 0.00 C ATOM 1328 C ILE A 88 -2.789 8.655 -9.221 1.00 0.00 C ATOM 1329 O ILE A 88 -2.464 8.768 -10.402 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.137 6.589 -8.847 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.544 6.028 -8.624 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -3.181 6.071 -7.783 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.670 4.560 -8.968 1.00 0.00 C ATOM 0 H ILE A 88 -5.593 7.954 -10.363 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.418 8.472 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.782 6.254 -9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.823 6.174 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.253 6.596 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.171 4.981 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.177 6.447 -7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.509 6.413 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.693 4.230 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.422 4.410 -10.019 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.986 3.981 -8.348 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.981 8.975 -8.215 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.646 9.485 -8.468 1.00 0.00 C ATOM 1347 C GLY A 89 0.424 8.429 -8.271 1.00 0.00 C ATOM 1348 O GLY A 89 0.189 7.246 -8.510 1.00 0.00 O ATOM 0 H GLY A 89 -2.227 8.890 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.593 9.866 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.449 10.326 -7.803 1.00 0.00 H new ATOM 1352 N ASN A 90 1.604 8.859 -7.837 1.00 0.00 N ATOM 1353 CA ASN A 90 2.715 7.943 -7.610 1.00 0.00 C ATOM 1354 C ASN A 90 2.351 6.894 -6.563 1.00 0.00 C ATOM 1355 O ASN A 90 1.324 7.002 -5.893 1.00 0.00 O ATOM 1356 CB ASN A 90 3.958 8.715 -7.163 1.00 0.00 C ATOM 1357 CG ASN A 90 4.697 9.345 -8.328 1.00 0.00 C ATOM 1358 OD1 ASN A 90 5.076 8.662 -9.280 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.906 10.655 -8.258 1.00 0.00 N ATOM 0 H ASN A 90 1.815 9.836 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 90 2.930 7.434 -8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.665 9.493 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.630 8.041 -6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.398 11.134 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.574 11.182 -7.450 1.00 0.00 H new ATOM 1366 N TRP A 91 3.199 5.882 -6.429 1.00 0.00 N ATOM 1367 CA TRP A 91 2.967 4.813 -5.463 1.00 0.00 C ATOM 1368 C TRP A 91 3.946 4.911 -4.298 1.00 0.00 C ATOM 1369 O TRP A 91 5.145 5.107 -4.497 1.00 0.00 O ATOM 1370 CB TRP A 91 3.097 3.448 -6.141 1.00 0.00 C ATOM 1371 CG TRP A 91 1.973 3.145 -7.085 1.00 0.00 C ATOM 1372 CD1 TRP A 91 2.024 3.152 -8.449 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.630 2.792 -6.734 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.795 2.824 -8.968 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.077 2.598 -7.936 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.042 2.618 -5.521 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.423 2.241 -7.958 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.378 2.265 -5.545 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.057 2.078 -6.756 1.00 0.00 C ATOM 0 H TRP A 91 4.053 5.778 -6.976 1.00 0.00 H new ATOM 0 HA TRP A 91 1.955 4.922 -5.073 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.040 3.409 -6.686 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.139 2.673 -5.376 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.902 3.382 -9.035 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.569 2.759 -9.960 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.473 2.757 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -1.948 2.098 -8.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.908 2.131 -4.614 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.100 1.800 -6.741 1.00 0.00 H new ATOM 1390 N SER A 92 3.427 4.773 -3.082 1.00 0.00 N ATOM 1391 CA SER A 92 4.255 4.850 -1.884 1.00 0.00 C ATOM 1392 C SER A 92 5.104 3.592 -1.730 1.00 0.00 C ATOM 1393 O SER A 92 4.636 2.480 -1.973 1.00 0.00 O ATOM 1394 CB SER A 92 3.380 5.043 -0.644 1.00 0.00 C ATOM 1395 OG SER A 92 2.699 3.847 -0.309 1.00 0.00 O ATOM 0 H SER A 92 2.437 4.607 -2.900 1.00 0.00 H new ATOM 0 HA SER A 92 4.920 5.707 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.999 5.360 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.657 5.838 -0.826 1.00 0.00 H new ATOM 0 HG SER A 92 2.148 3.996 0.488 1.00 0.00 H new ATOM 1401 N ASP A 93 6.356 3.777 -1.324 1.00 0.00 N ATOM 1402 CA ASP A 93 7.272 2.658 -1.135 1.00 0.00 C ATOM 1403 C ASP A 93 6.533 1.436 -0.596 1.00 0.00 C ATOM 1404 O ASP A 93 6.245 1.350 0.598 1.00 0.00 O ATOM 1405 CB ASP A 93 8.400 3.050 -0.181 1.00 0.00 C ATOM 1406 CG ASP A 93 9.515 3.803 -0.880 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.221 4.525 -1.855 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.681 3.669 -0.453 1.00 0.00 O ATOM 0 H ASP A 93 6.759 4.691 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 93 7.700 2.403 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.995 3.668 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.808 2.152 0.283 1.00 0.00 H new ATOM 1413 N SER A 94 6.230 0.495 -1.483 1.00 0.00 N ATOM 1414 CA SER A 94 5.521 -0.720 -1.097 1.00 0.00 C ATOM 1415 C SER A 94 6.051 -1.260 0.227 1.00 0.00 C ATOM 1416 O SER A 94 7.134 -0.884 0.676 1.00 0.00 O ATOM 1417 CB SER A 94 5.659 -1.784 -2.187 1.00 0.00 C ATOM 1418 OG SER A 94 7.000 -2.229 -2.300 1.00 0.00 O ATOM 0 H SER A 94 6.464 0.550 -2.474 1.00 0.00 H new ATOM 0 HA SER A 94 4.467 -0.473 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.010 -2.629 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.326 -1.376 -3.142 1.00 0.00 H new ATOM 0 HG SER A 94 7.061 -2.910 -3.002 1.00 0.00 H new ATOM 1424 N LYS A 95 5.280 -2.146 0.849 1.00 0.00 N ATOM 1425 CA LYS A 95 5.669 -2.741 2.121 1.00 0.00 C ATOM 1426 C LYS A 95 5.329 -4.228 2.154 1.00 0.00 C ATOM 1427 O LYS A 95 4.192 -4.619 1.890 1.00 0.00 O ATOM 1428 CB LYS A 95 4.973 -2.022 3.279 1.00 0.00 C ATOM 1429 CG LYS A 95 5.440 -0.590 3.475 1.00 0.00 C ATOM 1430 CD LYS A 95 6.794 -0.534 4.162 1.00 0.00 C ATOM 1431 CE LYS A 95 7.586 0.692 3.736 1.00 0.00 C ATOM 1432 NZ LYS A 95 8.984 0.656 4.248 1.00 0.00 N ATOM 0 H LYS A 95 4.381 -2.468 0.491 1.00 0.00 H new ATOM 0 HA LYS A 95 6.748 -2.631 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.897 -2.023 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.146 -2.581 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.501 -0.091 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.707 -0.045 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.654 -0.520 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.361 -1.435 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.599 0.755 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.089 1.590 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.490 1.509 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.972 0.621 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.467 -0.188 3.879 1.00 0.00 H new ATOM 1446 N SER A 96 6.320 -5.050 2.480 1.00 0.00 N ATOM 1447 CA SER A 96 6.126 -6.494 2.545 1.00 0.00 C ATOM 1448 C SER A 96 5.998 -6.961 3.992 1.00 0.00 C ATOM 1449 O SER A 96 6.708 -6.479 4.875 1.00 0.00 O ATOM 1450 CB SER A 96 7.289 -7.218 1.864 1.00 0.00 C ATOM 1451 OG SER A 96 8.532 -6.655 2.244 1.00 0.00 O ATOM 0 H SER A 96 7.266 -4.741 2.703 1.00 0.00 H new ATOM 0 HA SER A 96 5.201 -6.735 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.269 -8.275 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.175 -7.159 0.782 1.00 0.00 H new ATOM 0 HG SER A 96 9.259 -7.136 1.797 1.00 0.00 H new ATOM 1457 N ILE A 97 5.089 -7.901 4.226 1.00 0.00 N ATOM 1458 CA ILE A 97 4.869 -8.434 5.565 1.00 0.00 C ATOM 1459 C ILE A 97 4.452 -9.900 5.511 1.00 0.00 C ATOM 1460 O ILE A 97 3.726 -10.318 4.609 1.00 0.00 O ATOM 1461 CB ILE A 97 3.793 -7.633 6.320 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.793 -8.008 7.803 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.422 -7.878 5.706 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.813 -7.205 8.630 1.00 0.00 C ATOM 0 H ILE A 97 4.493 -8.309 3.506 1.00 0.00 H new ATOM 0 HA ILE A 97 5.815 -8.347 6.099 1.00 0.00 H new ATOM 0 HB ILE A 97 4.024 -6.571 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.556 -9.067 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.796 -7.867 8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.672 -7.305 6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.430 -7.565 4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.181 -8.939 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.868 -7.525 9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.062 -6.146 8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.803 -7.365 8.254 1.00 0.00 H new ATOM 1476 N THR A 98 4.915 -10.677 6.485 1.00 0.00 N ATOM 1477 CA THR A 98 4.590 -12.096 6.550 1.00 0.00 C ATOM 1478 C THR A 98 3.419 -12.350 7.494 1.00 0.00 C ATOM 1479 O THR A 98 3.591 -12.406 8.712 1.00 0.00 O ATOM 1480 CB THR A 98 5.799 -12.929 7.016 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.839 -12.874 6.033 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.399 -14.377 7.257 1.00 0.00 C ATOM 0 H THR A 98 5.516 -10.347 7.240 1.00 0.00 H new ATOM 0 HA THR A 98 4.314 -12.403 5.541 1.00 0.00 H new ATOM 0 HB THR A 98 6.162 -12.508 7.954 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.605 -13.404 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.269 -14.945 7.585 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.628 -14.418 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.013 -14.807 6.333 1.00 0.00 H new ATOM 1490 N THR A 99 2.228 -12.503 6.924 1.00 0.00 N ATOM 1491 CA THR A 99 1.029 -12.750 7.714 1.00 0.00 C ATOM 1492 C THR A 99 1.281 -13.810 8.780 1.00 0.00 C ATOM 1493 O THR A 99 2.329 -14.458 8.788 1.00 0.00 O ATOM 1494 CB THR A 99 -0.146 -13.201 6.826 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.325 -14.081 5.799 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.839 -12.002 6.195 1.00 0.00 C ATOM 0 H THR A 99 2.068 -12.460 5.917 1.00 0.00 H new ATOM 0 HA THR A 99 0.770 -11.808 8.197 1.00 0.00 H new ATOM 0 HB THR A 99 -0.865 -13.728 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.424 -14.345 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.665 -12.345 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.222 -11.349 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.126 -11.452 5.581 1.00 0.00 H new ATOM 1504 N ILE A 100 0.316 -13.983 9.676 1.00 0.00 N ATOM 1505 CA ILE A 100 0.434 -14.967 10.745 1.00 0.00 C ATOM 1506 C ILE A 100 -0.784 -15.883 10.786 1.00 0.00 C ATOM 1507 O ILE A 100 -1.875 -15.503 10.361 1.00 0.00 O ATOM 1508 CB ILE A 100 0.598 -14.289 12.119 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.686 -13.553 12.505 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.779 -13.330 12.098 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.728 -13.132 13.958 1.00 0.00 C ATOM 0 H ILE A 100 -0.556 -13.455 9.683 1.00 0.00 H new ATOM 0 HA ILE A 100 1.324 -15.559 10.532 1.00 0.00 H new ATOM 0 HB ILE A 100 0.792 -15.058 12.867 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.792 -12.669 11.876 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.541 -14.197 12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.882 -12.859 13.075 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.690 -13.880 11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.612 -12.563 11.341 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.667 -12.616 14.160 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.654 -14.014 14.595 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.106 -12.463 14.167 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.590 -17.092 11.302 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.673 -18.064 11.402 1.00 0.00 C ATOM 1525 C LYS A 101 -2.171 -18.177 12.839 1.00 0.00 C ATOM 1526 O LYS A 101 -1.750 -19.061 13.584 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.204 -19.433 10.904 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.141 -20.569 11.277 1.00 0.00 C ATOM 1529 CD LYS A 101 -2.103 -21.685 10.245 1.00 0.00 C ATOM 1530 CE LYS A 101 -2.429 -23.033 10.870 1.00 0.00 C ATOM 1531 NZ LYS A 101 -1.220 -23.684 11.446 1.00 0.00 N ATOM 0 H LYS A 101 0.307 -17.422 11.658 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.497 -17.719 10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.100 -19.400 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.215 -19.640 11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.863 -20.966 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.159 -20.188 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.816 -21.470 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.115 -21.725 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.177 -22.900 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.869 -23.686 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.484 -24.600 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.516 -23.835 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.815 -23.073 12.183 1.00 0.00 H new ATOM 1545 N GLY A 102 -3.072 -17.277 13.221 1.00 0.00 N ATOM 1546 CA GLY A 102 -3.614 -17.295 14.567 1.00 0.00 C ATOM 1547 C GLY A 102 -2.986 -16.242 15.459 1.00 0.00 C ATOM 1548 O GLY A 102 -1.887 -15.760 15.183 1.00 0.00 O ATOM 0 H GLY A 102 -3.436 -16.536 12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.691 -17.135 14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.456 -18.280 15.006 1.00 0.00 H new ATOM 1552 N SER A 103 -3.685 -15.883 16.531 1.00 0.00 N ATOM 1553 CA SER A 103 -3.192 -14.876 17.463 1.00 0.00 C ATOM 1554 C SER A 103 -3.142 -15.429 18.884 1.00 0.00 C ATOM 1555 O SER A 103 -3.556 -14.767 19.834 1.00 0.00 O ATOM 1556 CB SER A 103 -4.080 -13.631 17.419 1.00 0.00 C ATOM 1557 OG SER A 103 -5.427 -13.955 17.713 1.00 0.00 O ATOM 0 H SER A 103 -4.595 -16.275 16.776 1.00 0.00 H new ATOM 0 HA SER A 103 -2.181 -14.603 17.162 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.715 -12.895 18.135 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.020 -13.172 16.432 1.00 0.00 H new ATOM 0 HG SER A 103 -6.006 -13.206 17.460 1.00 0.00 H new ATOM 1563 N GLY A 104 -2.632 -16.649 19.020 1.00 0.00 N ATOM 1564 CA GLY A 104 -2.537 -17.272 20.327 1.00 0.00 C ATOM 1565 C GLY A 104 -3.761 -18.099 20.665 1.00 0.00 C ATOM 1566 O GLY A 104 -4.506 -18.533 19.786 1.00 0.00 O ATOM 0 H GLY A 104 -2.283 -17.217 18.248 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.652 -17.908 20.360 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.403 -16.500 21.085 1.00 0.00 H new ATOM 1570 N PRO A 105 -3.983 -18.329 21.968 1.00 0.00 N ATOM 1571 CA PRO A 105 -5.125 -19.112 22.450 1.00 0.00 C ATOM 1572 C PRO A 105 -6.451 -18.386 22.252 1.00 0.00 C ATOM 1573 O PRO A 105 -6.488 -17.161 22.136 1.00 0.00 O ATOM 1574 CB PRO A 105 -4.829 -19.288 23.942 1.00 0.00 C ATOM 1575 CG PRO A 105 -3.961 -18.131 24.295 1.00 0.00 C ATOM 1576 CD PRO A 105 -3.137 -17.842 23.071 1.00 0.00 C ATOM 0 HA PRO A 105 -5.233 -20.052 21.909 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.747 -19.288 24.530 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.325 -20.235 24.137 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -4.560 -17.265 24.575 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -3.324 -18.367 25.147 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.922 -16.778 22.973 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.178 -18.359 23.101 1.00 0.00 H new ATOM 1584 N SER A 106 -7.539 -19.149 22.215 1.00 0.00 N ATOM 1585 CA SER A 106 -8.867 -18.579 22.027 1.00 0.00 C ATOM 1586 C SER A 106 -9.832 -19.087 23.094 1.00 0.00 C ATOM 1587 O SER A 106 -10.391 -20.177 22.973 1.00 0.00 O ATOM 1588 CB SER A 106 -9.401 -18.922 20.635 1.00 0.00 C ATOM 1589 OG SER A 106 -9.530 -20.323 20.470 1.00 0.00 O ATOM 0 H SER A 106 -7.526 -20.164 22.313 1.00 0.00 H new ATOM 0 HA SER A 106 -8.787 -17.496 22.120 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.369 -18.444 20.486 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.728 -18.524 19.876 1.00 0.00 H new ATOM 0 HG SER A 106 -9.857 -20.722 21.303 1.00 0.00 H new ATOM 1595 N SER A 107 -10.023 -18.288 24.140 1.00 0.00 N ATOM 1596 CA SER A 107 -10.917 -18.657 25.231 1.00 0.00 C ATOM 1597 C SER A 107 -11.733 -17.455 25.695 1.00 0.00 C ATOM 1598 O SER A 107 -11.444 -16.316 25.330 1.00 0.00 O ATOM 1599 CB SER A 107 -10.117 -19.228 26.403 1.00 0.00 C ATOM 1600 OG SER A 107 -9.425 -20.405 26.024 1.00 0.00 O ATOM 0 H SER A 107 -9.570 -17.381 24.254 1.00 0.00 H new ATOM 0 HA SER A 107 -11.603 -19.420 24.863 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.405 -18.483 26.759 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.789 -19.449 27.232 1.00 0.00 H new ATOM 0 HG SER A 107 -8.920 -20.749 26.790 1.00 0.00 H new ATOM 1606 N GLY A 108 -12.755 -17.718 26.503 1.00 0.00 N ATOM 1607 CA GLY A 108 -13.599 -16.648 27.005 1.00 0.00 C ATOM 1608 C GLY A 108 -13.773 -16.704 28.509 1.00 0.00 C ATOM 1609 O GLY A 108 -14.381 -15.815 29.104 1.00 0.00 O ATOM 0 H GLY A 108 -13.014 -18.652 26.819 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.165 -15.687 26.728 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.577 -16.706 26.527 1.00 0.00 H new TER 1613 GLY A 108