USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 45 HIS : no HD1:sc= -1.08 K(o=-0.17,f=-3.1) USER MOD Set 1.2: A 49 ASN : amide:sc= 0.909 K(o=-0.17,f=-0.97) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.84 K(o=-1.6,f=-2.9!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.106 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.15) USER MOD Single : A 16 MET CE :methyl 173:sc= -0.391 (180deg=-0.469) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 47:sc= -0.0389 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.402 USER MOD Single : A 36 ASN : amide:sc=-0.00574 X(o=-0.0057,f=-0.12) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 75:sc= 0.123 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0792 F(o=-0.6,f=-0.079) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -150:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00508 X(o=-0.0051,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.325 K(o=-0.33,f=-2.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 161:sc= -5.08 (180deg=-7.07!) USER MOD Single : A 94 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.1) USER MOD Single : A 100 THR OG1 : rot -65:sc= 1.32 USER MOD Single : A 105 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.35) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.13) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.744 F(o=-1.2,f=-0.74) USER MOD Single : A 111 SER OG : rot 60:sc= 0.0965 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.926 -25.020 -16.902 1.00 0.00 N ATOM 2 CA GLY A 1 -33.773 -24.023 -17.948 1.00 0.00 C ATOM 3 C GLY A 1 -32.339 -23.489 -17.990 1.00 0.00 C ATOM 4 O GLY A 1 -31.485 -23.931 -17.223 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.272 -25.909 -17.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.007 -25.187 -16.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.608 -24.679 -16.195 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.031 -24.460 -18.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.467 -23.200 -17.775 1.00 0.00 H new ATOM 8 N SER A 2 -32.120 -22.546 -18.894 1.00 0.00 N ATOM 9 CA SER A 2 -30.805 -21.947 -19.047 1.00 0.00 C ATOM 10 C SER A 2 -30.929 -20.424 -19.127 1.00 0.00 C ATOM 11 O SER A 2 -32.008 -19.899 -19.401 1.00 0.00 O ATOM 12 CB SER A 2 -30.094 -22.487 -20.289 1.00 0.00 C ATOM 13 OG SER A 2 -28.698 -22.670 -20.068 1.00 0.00 O ATOM 0 H SER A 2 -32.831 -22.182 -19.528 1.00 0.00 H new ATOM 0 HA SER A 2 -30.206 -22.211 -18.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.543 -23.437 -20.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.242 -21.797 -21.120 1.00 0.00 H new ATOM 0 HG SER A 2 -28.280 -23.017 -20.884 1.00 0.00 H new ATOM 19 N SER A 3 -29.811 -19.757 -18.882 1.00 0.00 N ATOM 20 CA SER A 3 -29.782 -18.305 -18.923 1.00 0.00 C ATOM 21 C SER A 3 -28.334 -17.812 -18.977 1.00 0.00 C ATOM 22 O SER A 3 -27.945 -17.117 -19.914 1.00 0.00 O ATOM 23 CB SER A 3 -30.502 -17.705 -17.714 1.00 0.00 C ATOM 24 OG SER A 3 -30.804 -16.325 -17.903 1.00 0.00 O ATOM 0 H SER A 3 -28.919 -20.195 -18.654 1.00 0.00 H new ATOM 0 HA SER A 3 -30.305 -17.978 -19.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.424 -18.256 -17.531 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.880 -17.822 -16.827 1.00 0.00 H new ATOM 0 HG SER A 3 -31.265 -15.979 -17.110 1.00 0.00 H new ATOM 30 N GLY A 4 -27.576 -18.191 -17.958 1.00 0.00 N ATOM 31 CA GLY A 4 -26.180 -17.796 -17.878 1.00 0.00 C ATOM 32 C GLY A 4 -25.944 -16.854 -16.695 1.00 0.00 C ATOM 33 O GLY A 4 -26.287 -17.180 -15.560 1.00 0.00 O ATOM 0 H GLY A 4 -27.902 -18.767 -17.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.553 -18.682 -17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.884 -17.304 -18.804 1.00 0.00 H new ATOM 37 N SER A 5 -25.359 -15.706 -17.002 1.00 0.00 N ATOM 38 CA SER A 5 -25.074 -14.714 -15.979 1.00 0.00 C ATOM 39 C SER A 5 -24.189 -15.326 -14.890 1.00 0.00 C ATOM 40 O SER A 5 -24.691 -15.940 -13.950 1.00 0.00 O ATOM 41 CB SER A 5 -26.364 -14.166 -15.368 1.00 0.00 C ATOM 42 OG SER A 5 -26.767 -12.943 -15.979 1.00 0.00 O ATOM 0 H SER A 5 -25.074 -15.440 -17.945 1.00 0.00 H new ATOM 0 HA SER A 5 -24.544 -13.884 -16.446 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.159 -14.904 -15.476 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.220 -14.007 -14.299 1.00 0.00 H new ATOM 0 HG SER A 5 -27.596 -12.627 -15.562 1.00 0.00 H new ATOM 48 N SER A 6 -22.888 -15.137 -15.054 1.00 0.00 N ATOM 49 CA SER A 6 -21.929 -15.663 -14.097 1.00 0.00 C ATOM 50 C SER A 6 -20.891 -14.592 -13.755 1.00 0.00 C ATOM 51 O SER A 6 -20.553 -13.759 -14.594 1.00 0.00 O ATOM 52 CB SER A 6 -21.239 -16.916 -14.640 1.00 0.00 C ATOM 53 OG SER A 6 -20.958 -17.859 -13.610 1.00 0.00 O ATOM 0 H SER A 6 -22.475 -14.627 -15.835 1.00 0.00 H new ATOM 0 HA SER A 6 -22.467 -15.942 -13.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.874 -17.381 -15.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.310 -16.633 -15.135 1.00 0.00 H new ATOM 0 HG SER A 6 -20.519 -18.645 -13.997 1.00 0.00 H new ATOM 59 N GLY A 7 -20.415 -14.649 -12.520 1.00 0.00 N ATOM 60 CA GLY A 7 -19.423 -13.695 -12.056 1.00 0.00 C ATOM 61 C GLY A 7 -19.940 -12.909 -10.849 1.00 0.00 C ATOM 62 O GLY A 7 -20.539 -11.846 -11.006 1.00 0.00 O ATOM 0 H GLY A 7 -20.698 -15.341 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.506 -14.220 -11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.171 -13.006 -12.862 1.00 0.00 H new ATOM 66 N MET A 8 -19.690 -13.462 -9.671 1.00 0.00 N ATOM 67 CA MET A 8 -20.123 -12.826 -8.439 1.00 0.00 C ATOM 68 C MET A 8 -18.926 -12.488 -7.546 1.00 0.00 C ATOM 69 O MET A 8 -18.489 -13.317 -6.749 1.00 0.00 O ATOM 70 CB MET A 8 -21.072 -13.761 -7.688 1.00 0.00 C ATOM 71 CG MET A 8 -22.528 -13.488 -8.072 1.00 0.00 C ATOM 72 SD MET A 8 -23.457 -15.012 -8.067 1.00 0.00 S ATOM 73 CE MET A 8 -23.860 -15.125 -6.332 1.00 0.00 C ATOM 0 H MET A 8 -19.193 -14.344 -9.544 1.00 0.00 H new ATOM 0 HA MET A 8 -20.637 -11.899 -8.692 1.00 0.00 H new ATOM 0 HB2 MET A 8 -20.821 -14.797 -7.913 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.944 -13.628 -6.614 1.00 0.00 H new ATOM 0 HG2 MET A 8 -22.971 -12.780 -7.371 1.00 0.00 H new ATOM 0 HG3 MET A 8 -22.572 -13.029 -9.060 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.444 -16.027 -6.152 1.00 0.00 H new ATOM 0 HE2 MET A 8 -22.941 -15.165 -5.747 1.00 0.00 H new ATOM 0 HE3 MET A 8 -24.441 -14.252 -6.036 1.00 0.00 H new ATOM 83 N SER A 9 -18.431 -11.271 -7.711 1.00 0.00 N ATOM 84 CA SER A 9 -17.294 -10.814 -6.930 1.00 0.00 C ATOM 85 C SER A 9 -17.701 -9.620 -6.063 1.00 0.00 C ATOM 86 O SER A 9 -18.253 -8.643 -6.565 1.00 0.00 O ATOM 87 CB SER A 9 -16.120 -10.436 -7.835 1.00 0.00 C ATOM 88 OG SER A 9 -14.863 -10.664 -7.203 1.00 0.00 O ATOM 0 H SER A 9 -18.796 -10.587 -8.374 1.00 0.00 H new ATOM 0 HA SER A 9 -16.972 -11.631 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.172 -11.015 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.201 -9.385 -8.113 1.00 0.00 H new ATOM 0 HG SER A 9 -14.139 -10.412 -7.814 1.00 0.00 H new ATOM 94 N SER A 10 -17.411 -9.739 -4.775 1.00 0.00 N ATOM 95 CA SER A 10 -17.739 -8.683 -3.834 1.00 0.00 C ATOM 96 C SER A 10 -16.772 -8.718 -2.649 1.00 0.00 C ATOM 97 O SER A 10 -15.942 -7.823 -2.494 1.00 0.00 O ATOM 98 CB SER A 10 -19.183 -8.811 -3.343 1.00 0.00 C ATOM 99 OG SER A 10 -19.868 -7.562 -3.367 1.00 0.00 O ATOM 0 H SER A 10 -16.952 -10.551 -4.362 1.00 0.00 H new ATOM 0 HA SER A 10 -17.641 -7.726 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.716 -9.529 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.187 -9.207 -2.327 1.00 0.00 H new ATOM 0 HG SER A 10 -20.786 -7.686 -3.048 1.00 0.00 H new ATOM 105 N HIS A 11 -16.910 -9.761 -1.844 1.00 0.00 N ATOM 106 CA HIS A 11 -16.058 -9.924 -0.678 1.00 0.00 C ATOM 107 C HIS A 11 -14.654 -10.337 -1.122 1.00 0.00 C ATOM 108 O HIS A 11 -14.500 -11.115 -2.063 1.00 0.00 O ATOM 109 CB HIS A 11 -16.680 -10.909 0.315 1.00 0.00 C ATOM 110 CG HIS A 11 -17.155 -10.269 1.598 1.00 0.00 C ATOM 111 ND1 HIS A 11 -17.242 -10.961 2.793 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.568 -8.996 1.859 1.00 0.00 C ATOM 113 CE1 HIS A 11 -17.689 -10.132 3.725 1.00 0.00 C ATOM 114 NE2 HIS A 11 -17.890 -8.915 3.144 1.00 0.00 N ATOM 0 H HIS A 11 -17.599 -10.502 -1.976 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.970 -8.974 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.522 -11.409 -0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.947 -11.679 0.555 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -17.624 -8.190 1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.863 -10.377 4.762 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -18.232 -8.080 3.619 1.00 0.00 H new ATOM 122 N VAL A 12 -13.665 -9.798 -0.425 1.00 0.00 N ATOM 123 CA VAL A 12 -12.278 -10.101 -0.736 1.00 0.00 C ATOM 124 C VAL A 12 -11.991 -11.565 -0.395 1.00 0.00 C ATOM 125 O VAL A 12 -12.395 -12.051 0.660 1.00 0.00 O ATOM 126 CB VAL A 12 -11.353 -9.125 -0.006 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.884 -9.460 -0.272 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.665 -7.679 -0.395 1.00 0.00 C ATOM 0 H VAL A 12 -13.796 -9.153 0.354 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.089 -9.972 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.532 -9.230 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.247 -8.752 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.672 -10.470 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.684 -9.397 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.993 -7.006 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.528 -7.553 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.697 -7.446 -0.131 1.00 0.00 H new ATOM 138 N PRO A 13 -11.278 -12.244 -1.333 1.00 0.00 N ATOM 139 CA PRO A 13 -10.933 -13.643 -1.142 1.00 0.00 C ATOM 140 C PRO A 13 -9.802 -13.794 -0.122 1.00 0.00 C ATOM 141 O PRO A 13 -9.403 -12.822 0.516 1.00 0.00 O ATOM 142 CB PRO A 13 -10.556 -14.147 -2.526 1.00 0.00 C ATOM 143 CG PRO A 13 -10.256 -12.908 -3.354 1.00 0.00 C ATOM 144 CD PRO A 13 -10.783 -11.701 -2.594 1.00 0.00 C ATOM 0 HA PRO A 13 -11.756 -14.227 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.688 -14.805 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.369 -14.724 -2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.184 -12.813 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.730 -12.979 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.997 -10.964 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.577 -11.200 -3.148 1.00 0.00 H new ATOM 152 N ALA A 14 -9.318 -15.022 -0.001 1.00 0.00 N ATOM 153 CA ALA A 14 -8.242 -15.313 0.931 1.00 0.00 C ATOM 154 C ALA A 14 -6.959 -15.598 0.147 1.00 0.00 C ATOM 155 O ALA A 14 -5.950 -15.997 0.726 1.00 0.00 O ATOM 156 CB ALA A 14 -8.648 -16.482 1.831 1.00 0.00 C ATOM 0 H ALA A 14 -9.651 -15.826 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.051 -14.456 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.841 -16.700 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.548 -16.218 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.845 -17.362 1.218 1.00 0.00 H new ATOM 162 N ASP A 15 -7.040 -15.383 -1.157 1.00 0.00 N ATOM 163 CA ASP A 15 -5.898 -15.611 -2.026 1.00 0.00 C ATOM 164 C ASP A 15 -5.353 -14.266 -2.510 1.00 0.00 C ATOM 165 O ASP A 15 -4.191 -14.168 -2.901 1.00 0.00 O ATOM 166 CB ASP A 15 -6.296 -16.431 -3.255 1.00 0.00 C ATOM 167 CG ASP A 15 -5.260 -17.461 -3.709 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.093 -17.317 -3.286 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.660 -18.370 -4.469 1.00 0.00 O ATOM 0 H ASP A 15 -7.879 -15.053 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.145 -16.157 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.231 -16.949 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.493 -15.747 -4.081 1.00 0.00 H new ATOM 174 N MET A 16 -6.218 -13.264 -2.469 1.00 0.00 N ATOM 175 CA MET A 16 -5.839 -11.929 -2.899 1.00 0.00 C ATOM 176 C MET A 16 -5.701 -10.986 -1.702 1.00 0.00 C ATOM 177 O MET A 16 -6.074 -11.338 -0.583 1.00 0.00 O ATOM 178 CB MET A 16 -6.895 -11.382 -3.861 1.00 0.00 C ATOM 179 CG MET A 16 -7.014 -12.265 -5.105 1.00 0.00 C ATOM 180 SD MET A 16 -7.540 -11.285 -6.501 1.00 0.00 S ATOM 181 CE MET A 16 -5.995 -10.503 -6.931 1.00 0.00 C ATOM 0 H MET A 16 -7.181 -13.350 -2.144 1.00 0.00 H new ATOM 0 HA MET A 16 -4.874 -11.991 -3.403 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.859 -11.328 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.632 -10.366 -4.156 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.054 -12.735 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.728 -13.068 -4.924 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.114 -9.949 -7.862 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.700 -9.818 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.225 -11.264 -7.058 1.00 0.00 H new ATOM 191 N ILE A 17 -5.164 -9.806 -1.977 1.00 0.00 N ATOM 192 CA ILE A 17 -4.973 -8.810 -0.937 1.00 0.00 C ATOM 193 C ILE A 17 -5.625 -7.495 -1.369 1.00 0.00 C ATOM 194 O ILE A 17 -5.291 -6.948 -2.419 1.00 0.00 O ATOM 195 CB ILE A 17 -3.489 -8.675 -0.591 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.923 -10.000 -0.074 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.257 -7.530 0.397 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.512 -10.241 -0.612 1.00 0.00 C ATOM 0 H ILE A 17 -4.855 -9.518 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.465 -9.123 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.948 -8.427 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.904 -9.991 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.575 -10.820 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.194 -7.457 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.599 -6.594 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.813 -7.723 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.134 -11.189 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.539 -10.274 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.857 -9.432 -0.290 1.00 0.00 H new ATOM 210 N ASN A 18 -6.544 -7.027 -0.538 1.00 0.00 N ATOM 211 CA ASN A 18 -7.247 -5.787 -0.821 1.00 0.00 C ATOM 212 C ASN A 18 -6.377 -4.603 -0.392 1.00 0.00 C ATOM 213 O ASN A 18 -5.914 -4.549 0.747 1.00 0.00 O ATOM 214 CB ASN A 18 -8.564 -5.710 -0.047 1.00 0.00 C ATOM 215 CG ASN A 18 -9.659 -5.054 -0.891 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.743 -5.234 -2.094 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.490 -4.284 -0.194 1.00 0.00 N ATOM 0 H ASN A 18 -6.818 -7.484 0.332 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.455 -5.755 -1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.877 -6.712 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.418 -5.141 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.255 -3.801 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.363 -4.177 0.812 1.00 0.00 H new ATOM 224 N LEU A 19 -6.180 -3.685 -1.326 1.00 0.00 N ATOM 225 CA LEU A 19 -5.374 -2.506 -1.058 1.00 0.00 C ATOM 226 C LEU A 19 -6.249 -1.256 -1.182 1.00 0.00 C ATOM 227 O LEU A 19 -7.110 -1.181 -2.057 1.00 0.00 O ATOM 228 CB LEU A 19 -4.140 -2.484 -1.962 1.00 0.00 C ATOM 229 CG LEU A 19 -2.970 -3.366 -1.520 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.213 -2.729 -0.353 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.445 -4.783 -1.191 1.00 0.00 C ATOM 0 H LEU A 19 -6.565 -3.733 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.993 -2.529 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.442 -2.790 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.786 -1.456 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.270 -3.446 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.387 -3.376 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.822 -1.759 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.890 -2.598 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.594 -5.389 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.177 -4.743 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.903 -5.228 -2.075 1.00 0.00 H new ATOM 243 N ARG A 20 -5.997 -0.306 -0.293 1.00 0.00 N ATOM 244 CA ARG A 20 -6.751 0.936 -0.292 1.00 0.00 C ATOM 245 C ARG A 20 -5.891 2.079 -0.834 1.00 0.00 C ATOM 246 O ARG A 20 -4.965 2.536 -0.164 1.00 0.00 O ATOM 247 CB ARG A 20 -7.228 1.289 1.118 1.00 0.00 C ATOM 248 CG ARG A 20 -8.754 1.236 1.210 1.00 0.00 C ATOM 249 CD ARG A 20 -9.235 1.664 2.598 1.00 0.00 C ATOM 250 NE ARG A 20 -10.675 1.359 2.751 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.402 1.684 3.829 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.827 2.326 4.855 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.703 1.367 3.881 1.00 0.00 N ATOM 0 H ARG A 20 -5.282 -0.372 0.431 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.621 0.797 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.792 0.595 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.878 2.286 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.190 1.888 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.100 0.224 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.661 1.146 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.064 2.731 2.738 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.144 0.871 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.837 2.567 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.380 2.574 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.140 0.878 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.256 1.615 4.702 1.00 0.00 H new ATOM 267 N LEU A 21 -6.226 2.509 -2.041 1.00 0.00 N ATOM 268 CA LEU A 21 -5.496 3.590 -2.681 1.00 0.00 C ATOM 269 C LEU A 21 -6.079 4.931 -2.229 1.00 0.00 C ATOM 270 O LEU A 21 -7.295 5.110 -2.218 1.00 0.00 O ATOM 271 CB LEU A 21 -5.485 3.405 -4.199 1.00 0.00 C ATOM 272 CG LEU A 21 -4.628 2.253 -4.729 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.196 2.717 -5.005 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.669 1.057 -3.776 1.00 0.00 C ATOM 0 H LEU A 21 -6.994 2.128 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.450 3.577 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.511 3.252 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.136 4.331 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.048 1.923 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.608 1.879 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.209 3.514 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.750 3.089 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.052 0.252 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.287 1.356 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.697 0.709 -3.673 1.00 0.00 H new ATOM 286 N ILE A 22 -5.183 5.837 -1.867 1.00 0.00 N ATOM 287 CA ILE A 22 -5.593 7.156 -1.415 1.00 0.00 C ATOM 288 C ILE A 22 -4.618 8.202 -1.957 1.00 0.00 C ATOM 289 O ILE A 22 -3.478 8.288 -1.503 1.00 0.00 O ATOM 290 CB ILE A 22 -5.737 7.180 0.108 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.646 6.048 0.590 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.220 8.549 0.591 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.754 6.044 2.117 1.00 0.00 C ATOM 0 H ILE A 22 -4.175 5.684 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.579 7.404 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.754 7.012 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.638 6.161 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.254 5.091 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.314 8.539 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.501 9.313 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.189 8.771 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.406 5.230 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.764 5.906 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.169 6.993 2.455 1.00 0.00 H new ATOM 305 N LEU A 23 -5.101 8.973 -2.921 1.00 0.00 N ATOM 306 CA LEU A 23 -4.286 10.010 -3.530 1.00 0.00 C ATOM 307 C LEU A 23 -4.645 11.363 -2.912 1.00 0.00 C ATOM 308 O LEU A 23 -3.983 11.820 -1.982 1.00 0.00 O ATOM 309 CB LEU A 23 -4.422 9.974 -5.053 1.00 0.00 C ATOM 310 CG LEU A 23 -3.568 10.980 -5.827 1.00 0.00 C ATOM 311 CD1 LEU A 23 -2.181 10.406 -6.126 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.283 11.443 -7.098 1.00 0.00 C ATOM 0 H LEU A 23 -6.047 8.900 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.230 9.835 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.168 8.971 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.468 10.143 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.424 11.860 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.594 11.141 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.677 10.167 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.283 9.501 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.654 12.157 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.478 10.584 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.227 11.918 -6.832 1.00 0.00 H new ATOM 324 N VAL A 24 -5.692 11.966 -3.456 1.00 0.00 N ATOM 325 CA VAL A 24 -6.148 13.258 -2.970 1.00 0.00 C ATOM 326 C VAL A 24 -7.639 13.176 -2.638 1.00 0.00 C ATOM 327 O VAL A 24 -8.251 12.117 -2.769 1.00 0.00 O ATOM 328 CB VAL A 24 -5.821 14.347 -3.994 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.338 14.321 -4.368 1.00 0.00 C ATOM 330 CG2 VAL A 24 -6.703 14.211 -5.237 1.00 0.00 C ATOM 0 H VAL A 24 -6.238 11.584 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.626 13.527 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.033 15.313 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.133 15.105 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.735 14.488 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.088 13.351 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.451 14.996 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.536 13.237 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.751 14.303 -4.951 1.00 0.00 H new ATOM 340 N SER A 25 -8.181 14.309 -2.215 1.00 0.00 N ATOM 341 CA SER A 25 -9.589 14.379 -1.864 1.00 0.00 C ATOM 342 C SER A 25 -9.846 13.602 -0.571 1.00 0.00 C ATOM 343 O SER A 25 -10.186 14.191 0.454 1.00 0.00 O ATOM 344 CB SER A 25 -10.467 13.834 -2.993 1.00 0.00 C ATOM 345 OG SER A 25 -11.825 14.243 -2.859 1.00 0.00 O ATOM 0 H SER A 25 -7.670 15.185 -2.108 1.00 0.00 H new ATOM 0 HA SER A 25 -9.850 15.426 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.078 14.177 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.415 12.745 -2.999 1.00 0.00 H new ATOM 0 HG SER A 25 -12.352 13.876 -3.600 1.00 0.00 H new ATOM 351 N GLY A 26 -9.671 12.292 -0.661 1.00 0.00 N ATOM 352 CA GLY A 26 -9.880 11.428 0.489 1.00 0.00 C ATOM 353 C GLY A 26 -10.401 10.056 0.057 1.00 0.00 C ATOM 354 O GLY A 26 -9.842 9.028 0.435 1.00 0.00 O ATOM 0 H GLY A 26 -9.387 11.808 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.944 11.310 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.591 11.892 1.173 1.00 0.00 H new ATOM 358 N LYS A 27 -11.468 10.085 -0.729 1.00 0.00 N ATOM 359 CA LYS A 27 -12.071 8.856 -1.216 1.00 0.00 C ATOM 360 C LYS A 27 -10.968 7.868 -1.599 1.00 0.00 C ATOM 361 O LYS A 27 -10.084 8.194 -2.389 1.00 0.00 O ATOM 362 CB LYS A 27 -13.050 9.155 -2.354 1.00 0.00 C ATOM 363 CG LYS A 27 -14.457 9.418 -1.812 1.00 0.00 C ATOM 364 CD LYS A 27 -15.211 8.106 -1.584 1.00 0.00 C ATOM 365 CE LYS A 27 -16.692 8.367 -1.303 1.00 0.00 C ATOM 366 NZ LYS A 27 -17.482 8.264 -2.551 1.00 0.00 N ATOM 0 H LYS A 27 -11.930 10.940 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.663 8.385 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.705 10.022 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.075 8.314 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.392 9.972 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -15.010 10.042 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.111 7.467 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.767 7.568 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -17.062 7.649 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.816 9.358 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -18.485 8.444 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.140 8.966 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.377 7.310 -2.950 1.00 0.00 H new ATOM 380 N THR A 28 -11.056 6.679 -1.019 1.00 0.00 N ATOM 381 CA THR A 28 -10.076 5.641 -1.289 1.00 0.00 C ATOM 382 C THR A 28 -10.577 4.709 -2.393 1.00 0.00 C ATOM 383 O THR A 28 -11.770 4.681 -2.694 1.00 0.00 O ATOM 384 CB THR A 28 -9.777 4.919 0.027 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.789 3.954 -0.323 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.960 4.081 0.516 1.00 0.00 C ATOM 0 H THR A 28 -11.791 6.412 -0.364 1.00 0.00 H new ATOM 0 HA THR A 28 -9.144 6.065 -1.663 1.00 0.00 H new ATOM 0 HB THR A 28 -9.510 5.650 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.097 4.379 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.696 3.590 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.823 4.728 0.676 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.206 3.327 -0.232 1.00 0.00 H new ATOM 394 N LYS A 29 -9.641 3.968 -2.968 1.00 0.00 N ATOM 395 CA LYS A 29 -9.973 3.037 -4.033 1.00 0.00 C ATOM 396 C LYS A 29 -9.453 1.645 -3.668 1.00 0.00 C ATOM 397 O LYS A 29 -8.245 1.436 -3.568 1.00 0.00 O ATOM 398 CB LYS A 29 -9.456 3.553 -5.377 1.00 0.00 C ATOM 399 CG LYS A 29 -10.537 3.456 -6.455 1.00 0.00 C ATOM 400 CD LYS A 29 -10.254 4.424 -7.605 1.00 0.00 C ATOM 401 CE LYS A 29 -11.436 5.371 -7.828 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.956 6.718 -8.207 1.00 0.00 N ATOM 0 H LYS A 29 -8.653 3.994 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.054 2.955 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.133 4.589 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.582 2.976 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.584 2.436 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.511 3.678 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.356 5.002 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.056 3.862 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.084 4.976 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.035 5.434 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.770 7.348 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.356 7.099 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.403 6.655 -9.086 1.00 0.00 H new ATOM 416 N GLU A 30 -10.391 0.728 -3.479 1.00 0.00 N ATOM 417 CA GLU A 30 -10.043 -0.638 -3.127 1.00 0.00 C ATOM 418 C GLU A 30 -9.656 -1.426 -4.380 1.00 0.00 C ATOM 419 O GLU A 30 -10.352 -1.371 -5.392 1.00 0.00 O ATOM 420 CB GLU A 30 -11.191 -1.322 -2.382 1.00 0.00 C ATOM 421 CG GLU A 30 -11.691 -0.450 -1.228 1.00 0.00 C ATOM 422 CD GLU A 30 -13.071 -0.910 -0.753 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.313 -2.135 -0.812 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.853 -0.026 -0.341 1.00 0.00 O ATOM 0 H GLU A 30 -11.392 0.905 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.184 -0.612 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.010 -1.522 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.857 -2.285 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.984 -0.495 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.741 0.591 -1.548 1.00 0.00 H new ATOM 431 N PHE A 31 -8.546 -2.142 -4.271 1.00 0.00 N ATOM 432 CA PHE A 31 -8.059 -2.941 -5.382 1.00 0.00 C ATOM 433 C PHE A 31 -7.772 -4.378 -4.940 1.00 0.00 C ATOM 434 O PHE A 31 -8.045 -4.746 -3.799 1.00 0.00 O ATOM 435 CB PHE A 31 -6.755 -2.296 -5.858 1.00 0.00 C ATOM 436 CG PHE A 31 -6.954 -1.157 -6.859 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.086 -1.432 -8.185 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.999 0.131 -6.424 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.271 -0.374 -9.114 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.183 1.188 -7.354 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.316 0.914 -8.679 1.00 0.00 C ATOM 0 H PHE A 31 -7.970 -2.185 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.809 -2.976 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.213 -1.915 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.128 -3.062 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.050 -2.454 -8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.895 0.350 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.376 -0.592 -10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.217 2.211 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.457 1.718 -9.386 1.00 0.00 H new ATOM 451 N LEU A 32 -7.224 -5.150 -5.868 1.00 0.00 N ATOM 452 CA LEU A 32 -6.897 -6.538 -5.588 1.00 0.00 C ATOM 453 C LEU A 32 -5.522 -6.861 -6.176 1.00 0.00 C ATOM 454 O LEU A 32 -5.244 -6.538 -7.329 1.00 0.00 O ATOM 455 CB LEU A 32 -8.011 -7.461 -6.086 1.00 0.00 C ATOM 456 CG LEU A 32 -9.257 -7.545 -5.202 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.523 -7.685 -6.050 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.127 -8.674 -4.177 1.00 0.00 C ATOM 0 H LEU A 32 -6.999 -4.841 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.832 -6.706 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.315 -7.128 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.601 -8.465 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.344 -6.612 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.394 -7.743 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.618 -6.820 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.460 -8.592 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.026 -8.712 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.002 -9.624 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.260 -8.491 -3.542 1.00 0.00 H new ATOM 470 N PHE A 33 -4.698 -7.496 -5.355 1.00 0.00 N ATOM 471 CA PHE A 33 -3.359 -7.867 -5.779 1.00 0.00 C ATOM 472 C PHE A 33 -2.982 -9.253 -5.253 1.00 0.00 C ATOM 473 O PHE A 33 -3.729 -9.853 -4.483 1.00 0.00 O ATOM 474 CB PHE A 33 -2.400 -6.832 -5.186 1.00 0.00 C ATOM 475 CG PHE A 33 -2.631 -5.407 -5.693 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.525 -5.131 -7.020 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.945 -4.416 -4.815 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.740 -3.808 -7.490 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.160 -3.093 -5.285 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.053 -2.818 -6.613 1.00 0.00 C ATOM 0 H PHE A 33 -4.932 -7.763 -4.399 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.307 -7.894 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.498 -6.841 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.376 -7.127 -5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.277 -5.918 -7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.031 -4.635 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.655 -3.589 -8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.408 -2.306 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.217 -1.812 -6.971 1.00 0.00 H new ATOM 490 N SER A 34 -1.822 -9.722 -5.691 1.00 0.00 N ATOM 491 CA SER A 34 -1.337 -11.027 -5.275 1.00 0.00 C ATOM 492 C SER A 34 -0.093 -10.867 -4.399 1.00 0.00 C ATOM 493 O SER A 34 0.549 -9.818 -4.412 1.00 0.00 O ATOM 494 CB SER A 34 -1.025 -11.910 -6.485 1.00 0.00 C ATOM 495 OG SER A 34 0.195 -12.627 -6.322 1.00 0.00 O ATOM 0 H SER A 34 -1.204 -9.221 -6.330 1.00 0.00 H new ATOM 0 HA SER A 34 -2.121 -11.515 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.842 -12.615 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.965 -11.291 -7.380 1.00 0.00 H new ATOM 0 HG SER A 34 0.358 -13.180 -7.114 1.00 0.00 H new ATOM 501 N PRO A 35 0.218 -11.952 -3.640 1.00 0.00 N ATOM 502 CA PRO A 35 1.374 -11.942 -2.760 1.00 0.00 C ATOM 503 C PRO A 35 2.672 -12.085 -3.557 1.00 0.00 C ATOM 504 O PRO A 35 3.763 -12.002 -2.995 1.00 0.00 O ATOM 505 CB PRO A 35 1.142 -13.091 -1.792 1.00 0.00 C ATOM 506 CG PRO A 35 0.104 -13.987 -2.451 1.00 0.00 C ATOM 507 CD PRO A 35 -0.519 -13.211 -3.599 1.00 0.00 C ATOM 0 HA PRO A 35 1.484 -11.001 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.067 -13.637 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.787 -12.725 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.567 -14.903 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.659 -14.281 -1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.427 -13.754 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.583 -13.042 -3.431 1.00 0.00 H new ATOM 515 N ASN A 36 2.511 -12.299 -4.855 1.00 0.00 N ATOM 516 CA ASN A 36 3.656 -12.454 -5.736 1.00 0.00 C ATOM 517 C ASN A 36 3.910 -11.138 -6.473 1.00 0.00 C ATOM 518 O ASN A 36 5.024 -10.881 -6.927 1.00 0.00 O ATOM 519 CB ASN A 36 3.402 -13.541 -6.782 1.00 0.00 C ATOM 520 CG ASN A 36 3.202 -14.905 -6.119 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.958 -15.321 -5.256 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.145 -15.575 -6.569 1.00 0.00 N ATOM 0 H ASN A 36 1.605 -12.369 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 36 4.515 -12.734 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.520 -13.286 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.243 -13.589 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.926 -16.496 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.554 -15.168 -7.293 1.00 0.00 H new ATOM 529 N ASP A 37 2.858 -10.338 -6.569 1.00 0.00 N ATOM 530 CA ASP A 37 2.953 -9.054 -7.243 1.00 0.00 C ATOM 531 C ASP A 37 3.854 -8.122 -6.431 1.00 0.00 C ATOM 532 O ASP A 37 3.834 -8.149 -5.202 1.00 0.00 O ATOM 533 CB ASP A 37 1.578 -8.394 -7.366 1.00 0.00 C ATOM 534 CG ASP A 37 0.798 -8.755 -8.631 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.770 -9.962 -8.955 1.00 0.00 O ATOM 536 OD2 ASP A 37 0.247 -7.816 -9.246 1.00 0.00 O ATOM 0 H ASP A 37 1.936 -10.554 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 37 3.361 -9.225 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.980 -8.670 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.707 -7.312 -7.333 1.00 0.00 H new ATOM 541 N SER A 38 4.624 -7.320 -7.152 1.00 0.00 N ATOM 542 CA SER A 38 5.531 -6.381 -6.514 1.00 0.00 C ATOM 543 C SER A 38 4.932 -4.973 -6.542 1.00 0.00 C ATOM 544 O SER A 38 4.029 -4.694 -7.329 1.00 0.00 O ATOM 545 CB SER A 38 6.900 -6.388 -7.196 1.00 0.00 C ATOM 546 OG SER A 38 6.813 -6.034 -8.573 1.00 0.00 O ATOM 0 H SER A 38 4.638 -7.301 -8.172 1.00 0.00 H new ATOM 0 HA SER A 38 5.669 -6.690 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.563 -5.691 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.346 -7.378 -7.104 1.00 0.00 H new ATOM 0 HG SER A 38 7.708 -6.049 -8.972 1.00 0.00 H new ATOM 552 N ALA A 39 5.458 -4.123 -5.672 1.00 0.00 N ATOM 553 CA ALA A 39 4.987 -2.752 -5.587 1.00 0.00 C ATOM 554 C ALA A 39 4.769 -2.203 -6.999 1.00 0.00 C ATOM 555 O ALA A 39 3.730 -1.609 -7.285 1.00 0.00 O ATOM 556 CB ALA A 39 5.987 -1.916 -4.786 1.00 0.00 C ATOM 0 H ALA A 39 6.206 -4.358 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 39 4.032 -2.707 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.633 -0.887 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.084 -2.329 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.957 -1.936 -5.282 1.00 0.00 H new ATOM 562 N SER A 40 5.765 -2.423 -7.845 1.00 0.00 N ATOM 563 CA SER A 40 5.695 -1.958 -9.220 1.00 0.00 C ATOM 564 C SER A 40 4.344 -2.334 -9.832 1.00 0.00 C ATOM 565 O SER A 40 3.532 -1.462 -10.135 1.00 0.00 O ATOM 566 CB SER A 40 6.837 -2.539 -10.056 1.00 0.00 C ATOM 567 OG SER A 40 8.112 -2.273 -9.477 1.00 0.00 O ATOM 0 H SER A 40 6.625 -2.917 -7.605 1.00 0.00 H new ATOM 0 HA SER A 40 5.796 -0.873 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.702 -3.616 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.801 -2.119 -11.061 1.00 0.00 H new ATOM 0 HG SER A 40 8.250 -2.861 -8.705 1.00 0.00 H new ATOM 573 N ASP A 41 4.146 -3.634 -9.994 1.00 0.00 N ATOM 574 CA ASP A 41 2.908 -4.137 -10.564 1.00 0.00 C ATOM 575 C ASP A 41 1.731 -3.339 -10.000 1.00 0.00 C ATOM 576 O ASP A 41 0.889 -2.851 -10.753 1.00 0.00 O ATOM 577 CB ASP A 41 2.695 -5.609 -10.207 1.00 0.00 C ATOM 578 CG ASP A 41 2.879 -6.589 -11.368 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.708 -6.276 -12.249 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.186 -7.630 -11.347 1.00 0.00 O ATOM 0 H ASP A 41 4.822 -4.354 -9.740 1.00 0.00 H new ATOM 0 HA ASP A 41 2.970 -4.034 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.389 -5.878 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.688 -5.728 -9.807 1.00 0.00 H new ATOM 585 N ILE A 42 1.709 -3.230 -8.680 1.00 0.00 N ATOM 586 CA ILE A 42 0.649 -2.499 -8.007 1.00 0.00 C ATOM 587 C ILE A 42 0.604 -1.066 -8.541 1.00 0.00 C ATOM 588 O ILE A 42 -0.307 -0.706 -9.285 1.00 0.00 O ATOM 589 CB ILE A 42 0.821 -2.584 -6.489 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.788 -4.038 -6.013 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.219 -1.722 -5.770 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.081 -4.131 -4.515 1.00 0.00 C ATOM 0 H ILE A 42 2.408 -3.636 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.320 -2.950 -8.221 1.00 0.00 H new ATOM 0 HB ILE A 42 1.803 -2.184 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.190 -4.471 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.522 -4.623 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.074 -1.800 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.105 -0.682 -6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.220 -2.068 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.051 -5.175 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.069 -3.719 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.331 -3.565 -3.962 1.00 0.00 H new ATOM 604 N ALA A 43 1.599 -0.288 -8.142 1.00 0.00 N ATOM 605 CA ALA A 43 1.685 1.097 -8.572 1.00 0.00 C ATOM 606 C ALA A 43 1.293 1.194 -10.048 1.00 0.00 C ATOM 607 O ALA A 43 0.478 2.035 -10.423 1.00 0.00 O ATOM 608 CB ALA A 43 3.095 1.628 -8.307 1.00 0.00 C ATOM 0 H ALA A 43 2.353 -0.591 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 43 0.991 1.718 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.159 2.667 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.313 1.565 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.819 1.031 -8.861 1.00 0.00 H new ATOM 614 N LYS A 44 1.891 0.321 -10.844 1.00 0.00 N ATOM 615 CA LYS A 44 1.615 0.297 -12.271 1.00 0.00 C ATOM 616 C LYS A 44 0.118 0.067 -12.492 1.00 0.00 C ATOM 617 O LYS A 44 -0.545 0.865 -13.152 1.00 0.00 O ATOM 618 CB LYS A 44 2.505 -0.730 -12.972 1.00 0.00 C ATOM 619 CG LYS A 44 3.096 -0.155 -14.261 1.00 0.00 C ATOM 620 CD LYS A 44 4.613 0.011 -14.143 1.00 0.00 C ATOM 621 CE LYS A 44 5.342 -1.224 -14.675 1.00 0.00 C ATOM 622 NZ LYS A 44 6.599 -0.832 -15.351 1.00 0.00 N ATOM 0 H LYS A 44 2.566 -0.376 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 44 1.861 1.258 -12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.310 -1.036 -12.303 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.924 -1.624 -13.201 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.863 -0.814 -15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.637 0.810 -14.477 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.930 0.893 -14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.884 0.177 -13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.561 -1.906 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.699 -1.761 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.082 -1.682 -15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.382 -0.199 -16.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.218 -0.340 -14.675 1.00 0.00 H new ATOM 636 N HIS A 45 -0.369 -1.028 -11.928 1.00 0.00 N ATOM 637 CA HIS A 45 -1.775 -1.373 -12.055 1.00 0.00 C ATOM 638 C HIS A 45 -2.630 -0.118 -11.873 1.00 0.00 C ATOM 639 O HIS A 45 -3.486 0.180 -12.705 1.00 0.00 O ATOM 640 CB HIS A 45 -2.150 -2.492 -11.082 1.00 0.00 C ATOM 641 CG HIS A 45 -3.631 -2.776 -11.013 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.187 -3.971 -11.436 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.666 -2.007 -10.565 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.497 -3.913 -11.248 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.792 -2.695 -10.709 1.00 0.00 N ATOM 0 H HIS A 45 0.185 -1.688 -11.382 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.969 -1.760 -13.055 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.629 -3.404 -11.375 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.795 -2.228 -10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.583 -1.009 -10.162 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.207 -4.693 -11.481 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.725 -2.367 -10.458 1.00 0.00 H new ATOM 653 N VAL A 46 -2.368 0.584 -10.781 1.00 0.00 N ATOM 654 CA VAL A 46 -3.104 1.801 -10.479 1.00 0.00 C ATOM 655 C VAL A 46 -3.115 2.704 -11.714 1.00 0.00 C ATOM 656 O VAL A 46 -4.179 3.058 -12.219 1.00 0.00 O ATOM 657 CB VAL A 46 -2.506 2.481 -9.246 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.206 3.812 -8.961 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.566 1.558 -8.027 1.00 0.00 C ATOM 0 H VAL A 46 -1.657 0.334 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.141 1.571 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.457 2.692 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.762 4.275 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.089 4.476 -9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.267 3.634 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.135 2.066 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.604 1.302 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.002 0.648 -8.232 1.00 0.00 H new ATOM 669 N TYR A 47 -1.918 3.052 -12.164 1.00 0.00 N ATOM 670 CA TYR A 47 -1.776 3.907 -13.330 1.00 0.00 C ATOM 671 C TYR A 47 -2.451 3.283 -14.553 1.00 0.00 C ATOM 672 O TYR A 47 -3.180 3.960 -15.278 1.00 0.00 O ATOM 673 CB TYR A 47 -0.273 4.017 -13.593 1.00 0.00 C ATOM 674 CG TYR A 47 0.079 4.656 -14.938 1.00 0.00 C ATOM 675 CD1 TYR A 47 0.016 3.907 -16.095 1.00 0.00 C ATOM 676 CD2 TYR A 47 0.458 5.982 -14.993 1.00 0.00 C ATOM 677 CE1 TYR A 47 0.347 4.508 -17.361 1.00 0.00 C ATOM 678 CE2 TYR A 47 0.790 6.583 -16.259 1.00 0.00 C ATOM 679 CZ TYR A 47 0.718 5.817 -17.380 1.00 0.00 C ATOM 680 OH TYR A 47 1.030 6.385 -18.576 1.00 0.00 O ATOM 0 H TYR A 47 -1.038 2.757 -11.742 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.241 4.877 -13.153 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.183 4.602 -12.794 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.167 3.021 -13.550 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.282 2.870 -16.051 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.506 6.568 -14.087 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.302 3.933 -18.274 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.089 7.619 -16.317 1.00 0.00 H new ATOM 0 HH TYR A 47 1.276 7.324 -18.438 1.00 0.00 H new ATOM 690 N ASP A 48 -2.185 1.999 -14.746 1.00 0.00 N ATOM 691 CA ASP A 48 -2.758 1.276 -15.868 1.00 0.00 C ATOM 692 C ASP A 48 -4.261 1.554 -15.935 1.00 0.00 C ATOM 693 O ASP A 48 -4.788 1.886 -16.996 1.00 0.00 O ATOM 694 CB ASP A 48 -2.563 -0.233 -15.709 1.00 0.00 C ATOM 695 CG ASP A 48 -1.442 -0.833 -16.560 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.325 -0.275 -16.504 1.00 0.00 O ATOM 697 OD2 ASP A 48 -1.728 -1.837 -17.248 1.00 0.00 O ATOM 0 H ASP A 48 -1.580 1.441 -14.144 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.256 1.611 -16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.358 -0.449 -14.660 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.498 -0.734 -15.961 1.00 0.00 H new ATOM 702 N ASN A 49 -4.909 1.408 -14.789 1.00 0.00 N ATOM 703 CA ASN A 49 -6.341 1.640 -14.704 1.00 0.00 C ATOM 704 C ASN A 49 -6.619 3.140 -14.821 1.00 0.00 C ATOM 705 O ASN A 49 -5.694 3.950 -14.792 1.00 0.00 O ATOM 706 CB ASN A 49 -6.898 1.159 -13.363 1.00 0.00 C ATOM 707 CG ASN A 49 -7.096 -0.359 -13.364 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.204 -0.866 -13.433 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.965 -1.052 -13.283 1.00 0.00 N ATOM 0 H ASN A 49 -4.469 1.132 -13.911 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.820 1.088 -15.513 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.216 1.440 -12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.848 1.653 -13.162 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.991 -2.072 -13.276 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.071 -0.564 -13.228 1.00 0.00 H new ATOM 716 N TRP A 50 -7.897 3.464 -14.950 1.00 0.00 N ATOM 717 CA TRP A 50 -8.308 4.852 -15.071 1.00 0.00 C ATOM 718 C TRP A 50 -7.821 5.373 -16.424 1.00 0.00 C ATOM 719 O TRP A 50 -6.675 5.803 -16.552 1.00 0.00 O ATOM 720 CB TRP A 50 -7.795 5.681 -13.891 1.00 0.00 C ATOM 721 CG TRP A 50 -8.052 5.043 -12.524 1.00 0.00 C ATOM 722 CD1 TRP A 50 -9.040 4.208 -12.176 1.00 0.00 C ATOM 723 CD2 TRP A 50 -7.263 5.224 -11.330 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.946 3.839 -10.850 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.831 4.476 -10.319 1.00 0.00 C ATOM 726 CE3 TRP A 50 -6.107 5.994 -11.111 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.313 4.425 -9.019 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.601 5.932 -9.806 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.162 5.184 -8.777 1.00 0.00 C ATOM 0 H TRP A 50 -8.661 2.789 -14.973 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.394 4.937 -15.036 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.723 5.840 -14.011 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.268 6.663 -13.917 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.813 3.867 -12.849 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.579 3.214 -10.351 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.646 6.586 -11.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.777 3.832 -8.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.713 6.505 -9.584 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.712 5.189 -7.795 1.00 0.00 H new ATOM 740 N PRO A 51 -8.738 5.317 -17.426 1.00 0.00 N ATOM 741 CA PRO A 51 -8.414 5.778 -18.765 1.00 0.00 C ATOM 742 C PRO A 51 -8.389 7.306 -18.828 1.00 0.00 C ATOM 743 O PRO A 51 -7.382 7.899 -19.213 1.00 0.00 O ATOM 744 CB PRO A 51 -9.477 5.164 -19.662 1.00 0.00 C ATOM 745 CG PRO A 51 -10.619 4.766 -18.741 1.00 0.00 C ATOM 746 CD PRO A 51 -10.104 4.814 -17.312 1.00 0.00 C ATOM 0 HA PRO A 51 -7.418 5.472 -19.085 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.813 5.877 -20.415 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.085 4.298 -20.196 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.464 5.444 -18.865 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.975 3.765 -18.985 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.717 5.469 -16.692 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.125 3.827 -16.850 1.00 0.00 H new ATOM 754 N MET A 52 -9.509 7.900 -18.444 1.00 0.00 N ATOM 755 CA MET A 52 -9.629 9.348 -18.452 1.00 0.00 C ATOM 756 C MET A 52 -9.305 9.933 -17.075 1.00 0.00 C ATOM 757 O MET A 52 -10.129 10.626 -16.482 1.00 0.00 O ATOM 758 CB MET A 52 -11.053 9.741 -18.851 1.00 0.00 C ATOM 759 CG MET A 52 -12.063 9.287 -17.796 1.00 0.00 C ATOM 760 SD MET A 52 -13.513 8.613 -18.589 1.00 0.00 S ATOM 761 CE MET A 52 -13.911 7.303 -17.444 1.00 0.00 C ATOM 0 H MET A 52 -10.342 7.405 -18.125 1.00 0.00 H new ATOM 0 HA MET A 52 -8.917 9.748 -19.173 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.114 10.822 -18.977 1.00 0.00 H new ATOM 0 HB3 MET A 52 -11.301 9.294 -19.814 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.611 8.536 -17.147 1.00 0.00 H new ATOM 0 HG3 MET A 52 -12.343 10.129 -17.163 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.799 6.775 -17.790 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.075 6.606 -17.383 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.102 7.727 -16.458 1.00 0.00 H new ATOM 771 N ASP A 53 -8.102 9.631 -16.608 1.00 0.00 N ATOM 772 CA ASP A 53 -7.659 10.117 -15.313 1.00 0.00 C ATOM 773 C ASP A 53 -6.142 9.952 -15.202 1.00 0.00 C ATOM 774 O ASP A 53 -5.526 9.275 -16.025 1.00 0.00 O ATOM 775 CB ASP A 53 -8.305 9.324 -14.176 1.00 0.00 C ATOM 776 CG ASP A 53 -8.894 10.173 -13.048 1.00 0.00 C ATOM 777 OD1 ASP A 53 -8.231 11.166 -12.679 1.00 0.00 O ATOM 778 OD2 ASP A 53 -9.995 9.809 -12.579 1.00 0.00 O ATOM 0 H ASP A 53 -7.421 9.056 -17.104 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.947 11.165 -15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.096 8.700 -14.592 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.559 8.652 -13.753 1.00 0.00 H new ATOM 783 N TRP A 54 -5.583 10.581 -14.179 1.00 0.00 N ATOM 784 CA TRP A 54 -4.150 10.512 -13.951 1.00 0.00 C ATOM 785 C TRP A 54 -3.446 11.056 -15.195 1.00 0.00 C ATOM 786 O TRP A 54 -3.054 10.291 -16.075 1.00 0.00 O ATOM 787 CB TRP A 54 -3.719 9.088 -13.595 1.00 0.00 C ATOM 788 CG TRP A 54 -2.339 9.000 -12.940 1.00 0.00 C ATOM 789 CD1 TRP A 54 -1.153 9.333 -13.467 1.00 0.00 C ATOM 790 CD2 TRP A 54 -2.049 8.532 -11.606 1.00 0.00 C ATOM 791 NE1 TRP A 54 -0.124 9.116 -12.574 1.00 0.00 N ATOM 792 CE2 TRP A 54 -0.686 8.613 -11.406 1.00 0.00 C ATOM 793 CE3 TRP A 54 -2.910 8.056 -10.602 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -0.063 8.235 -10.211 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -2.271 7.682 -9.413 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.901 7.758 -9.196 1.00 0.00 C ATOM 0 H TRP A 54 -6.097 11.141 -13.499 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.866 11.124 -13.095 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.458 8.654 -12.921 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.719 8.482 -14.501 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.019 9.722 -14.465 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.867 9.292 -12.740 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.979 7.984 -10.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.006 8.307 -10.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.887 7.308 -8.608 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.484 7.450 -8.248 1.00 0.00 H new ATOM 807 N GLU A 55 -3.307 12.373 -15.229 1.00 0.00 N ATOM 808 CA GLU A 55 -2.657 13.029 -16.351 1.00 0.00 C ATOM 809 C GLU A 55 -1.734 14.143 -15.853 1.00 0.00 C ATOM 810 O GLU A 55 -2.041 15.324 -16.009 1.00 0.00 O ATOM 811 CB GLU A 55 -3.688 13.572 -17.341 1.00 0.00 C ATOM 812 CG GLU A 55 -4.235 12.455 -18.233 1.00 0.00 C ATOM 813 CD GLU A 55 -4.613 12.992 -19.615 1.00 0.00 C ATOM 814 OE1 GLU A 55 -5.396 13.966 -19.650 1.00 0.00 O ATOM 815 OE2 GLU A 55 -4.112 12.416 -20.604 1.00 0.00 O ATOM 0 H GLU A 55 -3.634 13.004 -14.497 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.051 12.291 -16.877 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.507 14.042 -16.797 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.232 14.345 -17.959 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.487 11.669 -18.337 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.109 12.004 -17.763 1.00 0.00 H new ATOM 822 N GLU A 56 -0.622 13.729 -15.264 1.00 0.00 N ATOM 823 CA GLU A 56 0.347 14.677 -14.742 1.00 0.00 C ATOM 824 C GLU A 56 1.660 13.966 -14.410 1.00 0.00 C ATOM 825 O GLU A 56 2.021 13.836 -13.242 1.00 0.00 O ATOM 826 CB GLU A 56 -0.206 15.408 -13.517 1.00 0.00 C ATOM 827 CG GLU A 56 0.683 16.595 -13.139 1.00 0.00 C ATOM 828 CD GLU A 56 0.501 16.969 -11.667 1.00 0.00 C ATOM 829 OE1 GLU A 56 0.956 16.172 -10.818 1.00 0.00 O ATOM 830 OE2 GLU A 56 -0.090 18.043 -11.423 1.00 0.00 O ATOM 0 H GLU A 56 -0.370 12.749 -15.137 1.00 0.00 H new ATOM 0 HA GLU A 56 0.546 15.424 -15.511 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.217 15.758 -13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.273 14.717 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.727 16.347 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.440 17.451 -13.768 1.00 0.00 H new ATOM 837 N GLU A 57 2.339 13.525 -15.459 1.00 0.00 N ATOM 838 CA GLU A 57 3.604 12.831 -15.294 1.00 0.00 C ATOM 839 C GLU A 57 4.416 12.891 -16.589 1.00 0.00 C ATOM 840 O GLU A 57 3.932 13.383 -17.607 1.00 0.00 O ATOM 841 CB GLU A 57 3.381 11.382 -14.854 1.00 0.00 C ATOM 842 CG GLU A 57 2.759 10.556 -15.981 1.00 0.00 C ATOM 843 CD GLU A 57 3.840 9.862 -16.813 1.00 0.00 C ATOM 844 OE1 GLU A 57 4.326 10.510 -17.765 1.00 0.00 O ATOM 845 OE2 GLU A 57 4.155 8.700 -16.478 1.00 0.00 O ATOM 0 H GLU A 57 2.036 13.635 -16.427 1.00 0.00 H new ATOM 0 HA GLU A 57 4.171 13.332 -14.509 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.331 10.939 -14.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.730 11.360 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.084 9.811 -15.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.160 11.202 -16.623 1.00 0.00 H new ATOM 852 N GLN A 58 5.638 12.384 -16.509 1.00 0.00 N ATOM 853 CA GLN A 58 6.521 12.374 -17.662 1.00 0.00 C ATOM 854 C GLN A 58 7.777 11.553 -17.361 1.00 0.00 C ATOM 855 O GLN A 58 8.259 10.812 -18.217 1.00 0.00 O ATOM 856 CB GLN A 58 6.886 13.798 -18.085 1.00 0.00 C ATOM 857 CG GLN A 58 7.877 13.786 -19.251 1.00 0.00 C ATOM 858 CD GLN A 58 7.166 13.487 -20.572 1.00 0.00 C ATOM 859 OE1 GLN A 58 6.923 12.196 -20.775 1.00 0.00 O flip ATOM 860 NE2 GLN A 58 6.859 14.371 -21.355 1.00 0.00 N flip ATOM 0 H GLN A 58 6.037 11.977 -15.663 1.00 0.00 H new ATOM 0 HA GLN A 58 5.995 11.906 -18.494 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.984 14.338 -18.375 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.320 14.333 -17.240 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.380 14.751 -19.315 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.647 13.036 -19.071 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.076 15.344 -21.137 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.386 14.137 -22.228 1.00 0.00 H new ATOM 869 N VAL A 59 8.271 11.711 -16.142 1.00 0.00 N ATOM 870 CA VAL A 59 9.462 10.994 -15.718 1.00 0.00 C ATOM 871 C VAL A 59 9.358 9.534 -16.164 1.00 0.00 C ATOM 872 O VAL A 59 8.268 8.964 -16.187 1.00 0.00 O ATOM 873 CB VAL A 59 9.654 11.146 -14.208 1.00 0.00 C ATOM 874 CG1 VAL A 59 10.319 12.482 -13.871 1.00 0.00 C ATOM 875 CG2 VAL A 59 8.323 10.994 -13.468 1.00 0.00 C ATOM 0 H VAL A 59 7.868 12.325 -15.434 1.00 0.00 H new ATOM 0 HA VAL A 59 10.350 11.415 -16.189 1.00 0.00 H new ATOM 0 HB VAL A 59 10.317 10.348 -13.873 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.444 12.564 -12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.295 12.535 -14.354 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.693 13.300 -14.227 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.488 11.106 -12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.627 11.760 -13.810 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.905 10.008 -13.669 1.00 0.00 H new ATOM 885 N SER A 60 10.507 8.970 -16.507 1.00 0.00 N ATOM 886 CA SER A 60 10.559 7.588 -16.951 1.00 0.00 C ATOM 887 C SER A 60 11.632 6.827 -16.170 1.00 0.00 C ATOM 888 O SER A 60 12.163 5.827 -16.650 1.00 0.00 O ATOM 889 CB SER A 60 10.835 7.501 -18.453 1.00 0.00 C ATOM 890 OG SER A 60 9.782 6.844 -19.153 1.00 0.00 O ATOM 0 H SER A 60 11.409 9.445 -16.486 1.00 0.00 H new ATOM 0 HA SER A 60 9.587 7.132 -16.761 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.967 8.505 -18.856 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.770 6.966 -18.619 1.00 0.00 H new ATOM 0 HG SER A 60 9.996 6.810 -20.109 1.00 0.00 H new ATOM 896 N SER A 61 11.920 7.331 -14.978 1.00 0.00 N ATOM 897 CA SER A 61 12.921 6.712 -14.126 1.00 0.00 C ATOM 898 C SER A 61 12.374 5.409 -13.539 1.00 0.00 C ATOM 899 O SER A 61 11.164 5.253 -13.383 1.00 0.00 O ATOM 900 CB SER A 61 13.352 7.659 -13.005 1.00 0.00 C ATOM 901 OG SER A 61 14.062 8.789 -13.505 1.00 0.00 O ATOM 0 H SER A 61 11.477 8.161 -14.583 1.00 0.00 H new ATOM 0 HA SER A 61 13.798 6.490 -14.734 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.472 7.997 -12.457 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.981 7.120 -12.297 1.00 0.00 H new ATOM 0 HG SER A 61 14.704 9.097 -12.831 1.00 0.00 H new ATOM 907 N PRO A 62 13.317 4.482 -13.220 1.00 0.00 N ATOM 908 CA PRO A 62 12.942 3.197 -12.654 1.00 0.00 C ATOM 909 C PRO A 62 12.539 3.343 -11.185 1.00 0.00 C ATOM 910 O PRO A 62 12.069 2.387 -10.569 1.00 0.00 O ATOM 911 CB PRO A 62 14.161 2.310 -12.850 1.00 0.00 C ATOM 912 CG PRO A 62 15.328 3.253 -13.095 1.00 0.00 C ATOM 913 CD PRO A 62 14.759 4.631 -13.391 1.00 0.00 C ATOM 0 HA PRO A 62 12.068 2.762 -13.139 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.338 1.690 -11.971 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.021 1.635 -13.694 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.980 3.289 -12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 62 15.933 2.902 -13.931 1.00 0.00 H new ATOM 0 HD2 PRO A 62 15.163 5.381 -12.710 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.007 4.953 -14.403 1.00 0.00 H new ATOM 921 N ASN A 63 12.738 4.545 -10.666 1.00 0.00 N ATOM 922 CA ASN A 63 12.402 4.828 -9.281 1.00 0.00 C ATOM 923 C ASN A 63 11.626 6.145 -9.208 1.00 0.00 C ATOM 924 O ASN A 63 12.223 7.220 -9.165 1.00 0.00 O ATOM 925 CB ASN A 63 13.662 4.974 -8.426 1.00 0.00 C ATOM 926 CG ASN A 63 14.327 3.616 -8.194 1.00 0.00 C ATOM 927 OD1 ASN A 63 14.157 2.980 -7.167 1.00 0.00 O ATOM 928 ND2 ASN A 63 15.093 3.209 -9.203 1.00 0.00 N ATOM 0 H ASN A 63 13.128 5.335 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 63 11.805 3.998 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 63 14.364 5.647 -8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.405 5.426 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.581 2.315 -9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.192 3.791 -10.035 1.00 0.00 H new ATOM 935 N ILE A 64 10.307 6.018 -9.196 1.00 0.00 N ATOM 936 CA ILE A 64 9.443 7.184 -9.128 1.00 0.00 C ATOM 937 C ILE A 64 8.128 6.801 -8.447 1.00 0.00 C ATOM 938 O ILE A 64 7.652 7.513 -7.565 1.00 0.00 O ATOM 939 CB ILE A 64 9.260 7.796 -10.519 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.429 6.738 -11.610 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.202 8.985 -10.723 1.00 0.00 C ATOM 942 CD1 ILE A 64 8.941 7.262 -12.962 1.00 0.00 C ATOM 0 H ILE A 64 9.816 5.125 -9.232 1.00 0.00 H new ATOM 0 HA ILE A 64 9.902 7.963 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 64 8.241 8.176 -10.594 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.478 6.451 -11.684 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.872 5.841 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.052 9.401 -11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.991 9.749 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.235 8.653 -10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.072 6.490 -13.720 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.886 7.525 -12.891 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.517 8.145 -13.239 1.00 0.00 H new ATOM 954 N LEU A 65 7.578 5.677 -8.883 1.00 0.00 N ATOM 955 CA LEU A 65 6.327 5.191 -8.327 1.00 0.00 C ATOM 956 C LEU A 65 6.597 4.542 -6.968 1.00 0.00 C ATOM 957 O LEU A 65 6.907 3.353 -6.894 1.00 0.00 O ATOM 958 CB LEU A 65 5.622 4.266 -9.321 1.00 0.00 C ATOM 959 CG LEU A 65 4.878 4.955 -10.466 1.00 0.00 C ATOM 960 CD1 LEU A 65 5.367 4.446 -11.823 1.00 0.00 C ATOM 961 CD2 LEU A 65 3.364 4.801 -10.308 1.00 0.00 C ATOM 0 H LEU A 65 7.976 5.089 -9.615 1.00 0.00 H new ATOM 0 HA LEU A 65 5.639 6.019 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.364 3.593 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.911 3.649 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 65 5.099 6.021 -10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.822 4.952 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.433 4.651 -11.926 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.196 3.372 -11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.859 5.300 -11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.104 3.743 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.049 5.251 -9.366 1.00 0.00 H new ATOM 973 N ARG A 66 6.470 5.350 -5.926 1.00 0.00 N ATOM 974 CA ARG A 66 6.696 4.869 -4.573 1.00 0.00 C ATOM 975 C ARG A 66 5.390 4.891 -3.777 1.00 0.00 C ATOM 976 O ARG A 66 4.728 5.924 -3.692 1.00 0.00 O ATOM 977 CB ARG A 66 7.739 5.725 -3.852 1.00 0.00 C ATOM 978 CG ARG A 66 9.076 4.987 -3.747 1.00 0.00 C ATOM 979 CD ARG A 66 9.630 5.057 -2.323 1.00 0.00 C ATOM 980 NE ARG A 66 11.044 5.494 -2.351 1.00 0.00 N ATOM 981 CZ ARG A 66 11.926 5.249 -1.372 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.545 4.568 -0.282 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.188 5.683 -1.483 1.00 0.00 N ATOM 0 H ARG A 66 6.213 6.335 -5.991 1.00 0.00 H new ATOM 0 HA ARG A 66 7.066 3.846 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.879 6.663 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.380 5.979 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.944 3.945 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.793 5.425 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.038 5.752 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.552 4.080 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 66 11.367 6.014 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.584 4.236 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.216 4.381 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.478 6.200 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.859 5.496 -0.738 1.00 0.00 H new ATOM 997 N LEU A 67 5.058 3.738 -3.214 1.00 0.00 N ATOM 998 CA LEU A 67 3.843 3.612 -2.427 1.00 0.00 C ATOM 999 C LEU A 67 4.183 3.765 -0.944 1.00 0.00 C ATOM 1000 O LEU A 67 5.226 3.297 -0.490 1.00 0.00 O ATOM 1001 CB LEU A 67 3.123 2.304 -2.761 1.00 0.00 C ATOM 1002 CG LEU A 67 3.270 1.177 -1.737 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.424 1.452 -0.493 1.00 0.00 C ATOM 1004 CD2 LEU A 67 2.943 -0.180 -2.364 1.00 0.00 C ATOM 0 H LEU A 67 5.609 2.883 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 67 3.142 4.408 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.062 2.518 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.491 1.945 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 67 4.311 1.141 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.547 0.635 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.747 2.386 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.375 1.531 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.055 -0.964 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.917 -0.173 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.624 -0.371 -3.194 1.00 0.00 H new ATOM 1016 N ILE A 68 3.282 4.423 -0.228 1.00 0.00 N ATOM 1017 CA ILE A 68 3.473 4.644 1.195 1.00 0.00 C ATOM 1018 C ILE A 68 2.592 3.671 1.981 1.00 0.00 C ATOM 1019 O ILE A 68 1.439 3.441 1.619 1.00 0.00 O ATOM 1020 CB ILE A 68 3.232 6.113 1.546 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.379 6.993 1.045 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.991 6.286 3.047 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.049 7.599 -0.321 1.00 0.00 C ATOM 0 H ILE A 68 2.418 4.810 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 68 4.506 4.438 1.477 1.00 0.00 H new ATOM 0 HB ILE A 68 2.327 6.442 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.571 7.790 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.292 6.401 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.822 7.340 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.116 5.708 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.863 5.934 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.881 8.220 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.881 6.800 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.150 8.210 -0.240 1.00 0.00 H new ATOM 1035 N TYR A 69 3.168 3.126 3.043 1.00 0.00 N ATOM 1036 CA TYR A 69 2.449 2.184 3.883 1.00 0.00 C ATOM 1037 C TYR A 69 2.727 2.447 5.364 1.00 0.00 C ATOM 1038 O TYR A 69 3.869 2.352 5.811 1.00 0.00 O ATOM 1039 CB TYR A 69 2.983 0.798 3.514 1.00 0.00 C ATOM 1040 CG TYR A 69 2.343 -0.346 4.304 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.107 -0.171 4.891 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.003 -1.551 4.429 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.505 -1.248 5.635 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.401 -2.628 5.172 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.181 -2.423 5.738 1.00 0.00 C ATOM 1046 OH TYR A 69 0.613 -3.440 6.440 1.00 0.00 O ATOM 0 H TYR A 69 4.124 3.319 3.341 1.00 0.00 H new ATOM 0 HA TYR A 69 1.374 2.273 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.818 0.628 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.061 0.780 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.591 0.773 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.971 -1.687 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.462 -1.125 6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.906 -3.577 5.277 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.363 -3.374 6.380 1.00 0.00 H new ATOM 1056 N GLN A 70 1.664 2.772 6.085 1.00 0.00 N ATOM 1057 CA GLN A 70 1.780 3.049 7.506 1.00 0.00 C ATOM 1058 C GLN A 70 2.568 4.341 7.733 1.00 0.00 C ATOM 1059 O GLN A 70 2.956 4.646 8.860 1.00 0.00 O ATOM 1060 CB GLN A 70 2.428 1.875 8.243 1.00 0.00 C ATOM 1061 CG GLN A 70 1.374 1.032 8.965 1.00 0.00 C ATOM 1062 CD GLN A 70 1.877 0.585 10.339 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.584 1.298 11.032 1.00 0.00 O ATOM 1064 NE2 GLN A 70 1.475 -0.633 10.692 1.00 0.00 N ATOM 0 H GLN A 70 0.718 2.850 5.711 1.00 0.00 H new ATOM 0 HA GLN A 70 0.778 3.182 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.974 1.252 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.155 2.250 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.457 1.610 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.127 0.158 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.883 -1.177 10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.758 -1.023 11.591 1.00 0.00 H new ATOM 1073 N GLY A 71 2.781 5.065 6.644 1.00 0.00 N ATOM 1074 CA GLY A 71 3.516 6.317 6.710 1.00 0.00 C ATOM 1075 C GLY A 71 4.824 6.226 5.923 1.00 0.00 C ATOM 1076 O GLY A 71 5.198 7.166 5.222 1.00 0.00 O ATOM 0 H GLY A 71 2.458 4.809 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.902 7.125 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.729 6.563 7.750 1.00 0.00 H new ATOM 1080 N ARG A 72 5.485 5.086 6.064 1.00 0.00 N ATOM 1081 CA ARG A 72 6.744 4.861 5.374 1.00 0.00 C ATOM 1082 C ARG A 72 6.489 4.482 3.914 1.00 0.00 C ATOM 1083 O ARG A 72 5.348 4.492 3.457 1.00 0.00 O ATOM 1084 CB ARG A 72 7.550 3.749 6.049 1.00 0.00 C ATOM 1085 CG ARG A 72 6.993 2.371 5.688 1.00 0.00 C ATOM 1086 CD ARG A 72 6.867 1.488 6.931 1.00 0.00 C ATOM 1087 NE ARG A 72 7.604 0.221 6.728 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.911 -0.635 7.712 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.548 -0.365 8.973 1.00 0.00 N ATOM 1090 NH2 ARG A 72 8.583 -1.761 7.435 1.00 0.00 N ATOM 0 H ARG A 72 5.172 4.309 6.646 1.00 0.00 H new ATOM 0 HA ARG A 72 7.316 5.788 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.594 3.815 5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.526 3.883 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.017 2.482 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.647 1.890 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.261 2.012 7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.817 1.279 7.134 1.00 0.00 H new ATOM 0 HE ARG A 72 7.897 -0.015 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.038 0.493 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.782 -1.017 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.861 -1.966 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.817 -2.413 8.184 1.00 0.00 H new ATOM 1104 N PHE A 73 7.572 4.158 3.223 1.00 0.00 N ATOM 1105 CA PHE A 73 7.480 3.777 1.823 1.00 0.00 C ATOM 1106 C PHE A 73 7.980 2.346 1.611 1.00 0.00 C ATOM 1107 O PHE A 73 8.869 1.883 2.324 1.00 0.00 O ATOM 1108 CB PHE A 73 8.374 4.738 1.038 1.00 0.00 C ATOM 1109 CG PHE A 73 7.975 6.209 1.173 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.158 6.858 2.354 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.437 6.868 0.111 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.787 8.223 2.479 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.067 8.233 0.236 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.250 8.882 1.417 1.00 0.00 C ATOM 0 H PHE A 73 8.517 4.151 3.606 1.00 0.00 H new ATOM 0 HA PHE A 73 6.443 3.824 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.403 4.619 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.351 4.461 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.585 6.335 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.291 6.353 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.931 8.738 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.640 8.756 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.969 9.920 1.512 1.00 0.00 H new ATOM 1124 N LEU A 74 7.386 1.686 0.627 1.00 0.00 N ATOM 1125 CA LEU A 74 7.760 0.318 0.312 1.00 0.00 C ATOM 1126 C LEU A 74 8.685 0.314 -0.906 1.00 0.00 C ATOM 1127 O LEU A 74 8.625 1.218 -1.739 1.00 0.00 O ATOM 1128 CB LEU A 74 6.513 -0.552 0.140 1.00 0.00 C ATOM 1129 CG LEU A 74 5.663 -0.762 1.395 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.517 -1.738 1.123 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.529 -1.210 2.574 1.00 0.00 C ATOM 0 H LEU A 74 6.649 2.073 0.038 1.00 0.00 H new ATOM 0 HA LEU A 74 8.318 -0.124 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.885 -0.103 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.824 -1.528 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 74 5.215 0.193 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.928 -1.870 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.881 -1.341 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.924 -2.700 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.901 -1.352 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.024 -2.149 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.280 -0.448 2.784 1.00 0.00 H new ATOM 1143 N HIS A 75 9.520 -0.712 -0.972 1.00 0.00 N ATOM 1144 CA HIS A 75 10.457 -0.846 -2.075 1.00 0.00 C ATOM 1145 C HIS A 75 9.704 -1.263 -3.340 1.00 0.00 C ATOM 1146 O HIS A 75 8.583 -1.762 -3.264 1.00 0.00 O ATOM 1147 CB HIS A 75 11.588 -1.810 -1.713 1.00 0.00 C ATOM 1148 CG HIS A 75 12.964 -1.309 -2.084 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.606 -1.678 -3.253 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.811 -0.464 -1.429 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.787 -1.078 -3.289 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.912 -0.326 -2.158 1.00 0.00 N ATOM 0 H HIS A 75 9.568 -1.459 -0.279 1.00 0.00 H new ATOM 0 HA HIS A 75 10.929 0.116 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.559 -2.001 -0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.413 -2.763 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.619 0.012 -0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.521 -1.169 -4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.719 0.248 -1.913 1.00 0.00 H new ATOM 1160 N GLY A 76 10.352 -1.043 -4.475 1.00 0.00 N ATOM 1161 CA GLY A 76 9.758 -1.389 -5.755 1.00 0.00 C ATOM 1162 C GLY A 76 9.843 -2.896 -6.009 1.00 0.00 C ATOM 1163 O GLY A 76 9.020 -3.455 -6.732 1.00 0.00 O ATOM 0 H GLY A 76 11.282 -0.629 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.715 -1.072 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.269 -0.852 -6.554 1.00 0.00 H new ATOM 1167 N ASN A 77 10.847 -3.510 -5.400 1.00 0.00 N ATOM 1168 CA ASN A 77 11.050 -4.941 -5.551 1.00 0.00 C ATOM 1169 C ASN A 77 10.187 -5.685 -4.530 1.00 0.00 C ATOM 1170 O ASN A 77 9.865 -6.857 -4.721 1.00 0.00 O ATOM 1171 CB ASN A 77 12.511 -5.320 -5.299 1.00 0.00 C ATOM 1172 CG ASN A 77 13.111 -6.030 -6.514 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.420 -6.415 -7.444 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.431 -6.182 -6.455 1.00 0.00 N ATOM 0 H ASN A 77 11.528 -3.043 -4.801 1.00 0.00 H new ATOM 0 HA ASN A 77 10.777 -5.214 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.089 -4.424 -5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.577 -5.968 -4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.926 -6.644 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.949 -5.836 -5.647 1.00 0.00 H new ATOM 1181 N VAL A 78 9.836 -4.974 -3.469 1.00 0.00 N ATOM 1182 CA VAL A 78 9.016 -5.552 -2.418 1.00 0.00 C ATOM 1183 C VAL A 78 7.755 -6.159 -3.036 1.00 0.00 C ATOM 1184 O VAL A 78 7.251 -5.660 -4.041 1.00 0.00 O ATOM 1185 CB VAL A 78 8.711 -4.497 -1.352 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.452 -4.863 -0.563 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.907 -4.301 -0.417 1.00 0.00 C ATOM 0 H VAL A 78 10.105 -4.002 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 78 9.552 -6.357 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 78 8.524 -3.551 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.258 -4.097 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.603 -4.928 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.598 -5.825 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.664 -3.546 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.139 -5.243 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.771 -3.974 -0.995 1.00 0.00 H new ATOM 1197 N THR A 79 7.283 -7.226 -2.410 1.00 0.00 N ATOM 1198 CA THR A 79 6.090 -7.907 -2.886 1.00 0.00 C ATOM 1199 C THR A 79 5.188 -8.288 -1.711 1.00 0.00 C ATOM 1200 O THR A 79 5.674 -8.708 -0.661 1.00 0.00 O ATOM 1201 CB THR A 79 6.534 -9.106 -3.726 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.308 -9.893 -2.825 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.523 -8.717 -4.826 1.00 0.00 C ATOM 0 H THR A 79 7.705 -7.637 -1.577 1.00 0.00 H new ATOM 0 HA THR A 79 5.488 -7.254 -3.518 1.00 0.00 H new ATOM 0 HB THR A 79 5.660 -9.578 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.635 -10.693 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.805 -9.605 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.057 -7.993 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.412 -8.275 -4.376 1.00 0.00 H new ATOM 1211 N LEU A 80 3.891 -8.129 -1.926 1.00 0.00 N ATOM 1212 CA LEU A 80 2.917 -8.451 -0.897 1.00 0.00 C ATOM 1213 C LEU A 80 3.347 -9.730 -0.176 1.00 0.00 C ATOM 1214 O LEU A 80 3.094 -9.889 1.017 1.00 0.00 O ATOM 1215 CB LEU A 80 1.510 -8.526 -1.495 1.00 0.00 C ATOM 1216 CG LEU A 80 0.823 -7.185 -1.762 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.512 -7.388 -2.483 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.659 -6.386 -0.468 1.00 0.00 C ATOM 0 H LEU A 80 3.491 -7.781 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 80 2.879 -7.660 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.564 -9.077 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.880 -9.106 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 80 1.461 -6.599 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.980 -6.420 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.339 -7.888 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.169 -8.001 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.168 -5.437 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.052 -6.955 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.639 -6.195 -0.031 1.00 0.00 H new ATOM 1230 N GLY A 81 3.990 -10.609 -0.931 1.00 0.00 N ATOM 1231 CA GLY A 81 4.458 -11.869 -0.378 1.00 0.00 C ATOM 1232 C GLY A 81 5.484 -11.633 0.732 1.00 0.00 C ATOM 1233 O GLY A 81 5.332 -12.143 1.841 1.00 0.00 O ATOM 0 H GLY A 81 4.198 -10.474 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.613 -12.433 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.904 -12.474 -1.168 1.00 0.00 H new ATOM 1237 N ALA A 82 6.507 -10.861 0.395 1.00 0.00 N ATOM 1238 CA ALA A 82 7.557 -10.552 1.350 1.00 0.00 C ATOM 1239 C ALA A 82 6.959 -9.782 2.529 1.00 0.00 C ATOM 1240 O ALA A 82 7.561 -9.714 3.599 1.00 0.00 O ATOM 1241 CB ALA A 82 8.671 -9.772 0.648 1.00 0.00 C ATOM 0 H ALA A 82 6.631 -10.441 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 82 7.998 -11.467 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.459 -9.540 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.082 -10.374 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.266 -8.845 0.241 1.00 0.00 H new ATOM 1247 N LEU A 83 5.782 -9.222 2.292 1.00 0.00 N ATOM 1248 CA LEU A 83 5.096 -8.460 3.321 1.00 0.00 C ATOM 1249 C LEU A 83 4.199 -9.398 4.132 1.00 0.00 C ATOM 1250 O LEU A 83 3.542 -8.969 5.079 1.00 0.00 O ATOM 1251 CB LEU A 83 4.348 -7.277 2.703 1.00 0.00 C ATOM 1252 CG LEU A 83 5.194 -6.308 1.874 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.336 -5.172 1.314 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.381 -5.784 2.685 1.00 0.00 C ATOM 0 H LEU A 83 5.286 -9.281 1.403 1.00 0.00 H new ATOM 0 HA LEU A 83 5.815 -8.026 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.552 -7.667 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.870 -6.716 3.506 1.00 0.00 H new ATOM 0 HG LEU A 83 5.602 -6.853 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.962 -4.498 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.555 -5.586 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.880 -4.621 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.966 -5.098 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.015 -5.260 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.009 -6.620 2.993 1.00 0.00 H new ATOM 1266 N LYS A 84 4.201 -10.660 3.731 1.00 0.00 N ATOM 1267 CA LYS A 84 3.396 -11.662 4.408 1.00 0.00 C ATOM 1268 C LYS A 84 2.127 -11.006 4.955 1.00 0.00 C ATOM 1269 O LYS A 84 1.771 -11.205 6.115 1.00 0.00 O ATOM 1270 CB LYS A 84 4.224 -12.383 5.475 1.00 0.00 C ATOM 1271 CG LYS A 84 4.946 -11.381 6.378 1.00 0.00 C ATOM 1272 CD LYS A 84 3.995 -10.808 7.432 1.00 0.00 C ATOM 1273 CE LYS A 84 4.770 -10.265 8.633 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.843 -9.897 9.726 1.00 0.00 N ATOM 0 H LYS A 84 4.748 -11.012 2.945 1.00 0.00 H new ATOM 0 HA LYS A 84 3.080 -12.434 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.574 -13.018 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.953 -13.036 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.787 -11.869 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.356 -10.571 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.396 -10.011 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.303 -11.583 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.478 -11.015 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.352 -9.394 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.386 -9.530 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.184 -9.165 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.306 -10.737 10.023 1.00 0.00 H new ATOM 1288 N LEU A 85 1.478 -10.238 4.092 1.00 0.00 N ATOM 1289 CA LEU A 85 0.255 -9.552 4.473 1.00 0.00 C ATOM 1290 C LEU A 85 -0.878 -10.571 4.600 1.00 0.00 C ATOM 1291 O LEU A 85 -0.877 -11.595 3.918 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.047 -8.414 3.497 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.054 -7.004 4.091 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.075 -6.833 5.109 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.004 -5.944 2.988 1.00 0.00 C ATOM 0 H LEU A 85 1.776 -10.076 3.130 1.00 0.00 H new ATOM 0 HA LEU A 85 0.371 -9.081 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.690 -8.445 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.020 -8.600 3.043 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.994 -6.863 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.048 -5.822 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.948 -7.553 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.034 -7.001 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.002 -4.951 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.917 -6.074 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.861 -6.052 2.334 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.845 -10.247 5.500 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.982 -11.123 5.725 1.00 0.00 C ATOM 1309 C PRO A 86 -3.981 -11.032 4.569 1.00 0.00 C ATOM 1310 O PRO A 86 -4.340 -9.938 4.139 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.569 -10.673 7.053 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.028 -9.273 7.295 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.880 -9.043 6.325 1.00 0.00 C ATOM 0 HA PRO A 86 -2.701 -12.175 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.658 -10.670 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.278 -11.349 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.811 -8.530 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.685 -9.169 8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.046 -8.152 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.938 -8.898 6.854 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.400 -12.198 4.099 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.350 -12.264 3.001 1.00 0.00 C ATOM 1323 C PHE A 87 -6.750 -11.855 3.462 1.00 0.00 C ATOM 1324 O PHE A 87 -6.983 -11.661 4.655 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.386 -13.719 2.529 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.063 -14.217 1.944 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.280 -13.374 1.219 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.669 -15.502 2.150 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.051 -13.836 0.677 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.441 -15.964 1.608 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.658 -15.121 0.883 1.00 0.00 C ATOM 0 H PHE A 87 -4.099 -13.104 4.458 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.046 -11.585 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.662 -14.356 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.167 -13.827 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.593 -12.353 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.291 -16.171 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.429 -13.167 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.129 -16.985 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.724 -15.472 0.471 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.646 -11.736 2.494 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.017 -11.353 2.785 1.00 0.00 C ATOM 1343 C GLY A 88 -9.062 -10.170 3.754 1.00 0.00 C ATOM 1344 O GLY A 88 -9.958 -10.082 4.592 1.00 0.00 O ATOM 0 H GLY A 88 -7.449 -11.898 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.529 -11.089 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.552 -12.200 3.215 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.083 -9.289 3.608 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.999 -8.115 4.460 1.00 0.00 C ATOM 1350 C LYS A 89 -7.892 -6.863 3.586 1.00 0.00 C ATOM 1351 O LYS A 89 -7.867 -6.958 2.360 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.856 -8.263 5.465 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.289 -9.104 6.668 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.362 -8.252 7.936 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.791 -9.007 9.138 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.881 -9.456 10.033 1.00 0.00 N ATOM 0 H LYS A 89 -7.341 -9.365 2.912 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.905 -8.011 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.999 -8.730 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.534 -7.278 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.263 -9.553 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.585 -9.923 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.808 -7.325 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.398 -7.976 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.216 -9.867 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.104 -8.363 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.476 -9.967 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.412 -8.630 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.521 -10.088 9.511 1.00 0.00 H new ATOM 1370 N THR A 90 -7.831 -5.719 4.252 1.00 0.00 N ATOM 1371 CA THR A 90 -7.726 -4.450 3.552 1.00 0.00 C ATOM 1372 C THR A 90 -6.634 -3.583 4.180 1.00 0.00 C ATOM 1373 O THR A 90 -6.742 -3.186 5.340 1.00 0.00 O ATOM 1374 CB THR A 90 -9.106 -3.791 3.560 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.913 -4.663 2.773 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.128 -2.468 2.792 1.00 0.00 C ATOM 0 H THR A 90 -7.852 -5.645 5.269 1.00 0.00 H new ATOM 0 HA THR A 90 -7.425 -4.594 2.514 1.00 0.00 H new ATOM 0 HB THR A 90 -9.419 -3.618 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.826 -4.311 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.131 -2.042 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.422 -1.772 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.847 -2.645 1.754 1.00 0.00 H new ATOM 1384 N THR A 91 -5.607 -3.314 3.388 1.00 0.00 N ATOM 1385 CA THR A 91 -4.496 -2.501 3.852 1.00 0.00 C ATOM 1386 C THR A 91 -4.646 -1.061 3.357 1.00 0.00 C ATOM 1387 O THR A 91 -5.168 -0.826 2.268 1.00 0.00 O ATOM 1388 CB THR A 91 -3.198 -3.168 3.395 1.00 0.00 C ATOM 1389 OG1 THR A 91 -2.866 -4.051 4.463 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.023 -2.189 3.342 1.00 0.00 C ATOM 0 H THR A 91 -5.521 -3.645 2.427 1.00 0.00 H new ATOM 0 HA THR A 91 -4.480 -2.438 4.940 1.00 0.00 H new ATOM 0 HB THR A 91 -3.346 -3.611 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.036 -4.526 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.127 -2.714 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.251 -1.385 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.853 -1.770 4.334 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.179 -0.134 4.181 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.254 1.277 3.840 1.00 0.00 C ATOM 1400 C VAL A 92 -2.887 1.751 3.344 1.00 0.00 C ATOM 1401 O VAL A 92 -1.888 1.624 4.050 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.766 2.078 5.039 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.675 3.582 4.772 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.195 1.670 5.401 1.00 0.00 C ATOM 0 H VAL A 92 -3.747 -0.332 5.084 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.966 1.437 3.031 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.127 1.850 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.045 4.129 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.637 3.856 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.279 3.834 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.535 2.254 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.852 1.855 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.218 0.610 5.654 1.00 0.00 H new ATOM 1414 N MET A 93 -2.886 2.288 2.133 1.00 0.00 N ATOM 1415 CA MET A 93 -1.658 2.782 1.534 1.00 0.00 C ATOM 1416 C MET A 93 -1.931 3.997 0.645 1.00 0.00 C ATOM 1417 O MET A 93 -2.977 4.078 0.003 1.00 0.00 O ATOM 1418 CB MET A 93 -1.015 1.673 0.699 1.00 0.00 C ATOM 1419 CG MET A 93 -0.368 0.616 1.596 1.00 0.00 C ATOM 1420 SD MET A 93 -0.076 -0.879 0.665 1.00 0.00 S ATOM 1421 CE MET A 93 0.910 -1.790 1.843 1.00 0.00 C ATOM 0 H MET A 93 -3.717 2.392 1.550 1.00 0.00 H new ATOM 0 HA MET A 93 -0.983 3.085 2.334 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.769 1.206 0.066 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.264 2.102 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.572 0.994 1.997 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.015 0.404 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.900 -2.849 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.935 -1.421 1.822 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.497 -1.657 2.843 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.972 4.912 0.637 1.00 0.00 N ATOM 1432 CA HIS A 94 -1.097 6.119 -0.162 1.00 0.00 C ATOM 1433 C HIS A 94 -0.225 5.997 -1.414 1.00 0.00 C ATOM 1434 O HIS A 94 0.642 5.128 -1.489 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.767 7.358 0.671 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.904 7.831 1.545 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.231 9.168 1.692 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.787 7.132 2.315 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.265 9.258 2.515 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.608 7.995 2.901 1.00 0.00 N ATOM 0 H HIS A 94 -0.106 4.841 1.171 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.130 6.238 -0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.096 7.141 1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.477 8.167 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.814 6.058 2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.751 10.171 2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.370 7.754 3.535 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.487 6.881 -2.366 1.00 0.00 N ATOM 1449 CA LEU A 95 0.262 6.883 -3.611 1.00 0.00 C ATOM 1450 C LEU A 95 0.808 8.289 -3.869 1.00 0.00 C ATOM 1451 O LEU A 95 0.190 9.280 -3.483 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.596 6.338 -4.754 1.00 0.00 C ATOM 1453 CG LEU A 95 0.142 5.517 -5.814 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.843 4.862 -6.784 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.182 6.371 -6.542 1.00 0.00 C ATOM 0 H LEU A 95 -1.207 7.600 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 95 1.120 6.214 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.384 5.718 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.084 7.178 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 95 0.680 4.714 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.293 4.285 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.511 4.201 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.428 5.633 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.692 5.764 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.686 7.209 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.910 6.749 -5.824 1.00 0.00 H new ATOM 1467 N VAL A 96 1.961 8.331 -4.521 1.00 0.00 N ATOM 1468 CA VAL A 96 2.597 9.598 -4.836 1.00 0.00 C ATOM 1469 C VAL A 96 3.417 9.448 -6.119 1.00 0.00 C ATOM 1470 O VAL A 96 3.768 8.335 -6.509 1.00 0.00 O ATOM 1471 CB VAL A 96 3.432 10.075 -3.645 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.549 10.319 -2.420 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.550 9.080 -3.326 1.00 0.00 C ATOM 0 H VAL A 96 2.471 7.507 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 96 1.846 10.367 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 96 3.895 11.023 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.167 10.657 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.806 11.081 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.045 9.393 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.128 9.443 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.116 8.110 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.204 8.977 -4.192 1.00 0.00 H new ATOM 1483 N ALA A 97 3.700 10.584 -6.739 1.00 0.00 N ATOM 1484 CA ALA A 97 4.472 10.593 -7.970 1.00 0.00 C ATOM 1485 C ALA A 97 5.608 11.611 -7.847 1.00 0.00 C ATOM 1486 O ALA A 97 5.373 12.817 -7.906 1.00 0.00 O ATOM 1487 CB ALA A 97 3.547 10.891 -9.151 1.00 0.00 C ATOM 0 H ALA A 97 3.408 11.505 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 97 4.922 9.616 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.126 10.898 -10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.776 10.123 -9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.079 11.865 -9.010 1.00 0.00 H new ATOM 1493 N ARG A 98 6.813 11.088 -7.679 1.00 0.00 N ATOM 1494 CA ARG A 98 7.985 11.937 -7.548 1.00 0.00 C ATOM 1495 C ARG A 98 9.248 11.161 -7.927 1.00 0.00 C ATOM 1496 O ARG A 98 9.291 9.938 -7.800 1.00 0.00 O ATOM 1497 CB ARG A 98 8.128 12.462 -6.118 1.00 0.00 C ATOM 1498 CG ARG A 98 8.720 13.873 -6.108 1.00 0.00 C ATOM 1499 CD ARG A 98 7.631 14.926 -6.319 1.00 0.00 C ATOM 1500 NE ARG A 98 8.246 16.254 -6.539 1.00 0.00 N ATOM 1501 CZ ARG A 98 7.554 17.364 -6.830 1.00 0.00 C ATOM 1502 NH1 ARG A 98 6.219 17.312 -6.938 1.00 0.00 N ATOM 1503 NH2 ARG A 98 8.197 18.525 -7.013 1.00 0.00 N ATOM 0 H ARG A 98 7.004 10.087 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 98 7.858 12.783 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.153 12.469 -5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.767 11.792 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.225 14.052 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.473 13.961 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.014 14.656 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.974 14.960 -5.450 1.00 0.00 H new ATOM 0 HE ARG A 98 9.260 16.329 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.730 16.428 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.692 18.157 -7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.213 18.564 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.671 19.370 -7.235 1.00 0.00 H new ATOM 1517 N GLU A 99 10.245 11.903 -8.386 1.00 0.00 N ATOM 1518 CA GLU A 99 11.505 11.299 -8.785 1.00 0.00 C ATOM 1519 C GLU A 99 12.633 11.768 -7.863 1.00 0.00 C ATOM 1520 O GLU A 99 13.730 11.211 -7.886 1.00 0.00 O ATOM 1521 CB GLU A 99 11.826 11.614 -10.247 1.00 0.00 C ATOM 1522 CG GLU A 99 12.934 10.700 -10.775 1.00 0.00 C ATOM 1523 CD GLU A 99 13.931 11.485 -11.629 1.00 0.00 C ATOM 1524 OE1 GLU A 99 13.457 12.296 -12.455 1.00 0.00 O ATOM 1525 OE2 GLU A 99 15.145 11.257 -11.437 1.00 0.00 O ATOM 0 H GLU A 99 10.206 12.917 -8.491 1.00 0.00 H new ATOM 0 HA GLU A 99 11.412 10.217 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.929 11.492 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.134 12.655 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.454 10.233 -9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.496 9.896 -11.367 1.00 0.00 H new ATOM 1532 N THR A 100 12.325 12.786 -7.074 1.00 0.00 N ATOM 1533 CA THR A 100 13.299 13.336 -6.146 1.00 0.00 C ATOM 1534 C THR A 100 14.553 13.789 -6.896 1.00 0.00 C ATOM 1535 O THR A 100 14.782 13.380 -8.034 1.00 0.00 O ATOM 1536 CB THR A 100 13.580 12.280 -5.075 1.00 0.00 C ATOM 1537 OG1 THR A 100 14.763 11.629 -5.531 1.00 0.00 O ATOM 1538 CG2 THR A 100 12.528 11.169 -5.057 1.00 0.00 C ATOM 0 H THR A 100 11.414 13.245 -7.058 1.00 0.00 H new ATOM 0 HA THR A 100 12.914 14.228 -5.651 1.00 0.00 H new ATOM 0 HB THR A 100 13.620 12.758 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.577 11.166 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 100 12.775 10.447 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.547 11.600 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 100 12.511 10.668 -6.025 1.00 0.00 H new ATOM 1546 N LEU A 101 15.332 14.628 -6.229 1.00 0.00 N ATOM 1547 CA LEU A 101 16.557 15.141 -6.819 1.00 0.00 C ATOM 1548 C LEU A 101 17.472 13.971 -7.182 1.00 0.00 C ATOM 1549 O LEU A 101 17.395 12.905 -6.573 1.00 0.00 O ATOM 1550 CB LEU A 101 17.209 16.167 -5.890 1.00 0.00 C ATOM 1551 CG LEU A 101 16.315 17.322 -5.432 1.00 0.00 C ATOM 1552 CD1 LEU A 101 16.928 18.047 -4.232 1.00 0.00 C ATOM 1553 CD2 LEU A 101 16.018 18.278 -6.589 1.00 0.00 C ATOM 0 H LEU A 101 15.139 14.965 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 101 16.340 15.675 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.576 15.645 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 101 18.078 16.586 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 101 15.362 16.907 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 101 16.273 18.863 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 101 17.045 17.347 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.903 18.448 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.381 19.089 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 101 16.953 18.690 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.508 17.737 -7.386 1.00 0.00 H new ATOM 1565 N PRO A 102 18.341 14.215 -8.199 1.00 0.00 N ATOM 1566 CA PRO A 102 19.271 13.194 -8.651 1.00 0.00 C ATOM 1567 C PRO A 102 20.424 13.026 -7.660 1.00 0.00 C ATOM 1568 O PRO A 102 21.522 13.533 -7.888 1.00 0.00 O ATOM 1569 CB PRO A 102 19.730 13.659 -10.024 1.00 0.00 C ATOM 1570 CG PRO A 102 19.404 15.142 -10.092 1.00 0.00 C ATOM 1571 CD PRO A 102 18.461 15.465 -8.944 1.00 0.00 C ATOM 0 HA PRO A 102 18.814 12.206 -8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.798 13.487 -10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.218 13.110 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.314 15.737 -10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 102 18.940 15.388 -11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.859 16.263 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 102 17.491 15.802 -9.311 1.00 0.00 H new ATOM 1579 N GLU A 103 20.137 12.312 -6.582 1.00 0.00 N ATOM 1580 CA GLU A 103 21.136 12.071 -5.556 1.00 0.00 C ATOM 1581 C GLU A 103 21.585 10.608 -5.585 1.00 0.00 C ATOM 1582 O GLU A 103 20.829 9.732 -6.002 1.00 0.00 O ATOM 1583 CB GLU A 103 20.606 12.454 -4.173 1.00 0.00 C ATOM 1584 CG GLU A 103 19.863 11.283 -3.526 1.00 0.00 C ATOM 1585 CD GLU A 103 19.216 11.707 -2.206 1.00 0.00 C ATOM 1586 OE1 GLU A 103 19.968 11.809 -1.213 1.00 0.00 O ATOM 1587 OE2 GLU A 103 17.984 11.918 -2.219 1.00 0.00 O ATOM 0 H GLU A 103 19.226 11.892 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 103 22.001 12.701 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.434 12.761 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.937 13.310 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.098 10.912 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.557 10.461 -3.348 1.00 0.00 H new ATOM 1594 N PRO A 104 22.844 10.384 -5.124 1.00 0.00 N ATOM 1595 CA PRO A 104 23.402 9.042 -5.093 1.00 0.00 C ATOM 1596 C PRO A 104 22.801 8.224 -3.949 1.00 0.00 C ATOM 1597 O PRO A 104 23.529 7.662 -3.133 1.00 0.00 O ATOM 1598 CB PRO A 104 24.902 9.243 -4.955 1.00 0.00 C ATOM 1599 CG PRO A 104 25.088 10.664 -4.448 1.00 0.00 C ATOM 1600 CD PRO A 104 23.767 11.397 -4.622 1.00 0.00 C ATOM 0 HA PRO A 104 23.171 8.470 -5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 104 25.330 8.521 -4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.405 9.101 -5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 104 25.387 10.659 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.880 11.167 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 104 23.419 11.816 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 104 23.864 12.226 -5.323 1.00 0.00 H new ATOM 1608 N ASN A 105 21.476 8.183 -3.926 1.00 0.00 N ATOM 1609 CA ASN A 105 20.769 7.443 -2.895 1.00 0.00 C ATOM 1610 C ASN A 105 20.967 5.944 -3.123 1.00 0.00 C ATOM 1611 O ASN A 105 20.208 5.319 -3.862 1.00 0.00 O ATOM 1612 CB ASN A 105 19.267 7.734 -2.941 1.00 0.00 C ATOM 1613 CG ASN A 105 18.710 7.965 -1.534 1.00 0.00 C ATOM 1614 OD1 ASN A 105 19.143 7.368 -0.562 1.00 0.00 O ATOM 1615 ND2 ASN A 105 17.729 8.861 -1.482 1.00 0.00 N ATOM 0 H ASN A 105 20.875 8.650 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 105 21.167 7.749 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.082 8.613 -3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.745 6.900 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.290 9.086 -0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.415 9.324 -2.335 1.00 0.00 H new ATOM 1622 N SER A 106 21.991 5.409 -2.473 1.00 0.00 N ATOM 1623 CA SER A 106 22.298 3.994 -2.596 1.00 0.00 C ATOM 1624 C SER A 106 23.433 3.621 -1.640 1.00 0.00 C ATOM 1625 O SER A 106 24.603 3.646 -2.020 1.00 0.00 O ATOM 1626 CB SER A 106 22.675 3.635 -4.034 1.00 0.00 C ATOM 1627 OG SER A 106 23.252 2.335 -4.126 1.00 0.00 O ATOM 0 H SER A 106 22.618 5.930 -1.860 1.00 0.00 H new ATOM 0 HA SER A 106 21.406 3.426 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 106 21.787 3.683 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 106 23.379 4.372 -4.419 1.00 0.00 H new ATOM 0 HG SER A 106 23.478 2.143 -5.060 1.00 0.00 H new ATOM 1633 N GLN A 107 23.048 3.283 -0.418 1.00 0.00 N ATOM 1634 CA GLN A 107 24.019 2.905 0.594 1.00 0.00 C ATOM 1635 C GLN A 107 23.316 2.248 1.784 1.00 0.00 C ATOM 1636 O GLN A 107 22.229 2.668 2.177 1.00 0.00 O ATOM 1637 CB GLN A 107 24.843 4.113 1.043 1.00 0.00 C ATOM 1638 CG GLN A 107 23.965 5.137 1.766 1.00 0.00 C ATOM 1639 CD GLN A 107 24.348 6.565 1.370 1.00 0.00 C ATOM 1640 OE1 GLN A 107 24.206 6.980 0.232 1.00 0.00 O ATOM 1641 NE2 GLN A 107 24.842 7.289 2.370 1.00 0.00 N ATOM 0 H GLN A 107 22.077 3.263 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 107 24.707 2.181 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 107 25.645 3.785 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 107 25.314 4.579 0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 107 22.917 4.958 1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 107 24.070 5.014 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 107 24.934 6.879 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 107 25.129 8.254 2.208 1.00 0.00 H new ATOM 1650 N GLY A 108 23.967 1.229 2.326 1.00 0.00 N ATOM 1651 CA GLY A 108 23.418 0.510 3.463 1.00 0.00 C ATOM 1652 C GLY A 108 24.519 -0.224 4.231 1.00 0.00 C ATOM 1653 O GLY A 108 24.585 -1.452 4.205 1.00 0.00 O ATOM 0 H GLY A 108 24.869 0.884 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 108 22.909 1.208 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 108 22.671 -0.205 3.119 1.00 0.00 H new ATOM 1657 N GLN A 109 25.355 0.559 4.896 1.00 0.00 N ATOM 1658 CA GLN A 109 26.450 -0.002 5.670 1.00 0.00 C ATOM 1659 C GLN A 109 27.115 1.087 6.514 1.00 0.00 C ATOM 1660 O GLN A 109 27.161 0.987 7.739 1.00 0.00 O ATOM 1661 CB GLN A 109 27.469 -0.689 4.760 1.00 0.00 C ATOM 1662 CG GLN A 109 28.304 -1.707 5.540 1.00 0.00 C ATOM 1663 CD GLN A 109 27.407 -2.727 6.244 1.00 0.00 C ATOM 1664 OE1 GLN A 109 27.140 -2.428 7.513 1.00 0.00 O flip ATOM 1665 NE2 GLN A 109 26.985 -3.719 5.674 1.00 0.00 N flip ATOM 0 H GLN A 109 25.297 1.577 4.915 1.00 0.00 H new ATOM 0 HA GLN A 109 26.044 -0.759 6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 109 26.951 -1.189 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 109 28.125 0.058 4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 109 28.983 -2.222 4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 109 28.920 -1.190 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 109 27.228 -3.889 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 109 26.389 -4.379 6.173 1.00 0.00 H new ATOM 1674 N ARG A 110 27.615 2.102 5.826 1.00 0.00 N ATOM 1675 CA ARG A 110 28.276 3.209 6.497 1.00 0.00 C ATOM 1676 C ARG A 110 29.408 2.690 7.385 1.00 0.00 C ATOM 1677 O ARG A 110 29.198 2.412 8.565 1.00 0.00 O ATOM 1678 CB ARG A 110 27.288 4.003 7.353 1.00 0.00 C ATOM 1679 CG ARG A 110 27.264 5.476 6.939 1.00 0.00 C ATOM 1680 CD ARG A 110 26.430 6.307 7.917 1.00 0.00 C ATOM 1681 NE ARG A 110 25.615 7.294 7.174 1.00 0.00 N ATOM 1682 CZ ARG A 110 26.127 8.295 6.445 1.00 0.00 C ATOM 1683 NH1 ARG A 110 27.455 8.447 6.355 1.00 0.00 N ATOM 1684 NH2 ARG A 110 25.310 9.143 5.805 1.00 0.00 N ATOM 0 H ARG A 110 27.576 2.182 4.810 1.00 0.00 H new ATOM 0 HA ARG A 110 28.684 3.867 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 110 26.290 3.577 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 110 27.565 3.921 8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 110 28.282 5.864 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 110 26.852 5.568 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 110 25.782 5.654 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 110 27.085 6.820 8.622 1.00 0.00 H new ATOM 0 HE ARG A 110 24.600 7.207 7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 110 28.076 7.801 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 110 27.845 9.209 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 110 24.299 9.026 5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.699 9.905 5.250 1.00 0.00 H new ATOM 1698 N SER A 111 30.584 2.576 6.785 1.00 0.00 N ATOM 1699 CA SER A 111 31.750 2.096 7.507 1.00 0.00 C ATOM 1700 C SER A 111 32.985 2.156 6.607 1.00 0.00 C ATOM 1701 O SER A 111 32.990 1.588 5.515 1.00 0.00 O ATOM 1702 CB SER A 111 31.533 0.670 8.017 1.00 0.00 C ATOM 1703 OG SER A 111 31.410 0.623 9.436 1.00 0.00 O ATOM 0 H SER A 111 30.754 2.808 5.806 1.00 0.00 H new ATOM 0 HA SER A 111 31.907 2.742 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 111 30.634 0.255 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 111 32.368 0.042 7.705 1.00 0.00 H new ATOM 0 HG SER A 111 30.644 1.166 9.716 1.00 0.00 H new ATOM 1709 N GLY A 112 34.002 2.849 7.096 1.00 0.00 N ATOM 1710 CA GLY A 112 35.240 2.990 6.349 1.00 0.00 C ATOM 1711 C GLY A 112 36.121 4.088 6.950 1.00 0.00 C ATOM 1712 O GLY A 112 35.778 5.267 6.888 1.00 0.00 O ATOM 0 H GLY A 112 33.994 3.319 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 112 35.780 2.043 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 112 35.016 3.227 5.309 1.00 0.00 H new ATOM 1716 N PRO A 113 37.269 3.649 7.532 1.00 0.00 N ATOM 1717 CA PRO A 113 38.201 4.581 8.144 1.00 0.00 C ATOM 1718 C PRO A 113 38.992 5.343 7.079 1.00 0.00 C ATOM 1719 O PRO A 113 39.037 4.931 5.920 1.00 0.00 O ATOM 1720 CB PRO A 113 39.082 3.725 9.039 1.00 0.00 C ATOM 1721 CG PRO A 113 38.917 2.297 8.545 1.00 0.00 C ATOM 1722 CD PRO A 113 37.708 2.260 7.624 1.00 0.00 C ATOM 0 HA PRO A 113 37.701 5.357 8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 113 40.123 4.041 8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 113 38.782 3.814 10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 113 39.811 1.971 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 113 38.778 1.616 9.385 1.00 0.00 H new ATOM 0 HD2 PRO A 113 37.969 1.862 6.644 1.00 0.00 H new ATOM 0 HD3 PRO A 113 36.922 1.622 8.028 1.00 0.00 H new ATOM 1730 N SER A 114 39.597 6.440 7.509 1.00 0.00 N ATOM 1731 CA SER A 114 40.384 7.264 6.607 1.00 0.00 C ATOM 1732 C SER A 114 41.848 7.274 7.051 1.00 0.00 C ATOM 1733 O SER A 114 42.155 6.952 8.198 1.00 0.00 O ATOM 1734 CB SER A 114 39.838 8.692 6.546 1.00 0.00 C ATOM 1735 OG SER A 114 39.781 9.297 7.835 1.00 0.00 O ATOM 0 H SER A 114 39.558 6.778 8.471 1.00 0.00 H new ATOM 0 HA SER A 114 40.317 6.836 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 114 40.468 9.293 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 114 38.841 8.680 6.106 1.00 0.00 H new ATOM 0 HG SER A 114 39.429 10.208 7.754 1.00 0.00 H new ATOM 1741 N SER A 115 42.714 7.647 6.119 1.00 0.00 N ATOM 1742 CA SER A 115 44.138 7.703 6.400 1.00 0.00 C ATOM 1743 C SER A 115 44.780 8.853 5.620 1.00 0.00 C ATOM 1744 O SER A 115 44.143 9.453 4.756 1.00 0.00 O ATOM 1745 CB SER A 115 44.821 6.379 6.052 1.00 0.00 C ATOM 1746 OG SER A 115 45.208 5.656 7.217 1.00 0.00 O ATOM 0 H SER A 115 42.456 7.913 5.169 1.00 0.00 H new ATOM 0 HA SER A 115 44.269 7.878 7.468 1.00 0.00 H new ATOM 0 HB2 SER A 115 44.144 5.768 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 115 45.700 6.575 5.438 1.00 0.00 H new ATOM 0 HG SER A 115 45.639 4.816 6.953 1.00 0.00 H new ATOM 1752 N GLY A 116 46.033 9.124 5.954 1.00 0.00 N ATOM 1753 CA GLY A 116 46.768 10.191 5.296 1.00 0.00 C ATOM 1754 C GLY A 116 46.882 11.419 6.202 1.00 0.00 C ATOM 1755 O GLY A 116 47.401 11.328 7.313 1.00 0.00 O ATOM 0 H GLY A 116 46.558 8.624 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 116 47.764 9.839 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 116 46.266 10.465 4.368 1.00 0.00 H new TER 1759 GLY A 116