USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 933 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 108 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.04) USER MOD Set 1.2: A 111 SER OG : rot -26:sc= 0.471 USER MOD Set 1.3: B 117 U O2' : rot -166:sc= 0.0145 USER MOD Set 2.1: A 98 LYS NZ :NH3+ 161:sc= 0.236 (180deg=0.149) USER MOD Set 2.2: B 115 U O5' : rot 180:sc= 0 USER MOD Set 3.1: A 79 ASN :FLIP amide:sc= 0.575 F(o=0.46,f=1.2) USER MOD Set 3.2: A 82 SER OG : rot 101:sc= 0.644 USER MOD Set 4.1: A 30 ASN : amide:sc= 1.06 K(o=2.4,f=-1.4) USER MOD Set 4.2: A 76 SER OG : rot 77:sc= 1.38 USER MOD Set 5.1: A 70 LYS NZ :NH3+ 161:sc= 0.378 (180deg=0) USER MOD Set 5.2: B 119 A O3' : rot -163:sc= 1.21 USER MOD Set 6.1: A 43 GLN : amide:sc= 0.527 K(o=0.61,f=-0.47) USER MOD Set 6.2: A 47 GLN : amide:sc= 0.0808 K(o=0.61,f=-0.47) USER MOD Set 7.1: A 19 SER OG : rot 180:sc= 0.115 USER MOD Set 7.2: A 20 HIS : no HD1:sc= 0.0746 K(o=0.19,f=-1.2) USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00701 (180deg=-0.241) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0144 (180deg=-0.392) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0.384 K(o=0.38,f=-2.1!) USER MOD Single : A 6 HIS : no HD1:sc= 0.379 K(o=0.38,f=-2.1!) USER MOD Single : A 7 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-1.7) USER MOD Single : A 8 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 9 HIS : no HD1:sc= -0.0859 K(o=-0.086,f=-1.9) USER MOD Single : A 10 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.3) USER MOD Single : A 11 SER OG : rot -47:sc= 0.541 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 132:sc= -0.0166 (180deg=-0.317) USER MOD Single : A 22 GLN : amide:sc= -1.41 X(o=-1.4,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.25) USER MOD Single : A 34 TYR OH : rot -123:sc= 0.757 USER MOD Single : A 35 HIS : +bothHN:sc= -1.6 K(o=-1.6,f=-9.1!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.0987) USER MOD Single : A 50 MET CE :methyl -116:sc= -1.12 (180deg=-1.47) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 57 SER OG : rot -100:sc=-0.00978 USER MOD Single : A 59 LYS NZ :NH3+ -117:sc= 0.959 (180deg=-0.964) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc=-0.00422 (180deg=-0.0756) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0322 F(o=-0.7,f=-0.032) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 67 ASN : amide:sc=-0.00567 K(o=-0.0057,f=-0.99) USER MOD Single : A 69 SER OG : rot 180:sc= 0.22 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 30:sc= 0.397 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.62 F(o=-1.2,f=-0.62) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 90 MET CE :methyl -175:sc= -0.478 (180deg=-0.567) USER MOD Single : A 91 ASN : amide:sc=-0.00732 K(o=-0.0073,f=-1.7) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 97 MET CE :methyl -166:sc= -0.0106 (180deg=-0.245) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0.532 (180deg=0.527) USER MOD Single : A 103 GLN : amide:sc= -0.0195 K(o=-0.02,f=-3.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0.925 (180deg=0.925) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= 0.64 (180deg=0.244) USER MOD Single : B 115 U O2' : rot 34:sc= 0.14 USER MOD Single : B 116 U O2' : rot -46:sc= 1.18 USER MOD Single : B 118 A O2' : rot 34:sc= 1.57 USER MOD Single : B 119 A O2' : rot 154:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.413 27.265 -49.377 1.00 0.00 N ATOM 2 CA MET A 1 11.706 26.697 -48.942 1.00 0.00 C ATOM 3 C MET A 1 12.617 26.444 -50.137 1.00 0.00 C ATOM 4 O MET A 1 12.153 26.418 -51.276 1.00 0.00 O ATOM 5 CB MET A 1 11.508 25.402 -48.150 1.00 0.00 C ATOM 6 CG MET A 1 10.683 25.657 -46.884 1.00 0.00 C ATOM 7 SD MET A 1 10.457 24.206 -45.825 1.00 0.00 S ATOM 8 CE MET A 1 9.460 23.171 -46.929 1.00 0.00 C ATOM 0 H1 MET A 1 10.190 28.101 -48.800 1.00 0.00 H new ATOM 0 H2 MET A 1 10.474 27.541 -50.378 1.00 0.00 H new ATOM 0 H3 MET A 1 9.664 26.553 -49.259 1.00 0.00 H new ATOM 0 HA MET A 1 12.180 27.429 -48.288 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.006 24.663 -48.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.478 24.985 -47.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.167 26.442 -46.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.703 26.034 -47.175 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.035 22.341 -46.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.655 23.767 -47.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.089 22.781 -47.729 1.00 0.00 H new ATOM 20 N GLY A 2 13.918 26.265 -49.881 1.00 0.00 N ATOM 21 CA GLY A 2 14.901 26.017 -50.928 1.00 0.00 C ATOM 22 C GLY A 2 15.274 27.288 -51.688 1.00 0.00 C ATOM 23 O GLY A 2 15.964 27.216 -52.702 1.00 0.00 O ATOM 0 H GLY A 2 14.313 26.289 -48.941 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.798 25.585 -50.485 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.505 25.281 -51.628 1.00 0.00 H new ATOM 27 N SER A 3 14.821 28.453 -51.208 1.00 0.00 N ATOM 28 CA SER A 3 15.080 29.742 -51.840 1.00 0.00 C ATOM 29 C SER A 3 16.528 30.197 -51.664 1.00 0.00 C ATOM 30 O SER A 3 16.926 31.225 -52.211 1.00 0.00 O ATOM 31 CB SER A 3 14.136 30.790 -51.252 1.00 0.00 C ATOM 32 OG SER A 3 12.793 30.410 -51.487 1.00 0.00 O ATOM 0 H SER A 3 14.258 28.522 -50.360 1.00 0.00 H new ATOM 0 HA SER A 3 14.905 29.627 -52.910 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.313 30.892 -50.181 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.332 31.763 -51.702 1.00 0.00 H new ATOM 0 HG SER A 3 12.191 31.084 -51.107 1.00 0.00 H new ATOM 38 N SER A 4 17.322 29.444 -50.900 1.00 0.00 N ATOM 39 CA SER A 4 18.719 29.765 -50.638 1.00 0.00 C ATOM 40 C SER A 4 19.490 28.501 -50.274 1.00 0.00 C ATOM 41 O SER A 4 18.896 27.456 -50.010 1.00 0.00 O ATOM 42 CB SER A 4 18.803 30.786 -49.503 1.00 0.00 C ATOM 43 OG SER A 4 18.296 30.227 -48.305 1.00 0.00 O ATOM 0 H SER A 4 17.007 28.588 -50.444 1.00 0.00 H new ATOM 0 HA SER A 4 19.165 30.193 -51.536 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.838 31.096 -49.359 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.236 31.679 -49.765 1.00 0.00 H new ATOM 0 HG SER A 4 18.356 30.888 -47.584 1.00 0.00 H new ATOM 49 N HIS A 5 20.823 28.595 -50.258 1.00 0.00 N ATOM 50 CA HIS A 5 21.692 27.483 -49.893 1.00 0.00 C ATOM 51 C HIS A 5 21.566 27.156 -48.407 1.00 0.00 C ATOM 52 O HIS A 5 21.069 27.960 -47.623 1.00 0.00 O ATOM 53 CB HIS A 5 23.138 27.833 -50.241 1.00 0.00 C ATOM 54 CG HIS A 5 23.628 29.089 -49.569 1.00 0.00 C ATOM 55 ND1 HIS A 5 23.205 30.391 -49.869 1.00 0.00 N ATOM 56 CD2 HIS A 5 24.579 29.144 -48.588 1.00 0.00 C ATOM 57 CE1 HIS A 5 23.910 31.192 -49.051 1.00 0.00 C ATOM 58 NE2 HIS A 5 24.737 30.474 -48.272 1.00 0.00 N ATOM 0 H HIS A 5 21.327 29.449 -50.499 1.00 0.00 H new ATOM 0 HA HIS A 5 21.388 26.600 -50.455 1.00 0.00 H new ATOM 0 HB2 HIS A 5 23.784 27.002 -49.957 1.00 0.00 H new ATOM 0 HB3 HIS A 5 23.226 27.950 -51.321 1.00 0.00 H new ATOM 0 HD2 HIS A 5 25.103 28.308 -48.148 1.00 0.00 H new ATOM 0 HE1 HIS A 5 23.823 32.268 -49.024 1.00 0.00 H new ATOM 0 HE2 HIS A 5 25.372 30.850 -47.568 1.00 0.00 H new ATOM 66 N HIS A 6 22.019 25.960 -48.023 1.00 0.00 N ATOM 67 CA HIS A 6 21.970 25.504 -46.638 1.00 0.00 C ATOM 68 C HIS A 6 22.972 26.267 -45.773 1.00 0.00 C ATOM 69 O HIS A 6 23.883 26.919 -46.282 1.00 0.00 O ATOM 70 CB HIS A 6 22.238 24.000 -46.590 1.00 0.00 C ATOM 71 CG HIS A 6 23.569 23.606 -47.175 1.00 0.00 C ATOM 72 ND1 HIS A 6 23.913 23.676 -48.528 1.00 0.00 N ATOM 73 CD2 HIS A 6 24.615 23.092 -46.468 1.00 0.00 C ATOM 74 CE1 HIS A 6 25.170 23.204 -48.598 1.00 0.00 C ATOM 75 NE2 HIS A 6 25.615 22.846 -47.378 1.00 0.00 N ATOM 0 H HIS A 6 22.429 25.283 -48.666 1.00 0.00 H new ATOM 0 HA HIS A 6 20.977 25.702 -46.234 1.00 0.00 H new ATOM 0 HB2 HIS A 6 22.192 23.664 -45.554 1.00 0.00 H new ATOM 0 HB3 HIS A 6 21.446 23.481 -47.129 1.00 0.00 H new ATOM 0 HD2 HIS A 6 24.651 22.913 -45.403 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.745 23.123 -49.509 1.00 0.00 H new ATOM 0 HE2 HIS A 6 26.535 22.459 -47.166 1.00 0.00 H new ATOM 83 N HIS A 7 22.803 26.182 -44.451 1.00 0.00 N ATOM 84 CA HIS A 7 23.682 26.848 -43.497 1.00 0.00 C ATOM 85 C HIS A 7 25.088 26.250 -43.534 1.00 0.00 C ATOM 86 O HIS A 7 25.274 25.107 -43.953 1.00 0.00 O ATOM 87 CB HIS A 7 23.080 26.749 -42.091 1.00 0.00 C ATOM 88 CG HIS A 7 22.787 25.335 -41.660 1.00 0.00 C ATOM 89 ND1 HIS A 7 23.738 24.350 -41.380 1.00 0.00 N ATOM 90 CD2 HIS A 7 21.540 24.821 -41.449 1.00 0.00 C ATOM 91 CE1 HIS A 7 23.037 23.263 -41.021 1.00 0.00 C ATOM 92 NE2 HIS A 7 21.717 23.514 -41.055 1.00 0.00 N ATOM 0 H HIS A 7 22.051 25.648 -44.015 1.00 0.00 H new ATOM 0 HA HIS A 7 23.769 27.899 -43.772 1.00 0.00 H new ATOM 0 HB2 HIS A 7 23.768 27.203 -41.377 1.00 0.00 H new ATOM 0 HB3 HIS A 7 22.158 27.329 -42.058 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.599 25.338 -41.568 1.00 0.00 H new ATOM 0 HE1 HIS A 7 23.474 22.315 -40.743 1.00 0.00 H new ATOM 0 HE2 HIS A 7 20.975 22.851 -40.828 1.00 0.00 H new ATOM 100 N HIS A 8 26.082 27.024 -43.091 1.00 0.00 N ATOM 101 CA HIS A 8 27.473 26.591 -43.076 1.00 0.00 C ATOM 102 C HIS A 8 27.769 25.701 -41.862 1.00 0.00 C ATOM 103 O HIS A 8 28.867 25.159 -41.738 1.00 0.00 O ATOM 104 CB HIS A 8 28.364 27.834 -43.080 1.00 0.00 C ATOM 105 CG HIS A 8 29.828 27.518 -43.231 1.00 0.00 C ATOM 106 ND1 HIS A 8 30.419 26.942 -44.359 1.00 0.00 N ATOM 107 CD2 HIS A 8 30.796 27.781 -42.301 1.00 0.00 C ATOM 108 CE1 HIS A 8 31.731 26.871 -44.077 1.00 0.00 C ATOM 109 NE2 HIS A 8 31.985 27.364 -42.852 1.00 0.00 N ATOM 0 H HIS A 8 25.940 27.969 -42.733 1.00 0.00 H new ATOM 0 HA HIS A 8 27.677 25.989 -43.961 1.00 0.00 H new ATOM 0 HB2 HIS A 8 28.056 28.491 -43.893 1.00 0.00 H new ATOM 0 HB3 HIS A 8 28.212 28.384 -42.151 1.00 0.00 H new ATOM 0 HD2 HIS A 8 30.655 28.227 -41.328 1.00 0.00 H new ATOM 0 HE1 HIS A 8 32.480 26.472 -44.744 1.00 0.00 H new ATOM 0 HE2 HIS A 8 32.902 27.419 -42.408 1.00 0.00 H new ATOM 117 N HIS A 9 26.795 25.546 -40.961 1.00 0.00 N ATOM 118 CA HIS A 9 26.941 24.749 -39.750 1.00 0.00 C ATOM 119 C HIS A 9 26.826 23.250 -40.033 1.00 0.00 C ATOM 120 O HIS A 9 26.691 22.456 -39.104 1.00 0.00 O ATOM 121 CB HIS A 9 25.904 25.195 -38.716 1.00 0.00 C ATOM 122 CG HIS A 9 25.953 26.674 -38.423 1.00 0.00 C ATOM 123 ND1 HIS A 9 25.543 27.687 -39.297 1.00 0.00 N ATOM 124 CD2 HIS A 9 26.372 27.236 -37.250 1.00 0.00 C ATOM 125 CE1 HIS A 9 25.744 28.835 -38.630 1.00 0.00 C ATOM 126 NE2 HIS A 9 26.238 28.596 -37.401 1.00 0.00 N ATOM 0 H HIS A 9 25.875 25.977 -41.057 1.00 0.00 H new ATOM 0 HA HIS A 9 27.941 24.915 -39.350 1.00 0.00 H new ATOM 0 HB2 HIS A 9 24.908 24.935 -39.075 1.00 0.00 H new ATOM 0 HB3 HIS A 9 26.063 24.643 -37.790 1.00 0.00 H new ATOM 0 HD2 HIS A 9 26.736 26.715 -36.377 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.537 29.818 -39.026 1.00 0.00 H new ATOM 0 HE2 HIS A 9 26.472 29.302 -36.703 1.00 0.00 H new ATOM 134 N HIS A 10 26.875 22.854 -41.309 1.00 0.00 N ATOM 135 CA HIS A 10 26.781 21.461 -41.716 1.00 0.00 C ATOM 136 C HIS A 10 27.995 20.660 -41.235 1.00 0.00 C ATOM 137 O HIS A 10 28.993 21.227 -40.789 1.00 0.00 O ATOM 138 CB HIS A 10 26.661 21.390 -43.242 1.00 0.00 C ATOM 139 CG HIS A 10 27.858 21.952 -43.965 1.00 0.00 C ATOM 140 ND1 HIS A 10 29.126 21.370 -44.004 1.00 0.00 N ATOM 141 CD2 HIS A 10 27.867 23.094 -44.713 1.00 0.00 C ATOM 142 CE1 HIS A 10 29.874 22.187 -44.763 1.00 0.00 C ATOM 143 NE2 HIS A 10 29.145 23.228 -45.200 1.00 0.00 N ATOM 0 H HIS A 10 26.982 23.502 -42.090 1.00 0.00 H new ATOM 0 HA HIS A 10 25.896 21.019 -41.259 1.00 0.00 H new ATOM 0 HB2 HIS A 10 26.521 20.351 -43.540 1.00 0.00 H new ATOM 0 HB3 HIS A 10 25.769 21.934 -43.554 1.00 0.00 H new ATOM 0 HD2 HIS A 10 27.035 23.760 -44.887 1.00 0.00 H new ATOM 0 HE1 HIS A 10 30.918 22.029 -44.991 1.00 0.00 H new ATOM 0 HE2 HIS A 10 29.482 23.987 -45.792 1.00 0.00 H new ATOM 151 N SER A 11 27.901 19.329 -41.335 1.00 0.00 N ATOM 152 CA SER A 11 28.969 18.404 -40.960 1.00 0.00 C ATOM 153 C SER A 11 29.412 18.590 -39.505 1.00 0.00 C ATOM 154 O SER A 11 30.547 18.278 -39.146 1.00 0.00 O ATOM 155 CB SER A 11 30.121 18.516 -41.965 1.00 0.00 C ATOM 156 OG SER A 11 31.089 17.510 -41.749 1.00 0.00 O ATOM 0 H SER A 11 27.066 18.860 -41.685 1.00 0.00 H new ATOM 0 HA SER A 11 28.587 17.384 -41.006 1.00 0.00 H new ATOM 0 HB2 SER A 11 29.731 18.436 -42.980 1.00 0.00 H new ATOM 0 HB3 SER A 11 30.588 19.497 -41.879 1.00 0.00 H new ATOM 0 HG SER A 11 31.310 17.468 -40.795 1.00 0.00 H new ATOM 162 N SER A 12 28.518 19.102 -38.654 1.00 0.00 N ATOM 163 CA SER A 12 28.800 19.321 -37.239 1.00 0.00 C ATOM 164 C SER A 12 28.895 18.001 -36.472 1.00 0.00 C ATOM 165 O SER A 12 29.328 17.993 -35.321 1.00 0.00 O ATOM 166 CB SER A 12 27.688 20.182 -36.641 1.00 0.00 C ATOM 167 OG SER A 12 26.463 19.478 -36.696 1.00 0.00 O ATOM 0 H SER A 12 27.576 19.376 -38.932 1.00 0.00 H new ATOM 0 HA SER A 12 29.763 19.825 -37.153 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.927 20.437 -35.608 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.605 21.120 -37.190 1.00 0.00 H new ATOM 0 HG SER A 12 25.751 20.030 -36.311 1.00 0.00 H new ATOM 173 N GLY A 13 28.497 16.888 -37.095 1.00 0.00 N ATOM 174 CA GLY A 13 28.543 15.576 -36.469 1.00 0.00 C ATOM 175 C GLY A 13 27.428 15.382 -35.442 1.00 0.00 C ATOM 176 O GLY A 13 27.384 14.352 -34.773 1.00 0.00 O ATOM 0 H GLY A 13 28.135 16.878 -38.048 1.00 0.00 H new ATOM 0 HA2 GLY A 13 28.464 14.807 -37.237 1.00 0.00 H new ATOM 0 HA3 GLY A 13 29.509 15.442 -35.982 1.00 0.00 H new ATOM 180 N LEU A 14 26.528 16.364 -35.309 1.00 0.00 N ATOM 181 CA LEU A 14 25.418 16.296 -34.367 1.00 0.00 C ATOM 182 C LEU A 14 24.446 15.183 -34.763 1.00 0.00 C ATOM 183 O LEU A 14 24.208 14.944 -35.947 1.00 0.00 O ATOM 184 CB LEU A 14 24.719 17.658 -34.318 1.00 0.00 C ATOM 185 CG LEU A 14 23.472 17.667 -33.427 1.00 0.00 C ATOM 186 CD1 LEU A 14 23.845 17.442 -31.961 1.00 0.00 C ATOM 187 CD2 LEU A 14 22.781 19.024 -33.556 1.00 0.00 C ATOM 0 H LEU A 14 26.554 17.226 -35.854 1.00 0.00 H new ATOM 0 HA LEU A 14 25.794 16.059 -33.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 25.423 18.407 -33.954 1.00 0.00 H new ATOM 0 HB3 LEU A 14 24.437 17.950 -35.329 1.00 0.00 H new ATOM 0 HG LEU A 14 22.810 16.863 -33.747 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.942 17.453 -31.350 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.343 16.478 -31.856 1.00 0.00 H new ATOM 0 HD13 LEU A 14 24.516 18.235 -31.631 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.892 19.041 -32.926 1.00 0.00 H new ATOM 0 HD22 LEU A 14 23.465 19.812 -33.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.493 19.188 -34.594 1.00 0.00 H new ATOM 199 N VAL A 15 23.881 14.501 -33.759 1.00 0.00 N ATOM 200 CA VAL A 15 22.935 13.414 -33.964 1.00 0.00 C ATOM 201 C VAL A 15 22.051 13.275 -32.718 1.00 0.00 C ATOM 202 O VAL A 15 22.546 13.456 -31.607 1.00 0.00 O ATOM 203 CB VAL A 15 23.710 12.130 -34.294 1.00 0.00 C ATOM 204 CG1 VAL A 15 24.598 11.695 -33.124 1.00 0.00 C ATOM 205 CG2 VAL A 15 22.761 10.985 -34.640 1.00 0.00 C ATOM 0 H VAL A 15 24.074 14.695 -32.776 1.00 0.00 H new ATOM 0 HA VAL A 15 22.275 13.619 -34.807 1.00 0.00 H new ATOM 0 HB VAL A 15 24.337 12.357 -35.156 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.132 10.783 -33.392 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.316 12.484 -32.900 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.978 11.508 -32.247 1.00 0.00 H new ATOM 0 HG21 VAL A 15 23.339 10.090 -34.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.106 10.787 -33.792 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.160 11.260 -35.507 1.00 0.00 H new ATOM 215 N PRO A 16 20.752 12.959 -32.868 1.00 0.00 N ATOM 216 CA PRO A 16 19.819 12.827 -31.752 1.00 0.00 C ATOM 217 C PRO A 16 20.220 11.768 -30.721 1.00 0.00 C ATOM 218 O PRO A 16 19.757 11.816 -29.583 1.00 0.00 O ATOM 219 CB PRO A 16 18.479 12.463 -32.391 1.00 0.00 C ATOM 220 CG PRO A 16 18.590 12.990 -33.815 1.00 0.00 C ATOM 221 CD PRO A 16 20.066 12.759 -34.128 1.00 0.00 C ATOM 0 HA PRO A 16 19.792 13.759 -31.187 1.00 0.00 H new ATOM 0 HB2 PRO A 16 18.310 11.386 -32.377 1.00 0.00 H new ATOM 0 HB3 PRO A 16 17.646 12.923 -31.860 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.938 12.449 -34.502 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.319 14.044 -33.882 1.00 0.00 H new ATOM 0 HD2 PRO A 16 20.235 11.754 -34.514 1.00 0.00 H new ATOM 0 HD3 PRO A 16 20.422 13.456 -34.886 1.00 0.00 H new ATOM 229 N ARG A 17 21.073 10.812 -31.106 1.00 0.00 N ATOM 230 CA ARG A 17 21.525 9.752 -30.212 1.00 0.00 C ATOM 231 C ARG A 17 22.815 9.126 -30.735 1.00 0.00 C ATOM 232 O ARG A 17 23.054 9.116 -31.941 1.00 0.00 O ATOM 233 CB ARG A 17 20.430 8.687 -30.057 1.00 0.00 C ATOM 234 CG ARG A 17 20.249 7.773 -31.273 1.00 0.00 C ATOM 235 CD ARG A 17 19.851 8.532 -32.535 1.00 0.00 C ATOM 236 NE ARG A 17 19.623 7.613 -33.652 1.00 0.00 N ATOM 237 CZ ARG A 17 20.586 7.132 -34.441 1.00 0.00 C ATOM 238 NH1 ARG A 17 21.864 7.456 -34.245 1.00 0.00 N ATOM 239 NH2 ARG A 17 20.273 6.314 -35.442 1.00 0.00 N ATOM 0 H ARG A 17 21.466 10.756 -32.046 1.00 0.00 H new ATOM 0 HA ARG A 17 21.729 10.184 -29.232 1.00 0.00 H new ATOM 0 HB2 ARG A 17 20.662 8.071 -29.188 1.00 0.00 H new ATOM 0 HB3 ARG A 17 19.483 9.186 -29.851 1.00 0.00 H new ATOM 0 HG2 ARG A 17 21.179 7.235 -31.457 1.00 0.00 H new ATOM 0 HG3 ARG A 17 19.487 7.026 -31.049 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.947 9.111 -32.345 1.00 0.00 H new ATOM 0 HD3 ARG A 17 20.635 9.242 -32.798 1.00 0.00 H new ATOM 0 HE ARG A 17 18.664 7.321 -33.840 1.00 0.00 H new ATOM 0 HH11 ARG A 17 22.120 8.082 -33.481 1.00 0.00 H new ATOM 0 HH12 ARG A 17 22.586 7.078 -34.859 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.300 6.056 -35.605 1.00 0.00 H new ATOM 0 HH22 ARG A 17 21.006 5.945 -36.047 1.00 0.00 H new ATOM 253 N GLY A 18 23.637 8.604 -29.824 1.00 0.00 N ATOM 254 CA GLY A 18 24.909 7.980 -30.167 1.00 0.00 C ATOM 255 C GLY A 18 25.288 6.895 -29.159 1.00 0.00 C ATOM 256 O GLY A 18 26.444 6.478 -29.107 1.00 0.00 O ATOM 0 H GLY A 18 23.436 8.604 -28.824 1.00 0.00 H new ATOM 0 HA2 GLY A 18 24.846 7.546 -31.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 25.691 8.738 -30.199 1.00 0.00 H new ATOM 260 N SER A 19 24.318 6.442 -28.358 1.00 0.00 N ATOM 261 CA SER A 19 24.524 5.449 -27.313 1.00 0.00 C ATOM 262 C SER A 19 23.213 4.700 -27.078 1.00 0.00 C ATOM 263 O SER A 19 22.287 4.817 -27.883 1.00 0.00 O ATOM 264 CB SER A 19 25.008 6.170 -26.052 1.00 0.00 C ATOM 265 OG SER A 19 25.394 5.238 -25.063 1.00 0.00 O ATOM 0 H SER A 19 23.353 6.765 -28.424 1.00 0.00 H new ATOM 0 HA SER A 19 25.279 4.717 -27.600 1.00 0.00 H new ATOM 0 HB2 SER A 19 25.850 6.818 -26.297 1.00 0.00 H new ATOM 0 HB3 SER A 19 24.215 6.811 -25.666 1.00 0.00 H new ATOM 0 HG SER A 19 25.702 5.716 -24.265 1.00 0.00 H new ATOM 271 N HIS A 20 23.108 3.928 -25.991 1.00 0.00 N ATOM 272 CA HIS A 20 21.909 3.154 -25.689 1.00 0.00 C ATOM 273 C HIS A 20 20.725 4.056 -25.329 1.00 0.00 C ATOM 274 O HIS A 20 19.622 3.562 -25.091 1.00 0.00 O ATOM 275 CB HIS A 20 22.201 2.175 -24.553 1.00 0.00 C ATOM 276 CG HIS A 20 22.457 2.847 -23.230 1.00 0.00 C ATOM 277 ND1 HIS A 20 23.565 3.638 -22.919 1.00 0.00 N ATOM 278 CD2 HIS A 20 21.652 2.753 -22.130 1.00 0.00 C ATOM 279 CE1 HIS A 20 23.390 4.009 -21.637 1.00 0.00 C ATOM 280 NE2 HIS A 20 22.254 3.492 -21.141 1.00 0.00 N ATOM 0 H HIS A 20 23.852 3.825 -25.301 1.00 0.00 H new ATOM 0 HA HIS A 20 21.631 2.598 -26.584 1.00 0.00 H new ATOM 0 HB2 HIS A 20 21.358 1.492 -24.447 1.00 0.00 H new ATOM 0 HB3 HIS A 20 23.069 1.571 -24.819 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.724 2.205 -22.053 1.00 0.00 H new ATOM 0 HE1 HIS A 20 24.071 4.637 -21.082 1.00 0.00 H new ATOM 0 HE2 HIS A 20 21.900 3.625 -20.194 1.00 0.00 H new ATOM 288 N MET A 21 20.945 5.373 -25.284 1.00 0.00 N ATOM 289 CA MET A 21 19.900 6.359 -25.050 1.00 0.00 C ATOM 290 C MET A 21 18.905 6.368 -26.214 1.00 0.00 C ATOM 291 O MET A 21 19.136 5.739 -27.247 1.00 0.00 O ATOM 292 CB MET A 21 20.540 7.736 -24.877 1.00 0.00 C ATOM 293 CG MET A 21 21.280 8.157 -26.149 1.00 0.00 C ATOM 294 SD MET A 21 21.949 9.841 -26.116 1.00 0.00 S ATOM 295 CE MET A 21 23.164 9.672 -24.782 1.00 0.00 C ATOM 0 H MET A 21 21.870 5.785 -25.412 1.00 0.00 H new ATOM 0 HA MET A 21 19.353 6.101 -24.143 1.00 0.00 H new ATOM 0 HB2 MET A 21 19.772 8.471 -24.638 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.234 7.716 -24.037 1.00 0.00 H new ATOM 0 HG2 MET A 21 22.099 7.459 -26.324 1.00 0.00 H new ATOM 0 HG3 MET A 21 20.599 8.068 -26.995 1.00 0.00 H new ATOM 0 HE1 MET A 21 24.116 10.097 -25.101 1.00 0.00 H new ATOM 0 HE2 MET A 21 22.809 10.200 -23.897 1.00 0.00 H new ATOM 0 HE3 MET A 21 23.299 8.617 -24.545 1.00 0.00 H new ATOM 305 N GLN A 22 17.796 7.094 -26.045 1.00 0.00 N ATOM 306 CA GLN A 22 16.740 7.159 -27.044 1.00 0.00 C ATOM 307 C GLN A 22 16.059 8.529 -27.029 1.00 0.00 C ATOM 308 O GLN A 22 16.028 9.204 -26.001 1.00 0.00 O ATOM 309 CB GLN A 22 15.721 6.035 -26.819 1.00 0.00 C ATOM 310 CG GLN A 22 15.090 6.064 -25.424 1.00 0.00 C ATOM 311 CD GLN A 22 16.011 5.520 -24.336 1.00 0.00 C ATOM 312 OE1 GLN A 22 16.153 6.126 -23.277 1.00 0.00 O ATOM 313 NE2 GLN A 22 16.649 4.379 -24.582 1.00 0.00 N ATOM 0 H GLN A 22 17.611 7.651 -25.211 1.00 0.00 H new ATOM 0 HA GLN A 22 17.188 7.021 -28.028 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.933 6.112 -27.569 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.211 5.073 -26.969 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.814 7.090 -25.178 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.169 5.481 -25.437 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.511 3.899 -25.471 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.277 3.984 -23.881 1.00 0.00 H new ATOM 322 N LYS A 23 15.516 8.931 -28.182 1.00 0.00 N ATOM 323 CA LYS A 23 14.830 10.199 -28.357 1.00 0.00 C ATOM 324 C LYS A 23 13.623 9.975 -29.259 1.00 0.00 C ATOM 325 O LYS A 23 13.708 9.215 -30.222 1.00 0.00 O ATOM 326 CB LYS A 23 15.853 11.200 -28.904 1.00 0.00 C ATOM 327 CG LYS A 23 15.275 12.565 -29.287 1.00 0.00 C ATOM 328 CD LYS A 23 14.749 12.529 -30.721 1.00 0.00 C ATOM 329 CE LYS A 23 14.420 13.937 -31.224 1.00 0.00 C ATOM 330 NZ LYS A 23 13.391 14.591 -30.393 1.00 0.00 N ATOM 0 H LYS A 23 15.546 8.368 -29.032 1.00 0.00 H new ATOM 0 HA LYS A 23 14.440 10.611 -27.426 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.631 11.348 -28.156 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.333 10.765 -29.781 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.470 12.833 -28.603 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.042 13.333 -29.192 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.493 12.071 -31.373 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.857 11.905 -30.769 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.326 14.543 -31.224 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.073 13.882 -32.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.172 15.529 -30.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.529 14.009 -30.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.746 14.697 -29.421 1.00 0.00 H new ATOM 344 N GLU A 24 12.505 10.631 -28.946 1.00 0.00 N ATOM 345 CA GLU A 24 11.258 10.424 -29.669 1.00 0.00 C ATOM 346 C GLU A 24 10.972 11.537 -30.671 1.00 0.00 C ATOM 347 O GLU A 24 11.431 12.668 -30.510 1.00 0.00 O ATOM 348 CB GLU A 24 10.099 10.307 -28.684 1.00 0.00 C ATOM 349 CG GLU A 24 10.246 9.061 -27.812 1.00 0.00 C ATOM 350 CD GLU A 24 9.001 8.810 -26.965 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.943 7.736 -26.323 1.00 0.00 O ATOM 352 OE2 GLU A 24 8.108 9.690 -26.950 1.00 0.00 O ATOM 0 H GLU A 24 12.442 11.314 -28.191 1.00 0.00 H new ATOM 0 HA GLU A 24 11.364 9.498 -30.234 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.062 11.195 -28.053 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.156 10.265 -29.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.435 8.194 -28.446 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.112 9.174 -27.160 1.00 0.00 H new ATOM 359 N GLY A 25 10.204 11.203 -31.707 1.00 0.00 N ATOM 360 CA GLY A 25 9.770 12.152 -32.722 1.00 0.00 C ATOM 361 C GLY A 25 8.539 12.935 -32.265 1.00 0.00 C ATOM 362 O GLY A 25 8.297 13.063 -31.064 1.00 0.00 O ATOM 0 H GLY A 25 9.864 10.254 -31.864 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.581 12.845 -32.945 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.542 11.620 -33.646 1.00 0.00 H new ATOM 366 N PRO A 26 7.752 13.462 -33.215 1.00 0.00 N ATOM 367 CA PRO A 26 6.548 14.225 -32.939 1.00 0.00 C ATOM 368 C PRO A 26 5.446 13.311 -32.411 1.00 0.00 C ATOM 369 O PRO A 26 5.615 12.094 -32.339 1.00 0.00 O ATOM 370 CB PRO A 26 6.163 14.843 -34.282 1.00 0.00 C ATOM 371 CG PRO A 26 6.669 13.813 -35.285 1.00 0.00 C ATOM 372 CD PRO A 26 7.975 13.350 -34.645 1.00 0.00 C ATOM 0 HA PRO A 26 6.701 14.986 -32.174 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.087 14.993 -34.364 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.633 15.816 -34.429 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.965 12.991 -35.413 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.832 14.250 -36.270 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.212 12.325 -34.929 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.813 13.970 -34.964 1.00 0.00 H new ATOM 380 N GLU A 27 4.306 13.895 -32.036 1.00 0.00 N ATOM 381 CA GLU A 27 3.175 13.131 -31.534 1.00 0.00 C ATOM 382 C GLU A 27 2.633 12.190 -32.607 1.00 0.00 C ATOM 383 O GLU A 27 2.547 12.554 -33.780 1.00 0.00 O ATOM 384 CB GLU A 27 2.098 14.099 -31.032 1.00 0.00 C ATOM 385 CG GLU A 27 0.838 13.355 -30.575 1.00 0.00 C ATOM 386 CD GLU A 27 -0.223 14.300 -30.008 1.00 0.00 C ATOM 387 OE1 GLU A 27 -1.320 13.794 -29.681 1.00 0.00 O ATOM 388 OE2 GLU A 27 0.059 15.516 -29.903 1.00 0.00 O ATOM 0 H GLU A 27 4.147 14.902 -32.073 1.00 0.00 H new ATOM 0 HA GLU A 27 3.499 12.506 -30.701 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.494 14.687 -30.204 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.839 14.800 -31.826 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.418 12.805 -31.417 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.108 12.620 -29.817 1.00 0.00 H new ATOM 395 N GLY A 28 2.265 10.970 -32.200 1.00 0.00 N ATOM 396 CA GLY A 28 1.702 9.974 -33.098 1.00 0.00 C ATOM 397 C GLY A 28 2.772 9.219 -33.889 1.00 0.00 C ATOM 398 O GLY A 28 2.438 8.350 -34.694 1.00 0.00 O ATOM 0 H GLY A 28 2.352 10.652 -31.235 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.113 9.262 -32.520 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.019 10.462 -33.793 1.00 0.00 H new ATOM 402 N ALA A 29 4.050 9.547 -33.672 1.00 0.00 N ATOM 403 CA ALA A 29 5.161 8.945 -34.395 1.00 0.00 C ATOM 404 C ALA A 29 5.875 7.855 -33.590 1.00 0.00 C ATOM 405 O ALA A 29 6.980 7.460 -33.952 1.00 0.00 O ATOM 406 CB ALA A 29 6.127 10.045 -34.824 1.00 0.00 C ATOM 0 H ALA A 29 4.338 10.243 -32.984 1.00 0.00 H new ATOM 0 HA ALA A 29 4.761 8.442 -35.276 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.963 9.604 -35.367 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.608 10.753 -35.470 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.501 10.565 -33.942 1.00 0.00 H new ATOM 412 N ASN A 30 5.268 7.365 -32.504 1.00 0.00 N ATOM 413 CA ASN A 30 5.914 6.410 -31.610 1.00 0.00 C ATOM 414 C ASN A 30 5.128 5.104 -31.562 1.00 0.00 C ATOM 415 O ASN A 30 3.899 5.127 -31.516 1.00 0.00 O ATOM 416 CB ASN A 30 6.042 7.043 -30.222 1.00 0.00 C ATOM 417 CG ASN A 30 6.760 8.383 -30.293 1.00 0.00 C ATOM 418 OD1 ASN A 30 7.874 8.467 -30.799 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.128 9.437 -29.793 1.00 0.00 N ATOM 0 H ASN A 30 4.321 7.620 -32.225 1.00 0.00 H new ATOM 0 HA ASN A 30 6.910 6.169 -31.981 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.051 7.181 -29.789 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.588 6.370 -29.561 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.568 10.357 -29.822 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.202 9.328 -29.380 1.00 0.00 H new ATOM 426 N LEU A 31 5.832 3.968 -31.571 1.00 0.00 N ATOM 427 CA LEU A 31 5.204 2.657 -31.671 1.00 0.00 C ATOM 428 C LEU A 31 5.604 1.712 -30.547 1.00 0.00 C ATOM 429 O LEU A 31 6.655 1.856 -29.925 1.00 0.00 O ATOM 430 CB LEU A 31 5.571 1.986 -32.997 1.00 0.00 C ATOM 431 CG LEU A 31 5.191 2.785 -34.242 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.489 1.923 -35.463 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.703 3.121 -34.255 1.00 0.00 C ATOM 0 H LEU A 31 6.850 3.936 -31.509 1.00 0.00 H new ATOM 0 HA LEU A 31 4.132 2.840 -31.603 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.646 1.805 -33.012 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.083 1.012 -33.043 1.00 0.00 H new ATOM 0 HG LEU A 31 5.760 3.715 -34.248 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.226 2.471 -36.368 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.550 1.676 -35.484 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.904 1.005 -35.412 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.466 3.690 -35.154 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.122 2.199 -34.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.456 3.715 -33.375 1.00 0.00 H new ATOM 445 N PHE A 32 4.729 0.733 -30.321 1.00 0.00 N ATOM 446 CA PHE A 32 4.928 -0.394 -29.434 1.00 0.00 C ATOM 447 C PHE A 32 4.922 -1.738 -30.140 1.00 0.00 C ATOM 448 O PHE A 32 4.137 -1.934 -31.062 1.00 0.00 O ATOM 449 CB PHE A 32 3.973 -0.359 -28.242 1.00 0.00 C ATOM 450 CG PHE A 32 4.435 0.520 -27.111 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.855 -0.072 -25.914 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.443 1.913 -27.252 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.286 0.730 -24.852 1.00 0.00 C ATOM 454 CE2 PHE A 32 4.891 2.713 -26.191 1.00 0.00 C ATOM 455 CZ PHE A 32 5.308 2.124 -24.990 1.00 0.00 C ATOM 0 H PHE A 32 3.818 0.711 -30.779 1.00 0.00 H new ATOM 0 HA PHE A 32 5.939 -0.283 -29.042 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.997 -0.013 -28.582 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.838 -1.374 -27.868 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.846 -1.147 -25.811 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.106 2.368 -28.172 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.602 0.274 -23.925 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.915 3.787 -26.300 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.646 2.743 -24.172 1.00 0.00 H new ATOM 465 N ILE A 33 5.791 -2.657 -29.715 1.00 0.00 N ATOM 466 CA ILE A 33 5.921 -3.961 -30.339 1.00 0.00 C ATOM 467 C ILE A 33 5.973 -5.011 -29.237 1.00 0.00 C ATOM 468 O ILE A 33 6.597 -4.783 -28.206 1.00 0.00 O ATOM 469 CB ILE A 33 7.177 -4.004 -31.222 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.246 -2.849 -32.230 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.209 -5.323 -31.994 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.924 -1.605 -31.653 1.00 0.00 C ATOM 0 H ILE A 33 6.422 -2.511 -28.927 1.00 0.00 H new ATOM 0 HA ILE A 33 5.068 -4.164 -30.986 1.00 0.00 H new ATOM 0 HB ILE A 33 8.033 -3.910 -30.554 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.790 -3.177 -33.116 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.237 -2.592 -32.552 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.100 -5.356 -32.622 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.230 -6.156 -31.291 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.321 -5.399 -32.621 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.946 -0.819 -32.408 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.367 -1.257 -30.783 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.943 -1.851 -31.356 1.00 0.00 H new ATOM 484 N TYR A 34 5.324 -6.158 -29.447 1.00 0.00 N ATOM 485 CA TYR A 34 5.266 -7.201 -28.430 1.00 0.00 C ATOM 486 C TYR A 34 5.295 -8.557 -29.131 1.00 0.00 C ATOM 487 O TYR A 34 5.296 -8.646 -30.357 1.00 0.00 O ATOM 488 CB TYR A 34 3.944 -7.080 -27.671 1.00 0.00 C ATOM 489 CG TYR A 34 3.524 -5.677 -27.282 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.674 -4.940 -28.116 1.00 0.00 C ATOM 491 CD2 TYR A 34 3.975 -5.119 -26.082 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.225 -3.671 -27.725 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.536 -3.848 -25.684 1.00 0.00 C ATOM 494 CZ TYR A 34 2.639 -3.127 -26.496 1.00 0.00 C ATOM 495 OH TYR A 34 2.168 -1.910 -26.101 1.00 0.00 O ATOM 0 H TYR A 34 4.833 -6.385 -30.312 1.00 0.00 H new ATOM 0 HA TYR A 34 6.106 -7.103 -27.742 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.155 -7.517 -28.284 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.013 -7.681 -26.764 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.363 -5.351 -29.065 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.664 -5.669 -25.459 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.561 -3.111 -28.367 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.886 -3.422 -24.755 1.00 0.00 H new ATOM 0 HH TYR A 34 2.921 -1.305 -25.939 1.00 0.00 H new ATOM 505 N HIS A 35 5.320 -9.619 -28.316 1.00 0.00 N ATOM 506 CA HIS A 35 5.375 -11.017 -28.733 1.00 0.00 C ATOM 507 C HIS A 35 6.668 -11.369 -29.479 1.00 0.00 C ATOM 508 O HIS A 35 6.729 -12.400 -30.153 1.00 0.00 O ATOM 509 CB HIS A 35 4.124 -11.411 -29.532 1.00 0.00 C ATOM 510 CG HIS A 35 2.801 -11.061 -28.896 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.566 -11.226 -29.490 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.592 -10.536 -27.651 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.624 -10.823 -28.619 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.227 -10.396 -27.495 1.00 0.00 N ATOM 0 H HIS A 35 5.301 -9.517 -27.301 1.00 0.00 H new ATOM 0 HA HIS A 35 5.387 -11.614 -27.821 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.174 -10.931 -30.509 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.150 -12.487 -29.704 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.397 -11.591 -30.428 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.351 -10.279 -26.927 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.442 -10.839 -28.793 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.756 -10.031 -26.667 1.00 0.00 H new ATOM 523 N LEU A 36 7.694 -10.526 -29.366 1.00 0.00 N ATOM 524 CA LEU A 36 8.979 -10.770 -30.007 1.00 0.00 C ATOM 525 C LEU A 36 9.668 -11.968 -29.358 1.00 0.00 C ATOM 526 O LEU A 36 9.590 -12.128 -28.142 1.00 0.00 O ATOM 527 CB LEU A 36 9.870 -9.532 -29.863 1.00 0.00 C ATOM 528 CG LEU A 36 9.279 -8.297 -30.545 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.094 -7.067 -30.157 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.323 -8.447 -32.064 1.00 0.00 C ATOM 0 H LEU A 36 7.655 -9.659 -28.829 1.00 0.00 H new ATOM 0 HA LEU A 36 8.813 -10.980 -31.064 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.022 -9.320 -28.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.850 -9.743 -30.290 1.00 0.00 H new ATOM 0 HG LEU A 36 8.243 -8.189 -30.224 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.675 -6.185 -30.642 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.062 -6.936 -29.075 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.128 -7.200 -30.476 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.898 -7.558 -32.530 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.357 -8.567 -32.388 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.746 -9.323 -32.360 1.00 0.00 H new ATOM 542 N PRO A 37 10.346 -12.819 -30.142 1.00 0.00 N ATOM 543 CA PRO A 37 11.136 -13.917 -29.618 1.00 0.00 C ATOM 544 C PRO A 37 12.406 -13.368 -28.968 1.00 0.00 C ATOM 545 O PRO A 37 12.789 -12.222 -29.205 1.00 0.00 O ATOM 546 CB PRO A 37 11.434 -14.800 -30.827 1.00 0.00 C ATOM 547 CG PRO A 37 11.477 -13.795 -31.975 1.00 0.00 C ATOM 548 CD PRO A 37 10.408 -12.773 -31.589 1.00 0.00 C ATOM 0 HA PRO A 37 10.624 -14.489 -28.844 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.380 -15.330 -30.718 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.661 -15.554 -30.978 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.460 -13.333 -32.068 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.255 -14.268 -32.932 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.671 -11.775 -31.941 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.445 -13.024 -32.033 1.00 0.00 H new ATOM 556 N GLN A 38 13.066 -14.181 -28.143 1.00 0.00 N ATOM 557 CA GLN A 38 14.232 -13.741 -27.387 1.00 0.00 C ATOM 558 C GLN A 38 15.469 -13.535 -28.264 1.00 0.00 C ATOM 559 O GLN A 38 16.485 -13.030 -27.784 1.00 0.00 O ATOM 560 CB GLN A 38 14.529 -14.734 -26.263 1.00 0.00 C ATOM 561 CG GLN A 38 13.441 -14.676 -25.190 1.00 0.00 C ATOM 562 CD GLN A 38 13.818 -15.494 -23.959 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.610 -16.432 -24.040 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.253 -15.145 -22.807 1.00 0.00 N ATOM 0 H GLN A 38 12.808 -15.155 -27.983 1.00 0.00 H new ATOM 0 HA GLN A 38 13.990 -12.767 -26.962 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.592 -15.743 -26.670 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.498 -14.508 -25.818 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.271 -13.639 -24.900 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.503 -15.049 -25.602 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.600 -14.362 -22.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.472 -15.661 -21.955 1.00 0.00 H new ATOM 573 N GLU A 39 15.402 -13.916 -29.542 1.00 0.00 N ATOM 574 CA GLU A 39 16.507 -13.701 -30.466 1.00 0.00 C ATOM 575 C GLU A 39 16.545 -12.250 -30.953 1.00 0.00 C ATOM 576 O GLU A 39 17.520 -11.841 -31.586 1.00 0.00 O ATOM 577 CB GLU A 39 16.406 -14.690 -31.634 1.00 0.00 C ATOM 578 CG GLU A 39 15.079 -14.550 -32.382 1.00 0.00 C ATOM 579 CD GLU A 39 14.944 -15.581 -33.503 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.924 -16.322 -33.748 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.851 -15.620 -34.110 1.00 0.00 O ATOM 0 H GLU A 39 14.591 -14.375 -29.956 1.00 0.00 H new ATOM 0 HA GLU A 39 17.446 -13.883 -29.943 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.232 -14.523 -32.325 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.506 -15.708 -31.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.253 -14.666 -31.680 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.003 -13.547 -32.801 1.00 0.00 H new ATOM 588 N PHE A 40 15.498 -11.464 -30.672 1.00 0.00 N ATOM 589 CA PHE A 40 15.482 -10.036 -30.961 1.00 0.00 C ATOM 590 C PHE A 40 16.354 -9.180 -30.048 1.00 0.00 C ATOM 591 O PHE A 40 16.687 -9.588 -28.937 1.00 0.00 O ATOM 592 CB PHE A 40 14.065 -9.472 -31.116 1.00 0.00 C ATOM 593 CG PHE A 40 13.423 -9.695 -32.472 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.382 -10.979 -33.036 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.860 -8.615 -33.166 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.778 -11.181 -34.285 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.244 -8.817 -34.412 1.00 0.00 C ATOM 598 CZ PHE A 40 12.206 -10.102 -34.972 1.00 0.00 C ATOM 0 H PHE A 40 14.641 -11.806 -30.238 1.00 0.00 H new ATOM 0 HA PHE A 40 15.961 -9.964 -31.937 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.428 -9.920 -30.353 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.095 -8.401 -30.918 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.817 -11.814 -32.507 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.900 -7.623 -32.741 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.754 -12.170 -34.718 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.801 -7.984 -34.938 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.736 -10.260 -35.932 1.00 0.00 H new ATOM 608 N GLY A 41 16.717 -7.989 -30.526 1.00 0.00 N ATOM 609 CA GLY A 41 17.504 -7.038 -29.768 1.00 0.00 C ATOM 610 C GLY A 41 17.290 -5.634 -30.322 1.00 0.00 C ATOM 611 O GLY A 41 16.611 -5.463 -31.331 1.00 0.00 O ATOM 0 H GLY A 41 16.467 -7.662 -31.459 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.218 -7.072 -28.717 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.560 -7.302 -29.820 1.00 0.00 H new ATOM 615 N ASP A 42 17.865 -4.626 -29.667 1.00 0.00 N ATOM 616 CA ASP A 42 17.681 -3.240 -30.062 1.00 0.00 C ATOM 617 C ASP A 42 18.081 -2.943 -31.502 1.00 0.00 C ATOM 618 O ASP A 42 17.419 -2.174 -32.194 1.00 0.00 O ATOM 619 CB ASP A 42 18.382 -2.293 -29.082 1.00 0.00 C ATOM 620 CG ASP A 42 19.807 -2.704 -28.704 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.367 -3.616 -29.353 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.333 -2.087 -27.753 1.00 0.00 O ATOM 0 H ASP A 42 18.467 -4.751 -28.853 1.00 0.00 H new ATOM 0 HA ASP A 42 16.607 -3.061 -30.019 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.410 -1.295 -29.520 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.785 -2.226 -28.173 1.00 0.00 H new ATOM 627 N GLN A 43 19.174 -3.559 -31.955 1.00 0.00 N ATOM 628 CA GLN A 43 19.649 -3.416 -33.322 1.00 0.00 C ATOM 629 C GLN A 43 18.795 -4.227 -34.292 1.00 0.00 C ATOM 630 O GLN A 43 18.601 -3.827 -35.439 1.00 0.00 O ATOM 631 CB GLN A 43 21.106 -3.887 -33.376 1.00 0.00 C ATOM 632 CG GLN A 43 21.706 -3.764 -34.779 1.00 0.00 C ATOM 633 CD GLN A 43 21.783 -2.319 -35.263 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.708 -1.376 -34.479 1.00 0.00 O ATOM 635 NE2 GLN A 43 21.931 -2.135 -36.570 1.00 0.00 N ATOM 0 H GLN A 43 19.752 -4.171 -31.379 1.00 0.00 H new ATOM 0 HA GLN A 43 19.577 -2.371 -33.622 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.701 -3.300 -32.676 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.162 -4.925 -33.049 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.706 -4.197 -34.781 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.106 -4.345 -35.479 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.990 -2.939 -37.195 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.986 -1.190 -36.949 1.00 0.00 H new ATOM 644 N ASP A 44 18.284 -5.371 -33.838 1.00 0.00 N ATOM 645 CA ASP A 44 17.461 -6.224 -34.683 1.00 0.00 C ATOM 646 C ASP A 44 16.071 -5.670 -34.980 1.00 0.00 C ATOM 647 O ASP A 44 15.574 -5.809 -36.096 1.00 0.00 O ATOM 648 CB ASP A 44 17.405 -7.651 -34.135 1.00 0.00 C ATOM 649 CG ASP A 44 18.714 -8.417 -34.329 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.669 -7.837 -34.896 1.00 0.00 O ATOM 651 OD2 ASP A 44 18.743 -9.593 -33.904 1.00 0.00 O ATOM 0 H ASP A 44 18.427 -5.725 -32.892 1.00 0.00 H new ATOM 0 HA ASP A 44 17.959 -6.245 -35.652 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.164 -7.617 -33.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.597 -8.192 -34.628 1.00 0.00 H new ATOM 656 N ILE A 45 15.432 -5.037 -33.988 1.00 0.00 N ATOM 657 CA ILE A 45 14.141 -4.401 -34.199 1.00 0.00 C ATOM 658 C ILE A 45 14.350 -3.081 -34.942 1.00 0.00 C ATOM 659 O ILE A 45 13.442 -2.600 -35.618 1.00 0.00 O ATOM 660 CB ILE A 45 13.439 -4.197 -32.846 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.977 -3.791 -33.077 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.148 -3.133 -32.007 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.199 -3.740 -31.761 1.00 0.00 C ATOM 0 H ILE A 45 15.793 -4.956 -33.037 1.00 0.00 H new ATOM 0 HA ILE A 45 13.498 -5.034 -34.810 1.00 0.00 H new ATOM 0 HB ILE A 45 13.476 -5.139 -32.298 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.941 -2.815 -33.561 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.503 -4.501 -33.755 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.627 -3.012 -31.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.176 -3.442 -31.821 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.146 -2.185 -32.545 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.167 -3.449 -31.959 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.215 -4.723 -31.290 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.659 -3.011 -31.094 1.00 0.00 H new ATOM 675 N LEU A 46 15.544 -2.490 -34.827 1.00 0.00 N ATOM 676 CA LEU A 46 15.883 -1.274 -35.547 1.00 0.00 C ATOM 677 C LEU A 46 15.895 -1.560 -37.044 1.00 0.00 C ATOM 678 O LEU A 46 15.222 -0.869 -37.807 1.00 0.00 O ATOM 679 CB LEU A 46 17.236 -0.758 -35.026 1.00 0.00 C ATOM 680 CG LEU A 46 17.833 0.470 -35.729 1.00 0.00 C ATOM 681 CD1 LEU A 46 18.486 0.102 -37.055 1.00 0.00 C ATOM 682 CD2 LEU A 46 16.797 1.576 -35.922 1.00 0.00 C ATOM 0 H LEU A 46 16.294 -2.845 -34.234 1.00 0.00 H new ATOM 0 HA LEU A 46 15.142 -0.493 -35.379 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.123 -0.521 -33.968 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.958 -1.572 -35.095 1.00 0.00 H new ATOM 0 HG LEU A 46 18.611 0.857 -35.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.896 0.999 -37.520 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.288 -0.614 -36.879 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.742 -0.342 -37.716 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.261 2.426 -36.423 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.974 1.201 -36.531 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.416 1.891 -34.951 1.00 0.00 H new ATOM 694 N GLN A 47 16.652 -2.572 -37.474 1.00 0.00 N ATOM 695 CA GLN A 47 16.756 -2.886 -38.892 1.00 0.00 C ATOM 696 C GLN A 47 15.450 -3.458 -39.439 1.00 0.00 C ATOM 697 O GLN A 47 15.199 -3.377 -40.641 1.00 0.00 O ATOM 698 CB GLN A 47 17.908 -3.865 -39.127 1.00 0.00 C ATOM 699 CG GLN A 47 19.246 -3.223 -38.751 1.00 0.00 C ATOM 700 CD GLN A 47 20.431 -4.040 -39.247 1.00 0.00 C ATOM 701 OE1 GLN A 47 21.386 -4.272 -38.506 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.386 -4.483 -40.500 1.00 0.00 N ATOM 0 H GLN A 47 17.196 -3.181 -36.863 1.00 0.00 H new ATOM 0 HA GLN A 47 16.958 -1.959 -39.428 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.752 -4.767 -38.535 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.926 -4.169 -40.173 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.297 -2.219 -39.172 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.306 -3.118 -37.668 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.579 -4.272 -41.087 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.159 -5.034 -40.874 1.00 0.00 H new ATOM 711 N MET A 48 14.614 -4.033 -38.569 1.00 0.00 N ATOM 712 CA MET A 48 13.311 -4.542 -38.967 1.00 0.00 C ATOM 713 C MET A 48 12.356 -3.386 -39.272 1.00 0.00 C ATOM 714 O MET A 48 11.440 -3.543 -40.080 1.00 0.00 O ATOM 715 CB MET A 48 12.760 -5.422 -37.841 1.00 0.00 C ATOM 716 CG MET A 48 11.356 -5.947 -38.144 1.00 0.00 C ATOM 717 SD MET A 48 11.253 -7.115 -39.524 1.00 0.00 S ATOM 718 CE MET A 48 12.030 -8.564 -38.765 1.00 0.00 C ATOM 0 H MET A 48 14.825 -4.155 -37.579 1.00 0.00 H new ATOM 0 HA MET A 48 13.410 -5.137 -39.875 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.433 -6.264 -37.680 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.738 -4.849 -36.914 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.965 -6.431 -37.249 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.706 -5.098 -38.357 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.892 -9.431 -39.411 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.095 -8.377 -38.631 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.571 -8.757 -37.796 1.00 0.00 H new ATOM 728 N PHE A 49 12.570 -2.229 -38.633 1.00 0.00 N ATOM 729 CA PHE A 49 11.712 -1.065 -38.794 1.00 0.00 C ATOM 730 C PHE A 49 12.207 0.071 -39.693 1.00 0.00 C ATOM 731 O PHE A 49 11.447 0.984 -40.010 1.00 0.00 O ATOM 732 CB PHE A 49 11.153 -0.595 -37.450 1.00 0.00 C ATOM 733 CG PHE A 49 10.020 -1.440 -36.903 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.734 -0.895 -36.791 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.248 -2.766 -36.504 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.674 -1.671 -36.295 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.193 -3.540 -36.002 1.00 0.00 C ATOM 738 CZ PHE A 49 7.903 -2.996 -35.898 1.00 0.00 C ATOM 0 H PHE A 49 13.347 -2.081 -37.989 1.00 0.00 H new ATOM 0 HA PHE A 49 10.887 -1.441 -39.400 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.963 -0.581 -36.720 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.803 0.432 -37.557 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.557 0.128 -37.088 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.238 -3.191 -36.584 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.683 -1.248 -36.219 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.373 -4.559 -35.694 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.091 -3.595 -35.514 1.00 0.00 H new ATOM 748 N MET A 50 13.479 0.032 -40.117 1.00 0.00 N ATOM 749 CA MET A 50 14.026 1.068 -40.988 1.00 0.00 C ATOM 750 C MET A 50 13.414 1.139 -42.393 1.00 0.00 C ATOM 751 O MET A 50 13.345 2.240 -42.935 1.00 0.00 O ATOM 752 CB MET A 50 15.546 0.936 -41.101 1.00 0.00 C ATOM 753 CG MET A 50 16.240 1.537 -39.881 1.00 0.00 C ATOM 754 SD MET A 50 17.988 1.929 -40.141 1.00 0.00 S ATOM 755 CE MET A 50 18.620 0.282 -40.536 1.00 0.00 C ATOM 0 H MET A 50 14.140 -0.704 -39.869 1.00 0.00 H new ATOM 0 HA MET A 50 13.752 2.002 -40.498 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.817 -0.115 -41.197 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.892 1.438 -42.005 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.715 2.446 -39.589 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.156 0.839 -39.048 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.328 -0.030 -39.768 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.792 -0.426 -40.575 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.121 0.307 -41.503 1.00 0.00 H new ATOM 765 N PRO A 51 12.968 0.039 -43.026 1.00 0.00 N ATOM 766 CA PRO A 51 12.409 0.122 -44.369 1.00 0.00 C ATOM 767 C PRO A 51 11.027 0.777 -44.372 1.00 0.00 C ATOM 768 O PRO A 51 10.484 1.058 -45.439 1.00 0.00 O ATOM 769 CB PRO A 51 12.351 -1.324 -44.870 1.00 0.00 C ATOM 770 CG PRO A 51 12.143 -2.119 -43.587 1.00 0.00 C ATOM 771 CD PRO A 51 12.960 -1.341 -42.562 1.00 0.00 C ATOM 0 HA PRO A 51 13.020 0.749 -45.018 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.534 -1.475 -45.576 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.270 -1.612 -45.380 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.090 -2.168 -43.310 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.495 -3.146 -43.687 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.517 -1.417 -41.569 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.974 -1.735 -42.489 1.00 0.00 H new ATOM 779 N PHE A 52 10.452 1.023 -43.190 1.00 0.00 N ATOM 780 CA PHE A 52 9.144 1.650 -43.068 1.00 0.00 C ATOM 781 C PHE A 52 9.261 3.175 -43.004 1.00 0.00 C ATOM 782 O PHE A 52 8.261 3.873 -43.163 1.00 0.00 O ATOM 783 CB PHE A 52 8.473 1.107 -41.809 1.00 0.00 C ATOM 784 CG PHE A 52 8.345 -0.400 -41.790 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.964 -1.096 -42.945 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.615 -1.104 -40.610 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.883 -2.493 -42.924 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.530 -2.502 -40.586 1.00 0.00 C ATOM 789 CZ PHE A 52 8.165 -3.199 -41.747 1.00 0.00 C ATOM 0 H PHE A 52 10.885 0.791 -42.296 1.00 0.00 H new ATOM 0 HA PHE A 52 8.543 1.415 -43.946 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.045 1.425 -40.937 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.481 1.548 -41.718 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.733 -0.555 -43.851 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.890 -0.567 -39.714 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.602 -3.029 -43.819 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.745 -3.042 -39.676 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.101 -4.277 -41.734 1.00 0.00 H new ATOM 799 N GLY A 53 10.468 3.697 -42.774 1.00 0.00 N ATOM 800 CA GLY A 53 10.710 5.131 -42.707 1.00 0.00 C ATOM 801 C GLY A 53 11.907 5.461 -41.828 1.00 0.00 C ATOM 802 O GLY A 53 12.631 4.566 -41.394 1.00 0.00 O ATOM 0 H GLY A 53 11.304 3.131 -42.629 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.879 5.519 -43.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.824 5.631 -42.317 1.00 0.00 H new ATOM 806 N ASN A 54 12.124 6.751 -41.558 1.00 0.00 N ATOM 807 CA ASN A 54 13.267 7.190 -40.777 1.00 0.00 C ATOM 808 C ASN A 54 13.021 6.945 -39.292 1.00 0.00 C ATOM 809 O ASN A 54 12.287 7.692 -38.643 1.00 0.00 O ATOM 810 CB ASN A 54 13.526 8.673 -41.044 1.00 0.00 C ATOM 811 CG ASN A 54 14.770 9.140 -40.305 1.00 0.00 C ATOM 812 OD1 ASN A 54 14.587 9.760 -39.147 1.00 0.00 O flip ATOM 813 ND2 ASN A 54 15.887 8.944 -40.777 1.00 0.00 N flip ATOM 0 H ASN A 54 11.516 7.507 -41.873 1.00 0.00 H new ATOM 0 HA ASN A 54 14.146 6.618 -41.072 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.648 8.840 -42.114 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.665 9.261 -40.726 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.986 8.463 -41.671 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.716 9.262 -40.275 1.00 0.00 H new ATOM 820 N VAL A 55 13.644 5.893 -38.760 1.00 0.00 N ATOM 821 CA VAL A 55 13.570 5.555 -37.349 1.00 0.00 C ATOM 822 C VAL A 55 14.569 6.412 -36.575 1.00 0.00 C ATOM 823 O VAL A 55 15.759 6.405 -36.889 1.00 0.00 O ATOM 824 CB VAL A 55 13.878 4.063 -37.180 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.913 3.663 -35.706 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.822 3.216 -37.890 1.00 0.00 C ATOM 0 H VAL A 55 14.217 5.250 -39.306 1.00 0.00 H new ATOM 0 HA VAL A 55 12.572 5.753 -36.959 1.00 0.00 H new ATOM 0 HB VAL A 55 14.859 3.885 -37.620 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.134 2.599 -35.623 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.685 4.235 -35.192 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.945 3.869 -35.250 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.056 2.159 -37.760 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.841 3.426 -37.464 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.816 3.458 -38.953 1.00 0.00 H new ATOM 836 N ILE A 56 14.097 7.148 -35.568 1.00 0.00 N ATOM 837 CA ILE A 56 14.973 7.969 -34.739 1.00 0.00 C ATOM 838 C ILE A 56 15.655 7.102 -33.688 1.00 0.00 C ATOM 839 O ILE A 56 16.824 7.317 -33.367 1.00 0.00 O ATOM 840 CB ILE A 56 14.164 9.086 -34.065 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.649 10.055 -35.136 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.036 9.825 -33.044 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.849 11.208 -34.528 1.00 0.00 C ATOM 0 H ILE A 56 13.111 7.191 -35.308 1.00 0.00 H new ATOM 0 HA ILE A 56 15.737 8.423 -35.369 1.00 0.00 H new ATOM 0 HB ILE A 56 13.314 8.654 -33.538 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.493 10.456 -35.698 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.023 9.513 -35.844 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.453 10.615 -32.572 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.380 9.124 -32.284 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.897 10.262 -33.550 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.504 11.870 -35.322 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.990 10.810 -33.988 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.483 11.767 -33.840 1.00 0.00 H new ATOM 855 N SER A 57 14.926 6.121 -33.150 1.00 0.00 N ATOM 856 CA SER A 57 15.441 5.245 -32.111 1.00 0.00 C ATOM 857 C SER A 57 14.646 3.945 -32.067 1.00 0.00 C ATOM 858 O SER A 57 13.499 3.892 -32.513 1.00 0.00 O ATOM 859 CB SER A 57 15.362 5.951 -30.757 1.00 0.00 C ATOM 860 OG SER A 57 15.935 5.138 -29.756 1.00 0.00 O ATOM 0 H SER A 57 13.965 5.917 -33.426 1.00 0.00 H new ATOM 0 HA SER A 57 16.481 5.008 -32.335 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.884 6.906 -30.805 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.323 6.168 -30.510 1.00 0.00 H new ATOM 0 HG SER A 57 15.225 4.680 -29.260 1.00 0.00 H new ATOM 866 N ALA A 58 15.264 2.896 -31.528 1.00 0.00 N ATOM 867 CA ALA A 58 14.655 1.591 -31.400 1.00 0.00 C ATOM 868 C ALA A 58 15.314 0.845 -30.237 1.00 0.00 C ATOM 869 O ALA A 58 16.507 1.020 -29.980 1.00 0.00 O ATOM 870 CB ALA A 58 14.826 0.841 -32.716 1.00 0.00 C ATOM 0 H ALA A 58 16.216 2.938 -31.165 1.00 0.00 H new ATOM 0 HA ALA A 58 13.589 1.676 -31.188 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.371 -0.146 -32.634 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.342 1.398 -33.518 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.888 0.734 -32.938 1.00 0.00 H new ATOM 876 N LYS A 59 14.540 0.015 -29.538 1.00 0.00 N ATOM 877 CA LYS A 59 14.988 -0.636 -28.317 1.00 0.00 C ATOM 878 C LYS A 59 14.156 -1.878 -28.019 1.00 0.00 C ATOM 879 O LYS A 59 12.955 -1.898 -28.269 1.00 0.00 O ATOM 880 CB LYS A 59 14.915 0.413 -27.199 1.00 0.00 C ATOM 881 CG LYS A 59 14.954 -0.112 -25.759 1.00 0.00 C ATOM 882 CD LYS A 59 13.574 -0.590 -25.289 1.00 0.00 C ATOM 883 CE LYS A 59 13.472 -0.509 -23.767 1.00 0.00 C ATOM 884 NZ LYS A 59 13.467 0.892 -23.307 1.00 0.00 N ATOM 0 H LYS A 59 13.585 -0.222 -29.806 1.00 0.00 H new ATOM 0 HA LYS A 59 16.013 -0.995 -28.413 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.744 1.108 -27.330 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.996 0.985 -27.328 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.666 -0.935 -25.691 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.312 0.675 -25.095 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.796 0.022 -25.745 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.406 -1.616 -25.617 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.562 -1.007 -23.434 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.310 -1.040 -23.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.306 1.067 -22.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.483 1.528 -24.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.608 1.071 -22.748 1.00 0.00 H new ATOM 898 N VAL A 60 14.802 -2.915 -27.478 1.00 0.00 N ATOM 899 CA VAL A 60 14.112 -4.105 -26.996 1.00 0.00 C ATOM 900 C VAL A 60 14.305 -4.160 -25.484 1.00 0.00 C ATOM 901 O VAL A 60 15.389 -3.867 -24.979 1.00 0.00 O ATOM 902 CB VAL A 60 14.675 -5.357 -27.678 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.191 -6.637 -26.993 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.216 -5.391 -29.133 1.00 0.00 C ATOM 0 H VAL A 60 15.815 -2.949 -27.364 1.00 0.00 H new ATOM 0 HA VAL A 60 13.049 -4.065 -27.233 1.00 0.00 H new ATOM 0 HB VAL A 60 15.762 -5.311 -27.611 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.610 -7.504 -27.504 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.515 -6.637 -25.952 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.103 -6.683 -27.035 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.615 -6.281 -29.620 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.127 -5.415 -29.170 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.577 -4.502 -29.649 1.00 0.00 H new ATOM 914 N PHE A 61 13.249 -4.537 -24.762 1.00 0.00 N ATOM 915 CA PHE A 61 13.269 -4.584 -23.309 1.00 0.00 C ATOM 916 C PHE A 61 14.027 -5.766 -22.702 1.00 0.00 C ATOM 917 O PHE A 61 14.033 -6.852 -23.279 1.00 0.00 O ATOM 918 CB PHE A 61 11.855 -4.459 -22.745 1.00 0.00 C ATOM 919 CG PHE A 61 11.251 -3.078 -22.845 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.195 -2.246 -21.720 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.730 -2.631 -24.067 1.00 0.00 C ATOM 922 CE1 PHE A 61 10.601 -0.982 -21.817 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.144 -1.362 -24.167 1.00 0.00 C ATOM 924 CZ PHE A 61 10.077 -0.534 -23.039 1.00 0.00 C ATOM 0 H PHE A 61 12.358 -4.817 -25.173 1.00 0.00 H new ATOM 0 HA PHE A 61 13.854 -3.717 -23.002 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.207 -5.162 -23.269 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.870 -4.759 -21.697 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.609 -2.579 -20.780 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.781 -3.269 -24.937 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.546 -0.347 -20.945 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.745 -1.023 -25.112 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.624 0.444 -23.110 1.00 0.00 H new ATOM 934 N ILE A 62 14.661 -5.557 -21.543 1.00 0.00 N ATOM 935 CA ILE A 62 15.445 -6.585 -20.862 1.00 0.00 C ATOM 936 C ILE A 62 15.082 -6.633 -19.380 1.00 0.00 C ATOM 937 O ILE A 62 14.820 -5.597 -18.772 1.00 0.00 O ATOM 938 CB ILE A 62 16.949 -6.305 -21.032 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.384 -6.170 -22.500 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.747 -7.401 -20.330 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.278 -7.478 -23.285 1.00 0.00 C ATOM 0 H ILE A 62 14.643 -4.664 -21.051 1.00 0.00 H new ATOM 0 HA ILE A 62 15.215 -7.552 -21.309 1.00 0.00 H new ATOM 0 HB ILE A 62 17.153 -5.337 -20.573 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.769 -5.412 -22.986 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.414 -5.816 -22.535 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.813 -7.207 -20.448 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.495 -7.412 -19.270 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.503 -8.368 -20.771 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.600 -7.312 -24.313 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.914 -8.233 -22.822 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.244 -7.823 -23.280 1.00 0.00 H new ATOM 953 N ASP A 63 15.067 -7.834 -18.795 1.00 0.00 N ATOM 954 CA ASP A 63 14.815 -8.020 -17.371 1.00 0.00 C ATOM 955 C ASP A 63 16.154 -7.984 -16.632 1.00 0.00 C ATOM 956 O ASP A 63 17.098 -8.658 -17.038 1.00 0.00 O ATOM 957 CB ASP A 63 14.134 -9.376 -17.170 1.00 0.00 C ATOM 958 CG ASP A 63 13.670 -9.599 -15.732 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.038 -10.648 -15.492 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.953 -8.723 -14.884 1.00 0.00 O ATOM 0 H ASP A 63 15.230 -8.705 -19.301 1.00 0.00 H new ATOM 0 HA ASP A 63 14.169 -7.233 -16.983 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.277 -9.449 -17.839 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.826 -10.170 -17.451 1.00 0.00 H new ATOM 965 N LYS A 64 16.254 -7.209 -15.546 1.00 0.00 N ATOM 966 CA LYS A 64 17.498 -7.111 -14.788 1.00 0.00 C ATOM 967 C LYS A 64 17.699 -8.327 -13.877 1.00 0.00 C ATOM 968 O LYS A 64 18.769 -8.487 -13.294 1.00 0.00 O ATOM 969 CB LYS A 64 17.541 -5.806 -13.984 1.00 0.00 C ATOM 970 CG LYS A 64 16.571 -5.748 -12.794 1.00 0.00 C ATOM 971 CD LYS A 64 15.095 -5.565 -13.174 1.00 0.00 C ATOM 972 CE LYS A 64 14.856 -4.287 -13.982 1.00 0.00 C ATOM 973 NZ LYS A 64 15.221 -3.083 -13.209 1.00 0.00 N ATOM 0 H LYS A 64 15.489 -6.644 -15.177 1.00 0.00 H new ATOM 0 HA LYS A 64 18.322 -7.100 -15.501 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.556 -5.657 -13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.321 -4.975 -14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.672 -6.667 -12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.868 -4.927 -12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.762 -6.426 -13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.490 -5.538 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.441 -4.322 -14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.807 -4.230 -14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.922 -2.233 -13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.747 -3.108 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.251 -3.059 -13.069 1.00 0.00 H new ATOM 987 N GLN A 65 16.676 -9.179 -13.744 1.00 0.00 N ATOM 988 CA GLN A 65 16.735 -10.359 -12.888 1.00 0.00 C ATOM 989 C GLN A 65 17.278 -11.586 -13.613 1.00 0.00 C ATOM 990 O GLN A 65 17.768 -12.512 -12.972 1.00 0.00 O ATOM 991 CB GLN A 65 15.322 -10.677 -12.405 1.00 0.00 C ATOM 992 CG GLN A 65 14.747 -9.572 -11.519 1.00 0.00 C ATOM 993 CD GLN A 65 15.492 -9.455 -10.196 1.00 0.00 C ATOM 994 OE1 GLN A 65 16.562 -8.665 -10.162 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 15.113 -10.078 -9.209 1.00 0.00 N flip ATOM 0 H GLN A 65 15.786 -9.066 -14.229 1.00 0.00 H new ATOM 0 HA GLN A 65 17.410 -10.133 -12.063 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.671 -10.824 -13.267 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.333 -11.615 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.797 -8.620 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.694 -9.774 -11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.288 -10.675 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.623 -9.998 -8.329 1.00 0.00 H new ATOM 1004 N THR A 66 17.190 -11.588 -14.946 1.00 0.00 N ATOM 1005 CA THR A 66 17.570 -12.728 -15.773 1.00 0.00 C ATOM 1006 C THR A 66 18.362 -12.364 -17.018 1.00 0.00 C ATOM 1007 O THR A 66 18.938 -13.235 -17.668 1.00 0.00 O ATOM 1008 CB THR A 66 16.360 -13.601 -16.117 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.794 -13.147 -17.326 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.277 -13.551 -15.042 1.00 0.00 C ATOM 0 H THR A 66 16.850 -10.790 -15.482 1.00 0.00 H new ATOM 0 HA THR A 66 18.255 -13.311 -15.157 1.00 0.00 H new ATOM 0 HB THR A 66 16.716 -14.628 -16.196 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.019 -13.703 -17.554 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.442 -14.187 -15.336 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.687 -13.905 -14.096 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.927 -12.525 -14.925 1.00 0.00 H new ATOM 1018 N ASN A 67 18.381 -11.069 -17.336 1.00 0.00 N ATOM 1019 CA ASN A 67 19.053 -10.517 -18.509 1.00 0.00 C ATOM 1020 C ASN A 67 18.477 -11.044 -19.826 1.00 0.00 C ATOM 1021 O ASN A 67 19.030 -10.771 -20.894 1.00 0.00 O ATOM 1022 CB ASN A 67 20.569 -10.697 -18.395 1.00 0.00 C ATOM 1023 CG ASN A 67 21.161 -9.912 -17.231 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.526 -9.022 -16.673 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.394 -10.237 -16.856 1.00 0.00 N ATOM 0 H ASN A 67 17.917 -10.359 -16.770 1.00 0.00 H new ATOM 0 HA ASN A 67 18.857 -9.445 -18.531 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.798 -11.755 -18.270 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.041 -10.376 -19.324 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.839 -9.742 -16.084 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.895 -10.982 -17.341 1.00 0.00 H new ATOM 1032 N LEU A 68 17.373 -11.793 -19.758 1.00 0.00 N ATOM 1033 CA LEU A 68 16.668 -12.257 -20.942 1.00 0.00 C ATOM 1034 C LEU A 68 15.747 -11.156 -21.456 1.00 0.00 C ATOM 1035 O LEU A 68 15.411 -10.225 -20.724 1.00 0.00 O ATOM 1036 CB LEU A 68 15.866 -13.521 -20.614 1.00 0.00 C ATOM 1037 CG LEU A 68 16.768 -14.660 -20.128 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.910 -15.857 -19.734 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.735 -15.087 -21.232 1.00 0.00 C ATOM 0 H LEU A 68 16.949 -12.091 -18.880 1.00 0.00 H new ATOM 0 HA LEU A 68 17.391 -12.501 -21.720 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.125 -13.292 -19.848 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.319 -13.844 -21.500 1.00 0.00 H new ATOM 0 HG LEU A 68 17.339 -14.307 -19.269 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.552 -16.667 -19.388 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.228 -15.568 -18.934 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.335 -16.193 -20.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.368 -15.897 -20.868 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.169 -15.429 -22.099 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.359 -14.240 -21.517 1.00 0.00 H new ATOM 1051 N SER A 69 15.336 -11.265 -22.720 1.00 0.00 N ATOM 1052 CA SER A 69 14.449 -10.278 -23.315 1.00 0.00 C ATOM 1053 C SER A 69 13.051 -10.380 -22.727 1.00 0.00 C ATOM 1054 O SER A 69 12.561 -11.478 -22.463 1.00 0.00 O ATOM 1055 CB SER A 69 14.409 -10.462 -24.833 1.00 0.00 C ATOM 1056 OG SER A 69 13.451 -9.593 -25.398 1.00 0.00 O ATOM 0 H SER A 69 15.604 -12.025 -23.345 1.00 0.00 H new ATOM 0 HA SER A 69 14.835 -9.284 -23.089 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.392 -10.260 -25.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.163 -11.496 -25.076 1.00 0.00 H new ATOM 0 HG SER A 69 13.432 -9.715 -26.370 1.00 0.00 H new ATOM 1062 N LYS A 70 12.403 -9.230 -22.525 1.00 0.00 N ATOM 1063 CA LYS A 70 11.024 -9.179 -22.055 1.00 0.00 C ATOM 1064 C LYS A 70 10.035 -9.474 -23.185 1.00 0.00 C ATOM 1065 O LYS A 70 8.826 -9.318 -23.004 1.00 0.00 O ATOM 1066 CB LYS A 70 10.735 -7.840 -21.382 1.00 0.00 C ATOM 1067 CG LYS A 70 11.564 -7.670 -20.107 1.00 0.00 C ATOM 1068 CD LYS A 70 11.016 -6.485 -19.317 1.00 0.00 C ATOM 1069 CE LYS A 70 11.723 -6.360 -17.970 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.212 -5.198 -17.219 1.00 0.00 N ATOM 0 H LYS A 70 12.821 -8.313 -22.683 1.00 0.00 H new ATOM 0 HA LYS A 70 10.891 -9.962 -21.308 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.956 -7.027 -22.074 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.674 -7.773 -21.141 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.520 -8.577 -19.505 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.612 -7.504 -20.358 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.149 -5.567 -19.890 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.945 -6.610 -19.161 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.572 -7.270 -17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.797 -6.255 -18.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.449 -5.304 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.647 -4.328 -17.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.179 -5.141 -17.327 1.00 0.00 H new ATOM 1084 N CYS A 71 10.549 -9.901 -24.342 1.00 0.00 N ATOM 1085 CA CYS A 71 9.749 -10.287 -25.494 1.00 0.00 C ATOM 1086 C CYS A 71 8.898 -9.156 -26.077 1.00 0.00 C ATOM 1087 O CYS A 71 7.866 -9.419 -26.695 1.00 0.00 O ATOM 1088 CB CYS A 71 8.940 -11.547 -25.171 1.00 0.00 C ATOM 1089 SG CYS A 71 10.088 -12.922 -24.882 1.00 0.00 S ATOM 0 H CYS A 71 11.553 -9.988 -24.501 1.00 0.00 H new ATOM 0 HA CYS A 71 10.442 -10.523 -26.301 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.320 -11.382 -24.290 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.267 -11.784 -25.995 1.00 0.00 H new ATOM 0 HG CYS A 71 9.414 -13.999 -24.604 1.00 0.00 H new ATOM 1095 N PHE A 72 9.304 -7.896 -25.901 1.00 0.00 N ATOM 1096 CA PHE A 72 8.574 -6.782 -26.493 1.00 0.00 C ATOM 1097 C PHE A 72 9.591 -5.638 -26.605 1.00 0.00 C ATOM 1098 O PHE A 72 10.668 -5.688 -26.008 1.00 0.00 O ATOM 1099 CB PHE A 72 7.403 -6.425 -25.569 1.00 0.00 C ATOM 1100 CG PHE A 72 7.680 -5.456 -24.444 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.252 -4.126 -24.565 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.335 -5.880 -23.282 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.457 -3.226 -23.510 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.538 -4.984 -22.226 1.00 0.00 C ATOM 1105 CZ PHE A 72 8.092 -3.658 -22.338 1.00 0.00 C ATOM 0 H PHE A 72 10.125 -7.628 -25.359 1.00 0.00 H new ATOM 0 HA PHE A 72 8.155 -7.006 -27.474 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.603 -6.010 -26.183 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.023 -7.349 -25.133 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.765 -3.795 -25.470 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.684 -6.899 -23.200 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.126 -2.202 -23.600 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.037 -5.313 -21.326 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.239 -2.969 -21.519 1.00 0.00 H new ATOM 1115 N GLY A 73 9.243 -4.605 -27.379 1.00 0.00 N ATOM 1116 CA GLY A 73 10.155 -3.521 -27.709 1.00 0.00 C ATOM 1117 C GLY A 73 9.451 -2.195 -27.987 1.00 0.00 C ATOM 1118 O GLY A 73 8.226 -2.090 -27.922 1.00 0.00 O ATOM 0 H GLY A 73 8.316 -4.503 -27.792 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.857 -3.385 -26.887 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.740 -3.803 -28.584 1.00 0.00 H new ATOM 1122 N PHE A 74 10.263 -1.185 -28.302 1.00 0.00 N ATOM 1123 CA PHE A 74 9.862 0.185 -28.573 1.00 0.00 C ATOM 1124 C PHE A 74 10.612 0.834 -29.740 1.00 0.00 C ATOM 1125 O PHE A 74 11.817 0.639 -29.879 1.00 0.00 O ATOM 1126 CB PHE A 74 9.841 1.007 -27.277 1.00 0.00 C ATOM 1127 CG PHE A 74 10.090 2.487 -27.457 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.229 3.076 -26.881 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.201 3.274 -28.205 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.515 4.426 -27.124 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.478 4.628 -28.432 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.642 5.204 -27.902 1.00 0.00 C ATOM 0 H PHE A 74 11.272 -1.314 -28.377 1.00 0.00 H new ATOM 0 HA PHE A 74 8.836 0.163 -28.940 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.873 0.872 -26.794 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.594 0.607 -26.598 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.882 2.489 -26.252 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.300 2.834 -28.607 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.409 4.870 -26.712 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.795 5.229 -29.015 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.866 6.243 -28.092 1.00 0.00 H new ATOM 1142 N VAL A 75 9.912 1.608 -30.579 1.00 0.00 N ATOM 1143 CA VAL A 75 10.485 2.240 -31.766 1.00 0.00 C ATOM 1144 C VAL A 75 9.848 3.612 -31.976 1.00 0.00 C ATOM 1145 O VAL A 75 8.709 3.835 -31.569 1.00 0.00 O ATOM 1146 CB VAL A 75 10.277 1.332 -32.992 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.824 1.976 -34.266 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.976 -0.022 -32.821 1.00 0.00 C ATOM 0 H VAL A 75 8.921 1.813 -30.448 1.00 0.00 H new ATOM 0 HA VAL A 75 11.557 2.380 -31.628 1.00 0.00 H new ATOM 0 HB VAL A 75 9.200 1.187 -33.076 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.660 1.307 -35.111 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.310 2.920 -34.446 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.892 2.160 -34.151 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.806 -0.634 -33.707 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.046 0.135 -32.689 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.573 -0.531 -31.945 1.00 0.00 H new ATOM 1158 N SER A 76 10.574 4.539 -32.617 1.00 0.00 N ATOM 1159 CA SER A 76 10.091 5.893 -32.843 1.00 0.00 C ATOM 1160 C SER A 76 10.493 6.419 -34.220 1.00 0.00 C ATOM 1161 O SER A 76 11.585 6.127 -34.705 1.00 0.00 O ATOM 1162 CB SER A 76 10.631 6.807 -31.742 1.00 0.00 C ATOM 1163 OG SER A 76 10.230 8.138 -31.977 1.00 0.00 O ATOM 0 H SER A 76 11.508 4.364 -32.989 1.00 0.00 H new ATOM 0 HA SER A 76 9.001 5.880 -32.813 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.265 6.475 -30.771 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.719 6.747 -31.710 1.00 0.00 H new ATOM 0 HG SER A 76 9.288 8.245 -31.728 1.00 0.00 H new ATOM 1169 N TYR A 77 9.604 7.195 -34.847 1.00 0.00 N ATOM 1170 CA TYR A 77 9.806 7.780 -36.165 1.00 0.00 C ATOM 1171 C TYR A 77 9.957 9.293 -36.201 1.00 0.00 C ATOM 1172 O TYR A 77 9.548 9.981 -35.271 1.00 0.00 O ATOM 1173 CB TYR A 77 8.730 7.313 -37.142 1.00 0.00 C ATOM 1174 CG TYR A 77 8.866 5.870 -37.552 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.603 5.528 -38.694 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.252 4.876 -36.780 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.723 4.184 -39.074 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.371 3.530 -37.147 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.108 3.182 -38.294 1.00 0.00 C ATOM 1180 OH TYR A 77 9.223 1.874 -38.644 1.00 0.00 O ATOM 0 H TYR A 77 8.702 7.437 -34.437 1.00 0.00 H new ATOM 0 HA TYR A 77 10.779 7.405 -36.481 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.751 7.461 -36.687 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.765 7.939 -38.033 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.078 6.300 -39.281 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.686 5.148 -35.901 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.283 3.917 -39.958 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.899 2.762 -36.552 1.00 0.00 H new ATOM 0 HH TYR A 77 10.076 1.733 -39.105 1.00 0.00 H new ATOM 1190 N ASP A 78 10.542 9.819 -37.281 1.00 0.00 N ATOM 1191 CA ASP A 78 10.641 11.259 -37.468 1.00 0.00 C ATOM 1192 C ASP A 78 9.316 11.900 -37.899 1.00 0.00 C ATOM 1193 O ASP A 78 9.154 13.118 -37.861 1.00 0.00 O ATOM 1194 CB ASP A 78 11.819 11.578 -38.394 1.00 0.00 C ATOM 1195 CG ASP A 78 11.871 13.037 -38.841 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.826 13.917 -37.951 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.960 13.267 -40.069 1.00 0.00 O ATOM 0 H ASP A 78 10.951 9.266 -38.034 1.00 0.00 H new ATOM 0 HA ASP A 78 10.849 11.722 -36.503 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.749 11.331 -37.882 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.760 10.939 -39.275 1.00 0.00 H new ATOM 1202 N ASN A 79 8.359 11.065 -38.309 1.00 0.00 N ATOM 1203 CA ASN A 79 7.027 11.499 -38.700 1.00 0.00 C ATOM 1204 C ASN A 79 6.008 10.377 -38.491 1.00 0.00 C ATOM 1205 O ASN A 79 6.362 9.201 -38.580 1.00 0.00 O ATOM 1206 CB ASN A 79 7.031 12.005 -40.148 1.00 0.00 C ATOM 1207 CG ASN A 79 7.843 11.135 -41.103 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.765 9.815 -40.951 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.538 11.649 -41.974 1.00 0.00 N flip ATOM 0 H ASN A 79 8.495 10.056 -38.378 1.00 0.00 H new ATOM 0 HA ASN A 79 6.728 12.331 -38.062 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.003 12.060 -40.507 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.430 13.019 -40.167 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.575 12.664 -42.063 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.078 11.061 -42.609 1.00 0.00 H new ATOM 1216 N PRO A 80 4.745 10.717 -38.212 1.00 0.00 N ATOM 1217 CA PRO A 80 3.707 9.747 -37.912 1.00 0.00 C ATOM 1218 C PRO A 80 3.306 8.924 -39.135 1.00 0.00 C ATOM 1219 O PRO A 80 2.772 7.829 -38.983 1.00 0.00 O ATOM 1220 CB PRO A 80 2.530 10.581 -37.408 1.00 0.00 C ATOM 1221 CG PRO A 80 2.709 11.907 -38.138 1.00 0.00 C ATOM 1222 CD PRO A 80 4.227 12.071 -38.155 1.00 0.00 C ATOM 0 HA PRO A 80 4.051 9.017 -37.179 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.574 10.115 -37.647 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.561 10.709 -36.326 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.293 11.876 -39.145 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.218 12.728 -37.615 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.552 12.656 -39.016 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.579 12.592 -37.265 1.00 0.00 H new ATOM 1230 N VAL A 81 3.555 9.428 -40.349 1.00 0.00 N ATOM 1231 CA VAL A 81 3.170 8.712 -41.557 1.00 0.00 C ATOM 1232 C VAL A 81 3.922 7.391 -41.694 1.00 0.00 C ATOM 1233 O VAL A 81 3.352 6.388 -42.118 1.00 0.00 O ATOM 1234 CB VAL A 81 3.361 9.625 -42.771 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.836 9.910 -43.060 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.742 8.974 -44.008 1.00 0.00 C ATOM 0 H VAL A 81 4.018 10.322 -40.514 1.00 0.00 H new ATOM 0 HA VAL A 81 2.115 8.446 -41.493 1.00 0.00 H new ATOM 0 HB VAL A 81 2.870 10.570 -42.539 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.917 10.562 -43.930 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.288 10.399 -42.197 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.355 8.973 -43.259 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.880 9.627 -44.870 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.227 8.016 -44.197 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.677 8.814 -43.841 1.00 0.00 H new ATOM 1246 N SER A 82 5.209 7.387 -41.333 1.00 0.00 N ATOM 1247 CA SER A 82 6.018 6.178 -41.365 1.00 0.00 C ATOM 1248 C SER A 82 5.649 5.255 -40.212 1.00 0.00 C ATOM 1249 O SER A 82 5.838 4.043 -40.306 1.00 0.00 O ATOM 1250 CB SER A 82 7.497 6.549 -41.266 1.00 0.00 C ATOM 1251 OG SER A 82 7.883 7.320 -42.388 1.00 0.00 O ATOM 0 H SER A 82 5.710 8.216 -41.014 1.00 0.00 H new ATOM 0 HA SER A 82 5.829 5.658 -42.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.678 7.111 -40.350 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.103 5.645 -41.211 1.00 0.00 H new ATOM 0 HG SER A 82 7.916 8.267 -42.138 1.00 0.00 H new ATOM 1257 N ALA A 83 5.121 5.816 -39.119 1.00 0.00 N ATOM 1258 CA ALA A 83 4.767 5.026 -37.953 1.00 0.00 C ATOM 1259 C ALA A 83 3.503 4.215 -38.220 1.00 0.00 C ATOM 1260 O ALA A 83 3.464 3.024 -37.922 1.00 0.00 O ATOM 1261 CB ALA A 83 4.581 5.951 -36.751 1.00 0.00 C ATOM 0 H ALA A 83 4.933 6.814 -39.025 1.00 0.00 H new ATOM 0 HA ALA A 83 5.571 4.323 -37.735 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.315 5.360 -35.875 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.510 6.488 -36.558 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.785 6.666 -36.962 1.00 0.00 H new ATOM 1267 N GLN A 84 2.467 4.844 -38.780 1.00 0.00 N ATOM 1268 CA GLN A 84 1.212 4.148 -39.040 1.00 0.00 C ATOM 1269 C GLN A 84 1.400 3.076 -40.112 1.00 0.00 C ATOM 1270 O GLN A 84 0.709 2.058 -40.091 1.00 0.00 O ATOM 1271 CB GLN A 84 0.140 5.159 -39.460 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.104 6.204 -38.364 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.435 5.575 -37.014 1.00 0.00 C ATOM 1274 OE1 GLN A 84 0.104 6.139 -35.937 1.00 0.00 O flip ATOM 1275 NE2 GLN A 84 -1.170 4.594 -36.933 1.00 0.00 N flip ATOM 0 H GLN A 84 2.475 5.825 -39.059 1.00 0.00 H new ATOM 0 HA GLN A 84 0.887 3.650 -38.127 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.449 5.658 -40.379 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.790 4.635 -39.679 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.782 6.830 -38.261 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.922 6.857 -38.666 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.568 4.184 -37.778 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.382 4.190 -36.021 1.00 0.00 H new ATOM 1284 N ALA A 85 2.329 3.293 -41.048 1.00 0.00 N ATOM 1285 CA ALA A 85 2.643 2.282 -42.040 1.00 0.00 C ATOM 1286 C ALA A 85 3.331 1.093 -41.378 1.00 0.00 C ATOM 1287 O ALA A 85 3.051 -0.051 -41.718 1.00 0.00 O ATOM 1288 CB ALA A 85 3.570 2.884 -43.091 1.00 0.00 C ATOM 0 H ALA A 85 2.868 4.155 -41.133 1.00 0.00 H new ATOM 0 HA ALA A 85 1.720 1.941 -42.510 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.810 2.129 -43.840 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.075 3.728 -43.572 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.488 3.226 -42.613 1.00 0.00 H new ATOM 1294 N ALA A 86 4.233 1.360 -40.426 1.00 0.00 N ATOM 1295 CA ALA A 86 4.974 0.312 -39.752 1.00 0.00 C ATOM 1296 C ALA A 86 4.075 -0.537 -38.853 1.00 0.00 C ATOM 1297 O ALA A 86 4.380 -1.705 -38.614 1.00 0.00 O ATOM 1298 CB ALA A 86 6.099 0.949 -38.943 1.00 0.00 C ATOM 0 H ALA A 86 4.461 2.303 -40.110 1.00 0.00 H new ATOM 0 HA ALA A 86 5.389 -0.360 -40.503 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.665 0.171 -38.431 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.762 1.499 -39.611 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.676 1.634 -38.208 1.00 0.00 H new ATOM 1304 N ILE A 87 2.966 0.023 -38.351 1.00 0.00 N ATOM 1305 CA ILE A 87 2.016 -0.769 -37.576 1.00 0.00 C ATOM 1306 C ILE A 87 1.381 -1.805 -38.488 1.00 0.00 C ATOM 1307 O ILE A 87 1.372 -2.993 -38.175 1.00 0.00 O ATOM 1308 CB ILE A 87 0.929 0.116 -36.947 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.543 1.083 -35.933 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.123 -0.774 -36.271 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.479 1.918 -35.215 1.00 0.00 C ATOM 0 H ILE A 87 2.712 1.004 -38.467 1.00 0.00 H new ATOM 0 HA ILE A 87 2.550 -1.261 -36.763 1.00 0.00 H new ATOM 0 HB ILE A 87 0.452 0.706 -37.729 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.118 0.520 -35.198 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.241 1.747 -36.443 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.896 -0.149 -35.824 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.574 -1.432 -37.013 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.352 -1.374 -35.495 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.962 2.590 -34.505 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.079 2.503 -35.946 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.204 1.257 -34.682 1.00 0.00 H new ATOM 1323 N GLN A 88 0.852 -1.354 -39.626 1.00 0.00 N ATOM 1324 CA GLN A 88 0.200 -2.239 -40.579 1.00 0.00 C ATOM 1325 C GLN A 88 1.205 -3.193 -41.230 1.00 0.00 C ATOM 1326 O GLN A 88 0.804 -4.152 -41.886 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.506 -1.405 -41.648 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.593 -0.519 -41.032 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.261 0.373 -42.075 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.926 0.336 -43.256 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.217 1.189 -41.639 1.00 0.00 N ATOM 0 H GLN A 88 0.865 -0.374 -39.907 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.532 -2.844 -40.044 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.223 -0.783 -42.167 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.950 -2.065 -42.393 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.346 -1.147 -40.556 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.155 0.102 -40.250 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.471 1.195 -40.651 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.696 1.809 -42.293 1.00 0.00 H new ATOM 1340 N ALA A 89 2.504 -2.935 -41.049 1.00 0.00 N ATOM 1341 CA ALA A 89 3.552 -3.739 -41.648 1.00 0.00 C ATOM 1342 C ALA A 89 4.017 -4.879 -40.737 1.00 0.00 C ATOM 1343 O ALA A 89 4.462 -5.908 -41.240 1.00 0.00 O ATOM 1344 CB ALA A 89 4.732 -2.820 -41.965 1.00 0.00 C ATOM 0 H ALA A 89 2.849 -2.161 -40.482 1.00 0.00 H new ATOM 0 HA ALA A 89 3.154 -4.203 -42.551 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.535 -3.402 -42.417 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.412 -2.043 -42.659 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.092 -2.359 -41.045 1.00 0.00 H new ATOM 1350 N MET A 90 3.923 -4.707 -39.414 1.00 0.00 N ATOM 1351 CA MET A 90 4.418 -5.707 -38.472 1.00 0.00 C ATOM 1352 C MET A 90 3.340 -6.258 -37.544 1.00 0.00 C ATOM 1353 O MET A 90 3.538 -7.310 -36.940 1.00 0.00 O ATOM 1354 CB MET A 90 5.587 -5.123 -37.674 1.00 0.00 C ATOM 1355 CG MET A 90 6.811 -4.908 -38.569 1.00 0.00 C ATOM 1356 SD MET A 90 7.505 -6.408 -39.315 1.00 0.00 S ATOM 1357 CE MET A 90 7.986 -7.325 -37.825 1.00 0.00 C ATOM 0 H MET A 90 3.509 -3.885 -38.975 1.00 0.00 H new ATOM 0 HA MET A 90 4.759 -6.560 -39.058 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.289 -4.175 -37.226 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.844 -5.795 -36.855 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.539 -4.218 -39.368 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.589 -4.422 -37.980 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.512 -8.236 -38.112 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.641 -6.706 -37.212 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.095 -7.585 -37.254 1.00 0.00 H new ATOM 1367 N ASN A 91 2.200 -5.575 -37.417 1.00 0.00 N ATOM 1368 CA ASN A 91 1.091 -6.094 -36.634 1.00 0.00 C ATOM 1369 C ASN A 91 0.568 -7.365 -37.300 1.00 0.00 C ATOM 1370 O ASN A 91 0.359 -7.393 -38.512 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.002 -5.025 -36.538 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.078 -5.383 -35.527 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.921 -6.301 -34.727 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.186 -4.653 -35.558 1.00 0.00 N ATOM 0 H ASN A 91 2.027 -4.666 -37.846 1.00 0.00 H new ATOM 0 HA ASN A 91 1.416 -6.341 -35.623 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.449 -4.072 -36.261 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.459 -4.889 -37.518 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.943 -4.847 -34.903 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.280 -3.898 -36.237 1.00 0.00 H new ATOM 1381 N GLY A 92 0.356 -8.418 -36.509 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.139 -9.692 -37.005 1.00 0.00 C ATOM 1383 C GLY A 92 0.953 -10.541 -37.659 1.00 0.00 C ATOM 1384 O GLY A 92 0.652 -11.625 -38.157 1.00 0.00 O ATOM 0 H GLY A 92 0.525 -8.406 -35.503 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.581 -10.250 -36.180 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.933 -9.510 -37.729 1.00 0.00 H new ATOM 1388 N PHE A 93 2.202 -10.075 -37.670 1.00 0.00 N ATOM 1389 CA PHE A 93 3.305 -10.805 -38.285 1.00 0.00 C ATOM 1390 C PHE A 93 3.562 -12.107 -37.528 1.00 0.00 C ATOM 1391 O PHE A 93 3.881 -12.079 -36.340 1.00 0.00 O ATOM 1392 CB PHE A 93 4.549 -9.915 -38.321 1.00 0.00 C ATOM 1393 CG PHE A 93 5.781 -10.564 -38.908 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.630 -11.342 -38.109 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.083 -10.376 -40.266 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.781 -11.920 -38.662 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.233 -10.956 -40.819 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.084 -11.728 -40.018 1.00 0.00 C ATOM 0 H PHE A 93 2.474 -9.184 -37.254 1.00 0.00 H new ATOM 0 HA PHE A 93 3.047 -11.069 -39.311 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.319 -9.018 -38.897 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.776 -9.592 -37.305 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.397 -11.496 -37.066 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.427 -9.783 -40.886 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.436 -12.515 -38.043 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.463 -10.807 -41.864 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.971 -12.174 -40.443 1.00 0.00 H new ATOM 1408 N GLN A 94 3.425 -13.256 -38.199 1.00 0.00 N ATOM 1409 CA GLN A 94 3.586 -14.547 -37.548 1.00 0.00 C ATOM 1410 C GLN A 94 5.059 -14.896 -37.362 1.00 0.00 C ATOM 1411 O GLN A 94 5.836 -14.873 -38.315 1.00 0.00 O ATOM 1412 CB GLN A 94 2.861 -15.632 -38.352 1.00 0.00 C ATOM 1413 CG GLN A 94 3.074 -17.000 -37.698 1.00 0.00 C ATOM 1414 CD GLN A 94 2.260 -18.097 -38.368 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.444 -17.846 -39.251 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.477 -19.342 -37.948 1.00 0.00 N ATOM 0 H GLN A 94 3.203 -13.311 -39.193 1.00 0.00 H new ATOM 0 HA GLN A 94 3.140 -14.489 -36.555 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.796 -15.407 -38.404 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.234 -15.647 -39.376 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.132 -17.259 -37.741 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.802 -16.942 -36.644 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.161 -19.520 -37.213 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.959 -20.117 -38.362 1.00 0.00 H new ATOM 1425 N ILE A 95 5.435 -15.222 -36.123 1.00 0.00 N ATOM 1426 CA ILE A 95 6.794 -15.607 -35.776 1.00 0.00 C ATOM 1427 C ILE A 95 6.781 -16.462 -34.507 1.00 0.00 C ATOM 1428 O ILE A 95 6.095 -16.134 -33.542 1.00 0.00 O ATOM 1429 CB ILE A 95 7.632 -14.336 -35.599 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.094 -14.671 -35.306 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.069 -13.447 -34.484 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.941 -13.395 -35.257 1.00 0.00 C ATOM 0 H ILE A 95 4.794 -15.224 -35.329 1.00 0.00 H new ATOM 0 HA ILE A 95 7.239 -16.208 -36.569 1.00 0.00 H new ATOM 0 HB ILE A 95 7.582 -13.787 -36.540 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.168 -15.200 -34.356 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.480 -15.341 -36.074 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.686 -12.554 -34.384 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.048 -13.157 -34.731 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.072 -13.997 -33.543 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.979 -13.655 -35.047 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.882 -12.882 -36.217 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.565 -12.739 -34.472 1.00 0.00 H new ATOM 1444 N GLY A 96 7.532 -17.567 -34.487 1.00 0.00 N ATOM 1445 CA GLY A 96 7.615 -18.395 -33.290 1.00 0.00 C ATOM 1446 C GLY A 96 6.253 -18.945 -32.866 1.00 0.00 C ATOM 1447 O GLY A 96 6.005 -19.126 -31.676 1.00 0.00 O ATOM 0 H GLY A 96 8.083 -17.902 -35.277 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.298 -19.225 -33.472 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.037 -17.808 -32.474 1.00 0.00 H new ATOM 1451 N MET A 97 5.374 -19.208 -33.839 1.00 0.00 N ATOM 1452 CA MET A 97 4.018 -19.701 -33.606 1.00 0.00 C ATOM 1453 C MET A 97 3.139 -18.718 -32.819 1.00 0.00 C ATOM 1454 O MET A 97 2.179 -19.131 -32.169 1.00 0.00 O ATOM 1455 CB MET A 97 4.040 -21.109 -33.001 1.00 0.00 C ATOM 1456 CG MET A 97 4.801 -22.074 -33.910 1.00 0.00 C ATOM 1457 SD MET A 97 4.822 -23.788 -33.326 1.00 0.00 S ATOM 1458 CE MET A 97 5.818 -23.592 -31.827 1.00 0.00 C ATOM 0 H MET A 97 5.592 -19.081 -34.827 1.00 0.00 H new ATOM 0 HA MET A 97 3.536 -19.778 -34.581 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.509 -21.081 -32.018 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.020 -21.465 -32.857 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.355 -22.047 -34.904 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.828 -21.725 -34.012 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.141 -24.571 -31.474 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.692 -22.979 -32.048 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.221 -23.107 -31.054 1.00 0.00 H new ATOM 1468 N LYS A 98 3.462 -17.422 -32.873 1.00 0.00 N ATOM 1469 CA LYS A 98 2.654 -16.365 -32.273 1.00 0.00 C ATOM 1470 C LYS A 98 2.735 -15.122 -33.162 1.00 0.00 C ATOM 1471 O LYS A 98 3.732 -14.920 -33.849 1.00 0.00 O ATOM 1472 CB LYS A 98 3.146 -16.106 -30.843 1.00 0.00 C ATOM 1473 CG LYS A 98 2.248 -15.129 -30.075 1.00 0.00 C ATOM 1474 CD LYS A 98 2.683 -15.104 -28.603 1.00 0.00 C ATOM 1475 CE LYS A 98 1.765 -14.217 -27.760 1.00 0.00 C ATOM 1476 NZ LYS A 98 2.162 -14.252 -26.339 1.00 0.00 N ATOM 0 H LYS A 98 4.301 -17.078 -33.340 1.00 0.00 H new ATOM 0 HA LYS A 98 1.606 -16.655 -32.205 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.193 -17.051 -30.303 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.160 -15.709 -30.879 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.322 -14.131 -30.507 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.205 -15.434 -30.154 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.677 -16.118 -28.204 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.708 -14.740 -28.532 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.804 -13.192 -28.128 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.733 -14.553 -27.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.761 -13.429 -25.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.806 -15.125 -25.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.199 -14.226 -26.268 1.00 0.00 H new ATOM 1490 N ARG A 99 1.702 -14.280 -33.169 1.00 0.00 N ATOM 1491 CA ARG A 99 1.698 -13.099 -34.025 1.00 0.00 C ATOM 1492 C ARG A 99 2.162 -11.877 -33.245 1.00 0.00 C ATOM 1493 O ARG A 99 1.706 -11.654 -32.126 1.00 0.00 O ATOM 1494 CB ARG A 99 0.309 -12.877 -34.621 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.090 -14.065 -35.502 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.434 -13.809 -36.185 1.00 0.00 C ATOM 1497 NE ARG A 99 -2.509 -13.599 -35.206 1.00 0.00 N ATOM 1498 CZ ARG A 99 -3.465 -12.671 -35.318 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -3.520 -11.865 -36.374 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -4.379 -12.550 -34.361 1.00 0.00 N ATOM 0 H ARG A 99 0.865 -14.394 -32.597 1.00 0.00 H new ATOM 0 HA ARG A 99 2.395 -13.259 -34.847 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.420 -12.748 -33.821 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.301 -11.960 -35.210 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.678 -14.239 -36.255 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.152 -14.969 -34.895 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.354 -12.934 -36.831 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.684 -14.655 -36.825 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.527 -14.203 -34.384 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.825 -11.949 -37.116 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.257 -11.163 -36.442 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.349 -13.163 -33.546 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.111 -11.844 -34.441 1.00 0.00 H new ATOM 1514 N LEU A 100 3.059 -11.080 -33.833 1.00 0.00 N ATOM 1515 CA LEU A 100 3.531 -9.850 -33.211 1.00 0.00 C ATOM 1516 C LEU A 100 2.391 -8.845 -33.064 1.00 0.00 C ATOM 1517 O LEU A 100 1.722 -8.519 -34.041 1.00 0.00 O ATOM 1518 CB LEU A 100 4.657 -9.233 -34.042 1.00 0.00 C ATOM 1519 CG LEU A 100 5.869 -10.152 -34.172 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.955 -9.447 -34.981 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.426 -10.509 -32.795 1.00 0.00 C ATOM 0 H LEU A 100 3.472 -11.271 -34.746 1.00 0.00 H new ATOM 0 HA LEU A 100 3.910 -10.097 -32.219 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.280 -8.994 -35.036 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.967 -8.293 -33.585 1.00 0.00 H new ATOM 0 HG LEU A 100 5.558 -11.067 -34.676 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.821 -10.102 -35.075 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.572 -9.207 -35.973 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.248 -8.528 -34.473 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.289 -11.165 -32.910 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.728 -9.599 -32.278 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.658 -11.019 -32.213 1.00 0.00 H new ATOM 1533 N LYS A 101 2.178 -8.354 -31.839 1.00 0.00 N ATOM 1534 CA LYS A 101 1.234 -7.274 -31.598 1.00 0.00 C ATOM 1535 C LYS A 101 1.978 -5.955 -31.777 1.00 0.00 C ATOM 1536 O LYS A 101 3.120 -5.833 -31.337 1.00 0.00 O ATOM 1537 CB LYS A 101 0.659 -7.409 -30.186 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.410 -6.348 -29.889 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.613 -6.172 -28.382 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.882 -7.490 -27.659 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.178 -8.071 -28.047 1.00 0.00 N ATOM 0 H LYS A 101 2.651 -8.693 -31.001 1.00 0.00 H new ATOM 0 HA LYS A 101 0.400 -7.312 -32.299 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.226 -8.402 -30.066 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.465 -7.323 -29.458 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.115 -5.397 -30.332 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.352 -6.638 -30.354 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.273 -5.703 -27.954 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.448 -5.493 -28.210 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.084 -8.198 -27.884 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.866 -7.324 -26.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.295 -8.997 -27.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.946 -7.437 -27.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.210 -8.190 -29.080 1.00 0.00 H new ATOM 1555 N VAL A 102 1.339 -4.970 -32.410 1.00 0.00 N ATOM 1556 CA VAL A 102 1.905 -3.636 -32.543 1.00 0.00 C ATOM 1557 C VAL A 102 0.834 -2.597 -32.223 1.00 0.00 C ATOM 1558 O VAL A 102 -0.315 -2.763 -32.623 1.00 0.00 O ATOM 1559 CB VAL A 102 2.509 -3.438 -33.939 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.168 -2.068 -34.085 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.553 -4.509 -34.244 1.00 0.00 C ATOM 0 H VAL A 102 0.421 -5.078 -32.841 1.00 0.00 H new ATOM 0 HA VAL A 102 2.720 -3.511 -31.831 1.00 0.00 H new ATOM 0 HB VAL A 102 1.681 -3.514 -34.644 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.583 -1.969 -35.088 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.425 -1.288 -33.921 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.967 -1.968 -33.350 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.964 -4.343 -35.240 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.355 -4.456 -33.507 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.087 -5.494 -34.203 1.00 0.00 H new ATOM 1571 N GLN A 103 1.201 -1.529 -31.505 1.00 0.00 N ATOM 1572 CA GLN A 103 0.230 -0.526 -31.090 1.00 0.00 C ATOM 1573 C GLN A 103 0.871 0.859 -30.991 1.00 0.00 C ATOM 1574 O GLN A 103 2.082 0.980 -30.823 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.376 -0.965 -29.750 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.484 -0.016 -29.274 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.160 -0.490 -27.987 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -2.727 0.313 -27.250 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.119 -1.790 -27.699 1.00 0.00 N ATOM 0 H GLN A 103 2.158 -1.343 -31.204 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.560 -0.447 -31.837 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.781 -1.972 -29.849 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.410 -1.010 -28.996 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.062 0.976 -29.113 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.235 0.081 -30.058 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.642 -2.437 -28.327 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.565 -2.139 -26.850 1.00 0.00 H new ATOM 1588 N LEU A 104 0.054 1.909 -31.100 1.00 0.00 N ATOM 1589 CA LEU A 104 0.513 3.283 -30.962 1.00 0.00 C ATOM 1590 C LEU A 104 0.793 3.595 -29.489 1.00 0.00 C ATOM 1591 O LEU A 104 0.128 3.055 -28.605 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.580 4.202 -31.530 1.00 0.00 C ATOM 1593 CG LEU A 104 -0.034 5.394 -32.325 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.213 6.134 -32.952 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.734 6.378 -31.449 1.00 0.00 C ATOM 0 H LEU A 104 -0.945 1.825 -31.287 1.00 0.00 H new ATOM 0 HA LEU A 104 1.442 3.440 -31.510 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.235 3.616 -32.175 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.192 4.575 -30.708 1.00 0.00 H new ATOM 0 HG LEU A 104 0.654 5.006 -33.076 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.845 6.987 -33.523 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.755 5.460 -33.615 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.882 6.485 -32.166 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.099 7.203 -32.062 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.074 6.766 -30.673 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.579 5.869 -30.985 1.00 0.00 H new ATOM 1607 N LYS A 105 1.772 4.466 -29.218 1.00 0.00 N ATOM 1608 CA LYS A 105 2.079 4.919 -27.867 1.00 0.00 C ATOM 1609 C LYS A 105 0.886 5.658 -27.258 1.00 0.00 C ATOM 1610 O LYS A 105 0.030 6.174 -27.974 1.00 0.00 O ATOM 1611 CB LYS A 105 3.335 5.801 -27.908 1.00 0.00 C ATOM 1612 CG LYS A 105 3.654 6.397 -26.533 1.00 0.00 C ATOM 1613 CD LYS A 105 5.009 7.104 -26.537 1.00 0.00 C ATOM 1614 CE LYS A 105 5.264 7.680 -25.140 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.547 8.397 -25.074 1.00 0.00 N ATOM 0 H LYS A 105 2.372 4.874 -29.935 1.00 0.00 H new ATOM 0 HA LYS A 105 2.278 4.059 -27.227 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.183 5.210 -28.254 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.191 6.606 -28.629 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.873 7.103 -26.250 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.656 5.606 -25.783 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.800 6.405 -26.808 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.018 7.900 -27.282 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.454 8.358 -24.872 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.260 6.873 -24.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.686 8.773 -24.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.322 7.743 -25.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.541 9.182 -25.756 1.00 0.00 H new ATOM 1629 N ARG A 106 0.838 5.705 -25.925 1.00 0.00 N ATOM 1630 CA ARG A 106 -0.216 6.368 -25.165 1.00 0.00 C ATOM 1631 C ARG A 106 0.402 7.065 -23.957 1.00 0.00 C ATOM 1632 O ARG A 106 1.512 6.730 -23.548 1.00 0.00 O ATOM 1633 CB ARG A 106 -1.265 5.338 -24.725 1.00 0.00 C ATOM 1634 CG ARG A 106 -0.625 4.257 -23.850 1.00 0.00 C ATOM 1635 CD ARG A 106 -1.673 3.311 -23.259 1.00 0.00 C ATOM 1636 NE ARG A 106 -2.394 2.574 -24.303 1.00 0.00 N ATOM 1637 CZ ARG A 106 -3.723 2.468 -24.389 1.00 0.00 C ATOM 1638 NH1 ARG A 106 -4.521 3.040 -23.492 1.00 0.00 N ATOM 1639 NH2 ARG A 106 -4.266 1.778 -25.387 1.00 0.00 N ATOM 0 H ARG A 106 1.548 5.273 -25.334 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.711 7.114 -25.787 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.062 5.836 -24.173 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.723 4.880 -25.602 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.088 3.685 -24.443 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.064 4.728 -23.043 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.187 2.605 -22.586 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.383 3.883 -22.662 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.837 2.106 -25.019 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.121 3.572 -22.719 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.533 2.946 -23.577 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.668 1.332 -26.083 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.280 1.694 -25.457 1.00 0.00 H new ATOM 1653 N SER A 107 -0.319 8.034 -23.383 1.00 0.00 N ATOM 1654 CA SER A 107 0.125 8.707 -22.173 1.00 0.00 C ATOM 1655 C SER A 107 0.218 7.712 -21.018 1.00 0.00 C ATOM 1656 O SER A 107 -0.486 6.704 -21.001 1.00 0.00 O ATOM 1657 CB SER A 107 -0.852 9.823 -21.812 1.00 0.00 C ATOM 1658 OG SER A 107 -0.465 10.433 -20.597 1.00 0.00 O ATOM 0 H SER A 107 -1.214 8.365 -23.743 1.00 0.00 H new ATOM 0 HA SER A 107 1.112 9.134 -22.352 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.878 10.566 -22.609 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.860 9.419 -21.720 1.00 0.00 H new ATOM 0 HG SER A 107 -1.097 11.149 -20.375 1.00 0.00 H new ATOM 1664 N LYS A 108 1.087 7.990 -20.045 1.00 0.00 N ATOM 1665 CA LYS A 108 1.253 7.115 -18.896 1.00 0.00 C ATOM 1666 C LYS A 108 0.024 7.175 -17.993 1.00 0.00 C ATOM 1667 O LYS A 108 -0.198 6.267 -17.197 1.00 0.00 O ATOM 1668 CB LYS A 108 2.521 7.509 -18.130 1.00 0.00 C ATOM 1669 CG LYS A 108 3.775 7.451 -19.010 1.00 0.00 C ATOM 1670 CD LYS A 108 4.039 6.030 -19.519 1.00 0.00 C ATOM 1671 CE LYS A 108 5.323 6.010 -20.343 1.00 0.00 C ATOM 1672 NZ LYS A 108 5.649 4.637 -20.772 1.00 0.00 N ATOM 0 H LYS A 108 1.685 8.816 -20.035 1.00 0.00 H new ATOM 0 HA LYS A 108 1.359 6.086 -19.241 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.405 8.518 -17.734 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.648 6.844 -17.276 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.657 8.126 -19.858 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.636 7.801 -18.441 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.124 5.342 -18.678 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.200 5.689 -20.126 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.210 6.652 -21.217 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.145 6.416 -19.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.423 4.665 -21.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.944 4.076 -19.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.811 4.200 -21.206 1.00 0.00 H new ATOM 1686 N ASN A 109 -0.776 8.238 -18.118 1.00 0.00 N ATOM 1687 CA ASN A 109 -2.031 8.365 -17.391 1.00 0.00 C ATOM 1688 C ASN A 109 -3.136 7.569 -18.085 1.00 0.00 C ATOM 1689 O ASN A 109 -4.178 7.309 -17.488 1.00 0.00 O ATOM 1690 CB ASN A 109 -2.410 9.845 -17.296 1.00 0.00 C ATOM 1691 CG ASN A 109 -1.365 10.666 -16.553 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -0.548 10.133 -15.803 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -1.382 11.979 -16.758 1.00 0.00 N ATOM 0 H ASN A 109 -0.568 9.030 -18.726 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.909 7.960 -16.386 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.539 10.249 -18.300 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -3.370 9.939 -16.789 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.704 12.578 -16.287 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.073 12.388 -17.387 1.00 0.00 H new ATOM 1700 N ASP A 110 -2.910 7.185 -19.346 1.00 0.00 N ATOM 1701 CA ASP A 110 -3.853 6.396 -20.133 1.00 0.00 C ATOM 1702 C ASP A 110 -3.477 4.921 -20.236 1.00 0.00 C ATOM 1703 O ASP A 110 -4.229 4.121 -20.795 1.00 0.00 O ATOM 1704 CB ASP A 110 -4.048 7.026 -21.517 1.00 0.00 C ATOM 1705 CG ASP A 110 -4.784 8.367 -21.475 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -5.220 8.772 -20.375 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -4.905 8.981 -22.558 1.00 0.00 O ATOM 0 H ASP A 110 -2.055 7.418 -19.851 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.802 6.415 -19.598 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.073 7.169 -21.984 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.605 6.334 -22.148 1.00 0.00 H new ATOM 1712 N SER A 111 -2.309 4.553 -19.698 1.00 0.00 N ATOM 1713 CA SER A 111 -1.828 3.176 -19.712 1.00 0.00 C ATOM 1714 C SER A 111 -2.257 2.423 -18.451 1.00 0.00 C ATOM 1715 O SER A 111 -1.973 1.233 -18.312 1.00 0.00 O ATOM 1716 CB SER A 111 -0.306 3.178 -19.862 1.00 0.00 C ATOM 1717 OG SER A 111 0.174 1.861 -20.025 1.00 0.00 O ATOM 0 H SER A 111 -1.673 5.206 -19.241 1.00 0.00 H new ATOM 0 HA SER A 111 -2.272 2.654 -20.560 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.020 3.785 -20.721 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.152 3.633 -18.983 1.00 0.00 H new ATOM 0 HG SER A 111 -0.447 1.232 -19.602 1.00 0.00 H new ATOM 1723 N LYS A 112 -2.939 3.113 -17.529 1.00 0.00 N ATOM 1724 CA LYS A 112 -3.393 2.532 -16.272 1.00 0.00 C ATOM 1725 C LYS A 112 -4.814 2.992 -15.944 1.00 0.00 C ATOM 1726 O LYS A 112 -5.215 4.081 -16.355 1.00 0.00 O ATOM 1727 CB LYS A 112 -2.432 2.906 -15.137 1.00 0.00 C ATOM 1728 CG LYS A 112 -1.018 2.383 -15.406 1.00 0.00 C ATOM 1729 CD LYS A 112 -0.114 2.604 -14.189 1.00 0.00 C ATOM 1730 CE LYS A 112 0.008 4.086 -13.819 1.00 0.00 C ATOM 1731 NZ LYS A 112 0.650 4.869 -14.892 1.00 0.00 N ATOM 0 H LYS A 112 -3.190 4.095 -17.640 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.403 1.447 -16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.405 3.990 -15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.800 2.496 -14.197 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.058 1.321 -15.646 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.597 2.890 -16.274 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.511 2.051 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.877 2.201 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.983 4.492 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.587 4.185 -12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.151 5.681 -14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.328 4.268 -15.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.076 5.211 -15.554 1.00 0.00 H new ATOM 1745 N PRO A 113 -5.583 2.181 -15.206 1.00 0.00 N ATOM 1746 CA PRO A 113 -6.928 2.522 -14.768 1.00 0.00 C ATOM 1747 C PRO A 113 -6.895 3.536 -13.624 1.00 0.00 C ATOM 1748 O PRO A 113 -7.915 4.151 -13.316 1.00 0.00 O ATOM 1749 CB PRO A 113 -7.525 1.196 -14.298 1.00 0.00 C ATOM 1750 CG PRO A 113 -6.307 0.444 -13.764 1.00 0.00 C ATOM 1751 CD PRO A 113 -5.207 0.860 -14.736 1.00 0.00 C ATOM 0 HA PRO A 113 -7.513 2.984 -15.563 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -8.279 1.344 -13.525 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.006 0.658 -15.114 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -6.072 0.730 -12.739 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -6.463 -0.635 -13.766 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -4.235 0.881 -14.243 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -5.129 0.156 -15.565 1.00 0.00 H new ATOM 1759 N TRP A 114 -5.728 3.709 -12.994 1.00 0.00 N ATOM 1760 CA TRP A 114 -5.538 4.635 -11.887 1.00 0.00 C ATOM 1761 C TRP A 114 -5.527 6.084 -12.362 1.00 0.00 C ATOM 1762 O TRP A 114 -6.306 6.878 -11.791 1.00 0.00 O ATOM 1763 CB TRP A 114 -4.245 4.285 -11.150 1.00 0.00 C ATOM 1764 CG TRP A 114 -4.236 2.940 -10.493 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -3.753 1.803 -11.042 1.00 0.00 C ATOM 1766 CD2 TRP A 114 -4.786 2.547 -9.197 1.00 0.00 C ATOM 1767 NE1 TRP A 114 -3.938 0.745 -10.174 1.00 0.00 N ATOM 1768 CE2 TRP A 114 -4.571 1.151 -9.017 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -5.433 3.229 -8.151 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 -4.973 0.470 -7.862 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 -5.842 2.559 -6.987 1.00 0.00 C ATOM 1772 CH2 TRP A 114 -5.614 1.183 -6.840 1.00 0.00 C ATOM 0 H TRP A 114 -4.881 3.200 -13.247 1.00 0.00 H new ATOM 0 HA TRP A 114 -6.379 4.536 -11.200 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -3.417 4.333 -11.857 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.060 5.045 -10.391 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.291 1.732 -12.016 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.645 -0.213 -10.364 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.619 4.289 -8.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -4.792 -0.590 -7.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.336 3.107 -6.199 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -5.932 0.674 -5.942 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 2.285 -14.574 -23.336 1.00 0.00 O ATOM 1785 C5' U B 115 1.593 -13.659 -22.513 1.00 0.00 C ATOM 1786 C4' U B 115 1.811 -12.234 -23.018 1.00 0.00 C ATOM 1787 O4' U B 115 1.218 -12.065 -24.301 1.00 0.00 O ATOM 1788 C3' U B 115 1.131 -11.243 -22.073 1.00 0.00 C ATOM 1789 O3' U B 115 1.854 -10.037 -22.036 1.00 0.00 O ATOM 1790 C2' U B 115 -0.239 -11.074 -22.712 1.00 0.00 C ATOM 1791 O2' U B 115 -0.798 -9.807 -22.440 1.00 0.00 O ATOM 1792 C1' U B 115 0.030 -11.297 -24.197 1.00 0.00 C ATOM 1793 N1 U B 115 -1.112 -11.970 -24.865 1.00 0.00 N ATOM 1794 C2 U B 115 -1.720 -11.318 -25.929 1.00 0.00 C ATOM 1795 O2 U B 115 -1.344 -10.216 -26.328 1.00 0.00 O ATOM 1796 N3 U B 115 -2.778 -11.973 -26.535 1.00 0.00 N ATOM 1797 C4 U B 115 -3.283 -13.208 -26.171 1.00 0.00 C ATOM 1798 O4 U B 115 -4.232 -13.698 -26.778 1.00 0.00 O ATOM 1799 C5 U B 115 -2.602 -13.817 -25.053 1.00 0.00 C ATOM 1800 C6 U B 115 -1.566 -13.195 -24.445 1.00 0.00 C ATOM 0 H5' U B 115 1.942 -13.746 -21.484 1.00 0.00 H new ATOM 0 H5'' U B 115 0.529 -13.893 -22.509 1.00 0.00 H new ATOM 0 H4' U B 115 2.885 -12.056 -23.069 1.00 0.00 H new ATOM 0 H3' U B 115 1.071 -11.571 -21.035 1.00 0.00 H new ATOM 0 H2' U B 115 -0.980 -11.771 -22.320 1.00 0.00 H new ATOM 0 HO2' U B 115 -0.085 -9.136 -22.400 1.00 0.00 H new ATOM 0 HO5' U B 115 2.142 -15.485 -23.005 1.00 0.00 H new ATOM 0 H1' U B 115 0.152 -10.340 -24.704 1.00 0.00 H new ATOM 0 H3 U B 115 -3.226 -11.502 -27.321 1.00 0.00 H new ATOM 0 H5 U B 115 -2.925 -14.784 -24.697 1.00 0.00 H new ATOM 0 H6 U B 115 -1.083 -13.675 -23.607 1.00 0.00 H new ATOM 1811 P U B 116 3.016 -9.840 -20.940 1.00 0.00 P ATOM 1812 OP1 U B 116 4.119 -10.774 -21.256 1.00 0.00 O ATOM 1813 OP2 U B 116 2.383 -9.876 -19.603 1.00 0.00 O ATOM 1814 O5' U B 116 3.513 -8.337 -21.213 1.00 0.00 O ATOM 1815 C5' U B 116 4.494 -8.063 -22.192 1.00 0.00 C ATOM 1816 C4' U B 116 4.823 -6.572 -22.234 1.00 0.00 C ATOM 1817 O4' U B 116 4.027 -5.959 -23.225 1.00 0.00 O ATOM 1818 C3' U B 116 4.541 -5.859 -20.913 1.00 0.00 C ATOM 1819 O3' U B 116 5.450 -4.782 -20.797 1.00 0.00 O ATOM 1820 C2' U B 116 3.088 -5.406 -21.111 1.00 0.00 C ATOM 1821 O2' U B 116 2.772 -4.224 -20.403 1.00 0.00 O ATOM 1822 C1' U B 116 3.027 -5.166 -22.617 1.00 0.00 C ATOM 1823 N1 U B 116 1.696 -5.460 -23.196 1.00 0.00 N ATOM 1824 C2 U B 116 0.983 -4.381 -23.693 1.00 0.00 C ATOM 1825 O2 U B 116 1.400 -3.229 -23.624 1.00 0.00 O ATOM 1826 N3 U B 116 -0.240 -4.659 -24.280 1.00 0.00 N ATOM 1827 C4 U B 116 -0.810 -5.908 -24.407 1.00 0.00 C ATOM 1828 O4 U B 116 -1.902 -6.043 -24.954 1.00 0.00 O ATOM 1829 C5 U B 116 -0.015 -6.979 -23.845 1.00 0.00 C ATOM 1830 C6 U B 116 1.182 -6.734 -23.258 1.00 0.00 C ATOM 0 H5' U B 116 4.138 -8.388 -23.170 1.00 0.00 H new ATOM 0 H5'' U B 116 5.398 -8.633 -21.976 1.00 0.00 H new ATOM 0 H4' U B 116 5.889 -6.489 -22.444 1.00 0.00 H new ATOM 0 H3' U B 116 4.660 -6.448 -20.003 1.00 0.00 H new ATOM 0 H2' U B 116 2.372 -6.138 -20.737 1.00 0.00 H new ATOM 0 HO2' U B 116 3.112 -4.291 -19.486 1.00 0.00 H new ATOM 0 H1' U B 116 3.202 -4.107 -22.808 1.00 0.00 H new ATOM 0 H3 U B 116 -0.767 -3.869 -24.652 1.00 0.00 H new ATOM 0 H5 U B 116 -0.383 -7.993 -23.894 1.00 0.00 H new ATOM 0 H6 U B 116 1.742 -7.553 -22.832 1.00 0.00 H new ATOM 1841 P U B 117 5.778 -4.118 -19.367 1.00 0.00 P ATOM 1842 OP1 U B 117 7.034 -4.713 -18.858 1.00 0.00 O ATOM 1843 OP2 U B 117 4.565 -4.151 -18.519 1.00 0.00 O ATOM 1844 O5' U B 117 6.075 -2.588 -19.768 1.00 0.00 O ATOM 1845 C5' U B 117 5.093 -1.807 -20.411 1.00 0.00 C ATOM 1846 C4' U B 117 5.625 -0.382 -20.592 1.00 0.00 C ATOM 1847 O4' U B 117 5.034 0.216 -21.732 1.00 0.00 O ATOM 1848 C3' U B 117 5.227 0.489 -19.409 1.00 0.00 C ATOM 1849 O3' U B 117 6.061 1.633 -19.366 1.00 0.00 O ATOM 1850 C2' U B 117 3.807 0.865 -19.816 1.00 0.00 C ATOM 1851 O2' U B 117 3.347 2.031 -19.166 1.00 0.00 O ATOM 1852 C1' U B 117 3.992 1.077 -21.315 1.00 0.00 C ATOM 1853 N1 U B 117 2.771 0.840 -22.123 1.00 0.00 N ATOM 1854 C2 U B 117 2.414 1.834 -23.029 1.00 0.00 C ATOM 1855 O2 U B 117 3.031 2.892 -23.137 1.00 0.00 O ATOM 1856 N3 U B 117 1.313 1.574 -23.827 1.00 0.00 N ATOM 1857 C4 U B 117 0.510 0.450 -23.759 1.00 0.00 C ATOM 1858 O4 U B 117 -0.462 0.331 -24.504 1.00 0.00 O ATOM 1859 C5 U B 117 0.928 -0.507 -22.763 1.00 0.00 C ATOM 1860 C6 U B 117 2.019 -0.297 -21.994 1.00 0.00 C ATOM 0 H5' U B 117 4.177 -1.794 -19.821 1.00 0.00 H new ATOM 0 H5'' U B 117 4.842 -2.241 -21.379 1.00 0.00 H new ATOM 0 H4' U B 117 6.709 -0.450 -20.688 1.00 0.00 H new ATOM 0 H3' U B 117 5.306 0.022 -18.427 1.00 0.00 H new ATOM 0 H2' U B 117 3.055 0.122 -19.552 1.00 0.00 H new ATOM 0 HO2' U B 117 2.378 2.111 -19.285 1.00 0.00 H new ATOM 0 H1' U B 117 4.233 2.127 -21.481 1.00 0.00 H new ATOM 0 H3 U B 117 1.072 2.275 -24.528 1.00 0.00 H new ATOM 0 H5 U B 117 0.355 -1.413 -22.629 1.00 0.00 H new ATOM 0 H6 U B 117 2.303 -1.040 -21.264 1.00 0.00 H new ATOM 1871 P A B 118 6.384 2.371 -17.973 1.00 0.00 P ATOM 1872 OP1 A B 118 5.513 1.808 -16.919 1.00 0.00 O ATOM 1873 OP2 A B 118 6.399 3.830 -18.215 1.00 0.00 O ATOM 1874 O5' A B 118 7.896 1.885 -17.704 1.00 0.00 O ATOM 1875 C5' A B 118 8.986 2.748 -17.960 1.00 0.00 C ATOM 1876 C4' A B 118 10.283 1.944 -18.009 1.00 0.00 C ATOM 1877 O4' A B 118 10.403 1.278 -19.254 1.00 0.00 O ATOM 1878 C3' A B 118 11.481 2.886 -17.910 1.00 0.00 C ATOM 1879 O3' A B 118 12.619 2.261 -17.350 1.00 0.00 O ATOM 1880 C2' A B 118 11.737 3.241 -19.372 1.00 0.00 C ATOM 1881 O2' A B 118 13.121 3.318 -19.664 1.00 0.00 O ATOM 1882 C1' A B 118 11.072 2.124 -20.177 1.00 0.00 C ATOM 1883 N9 A B 118 10.171 2.726 -21.179 1.00 0.00 N ATOM 1884 C8 A B 118 8.804 2.699 -21.291 1.00 0.00 C ATOM 1885 N7 A B 118 8.337 3.424 -22.274 1.00 0.00 N ATOM 1886 C5 A B 118 9.483 3.943 -22.870 1.00 0.00 C ATOM 1887 C6 A B 118 9.709 4.802 -23.964 1.00 0.00 C ATOM 1888 N6 A B 118 8.730 5.342 -24.691 1.00 0.00 N ATOM 1889 N1 A B 118 10.976 5.097 -24.285 1.00 0.00 N ATOM 1890 C2 A B 118 11.964 4.552 -23.591 1.00 0.00 C ATOM 1891 N3 A B 118 11.893 3.740 -22.552 1.00 0.00 N ATOM 1892 C4 A B 118 10.604 3.483 -22.236 1.00 0.00 C ATOM 0 H5' A B 118 9.049 3.510 -17.183 1.00 0.00 H new ATOM 0 H5'' A B 118 8.835 3.269 -18.905 1.00 0.00 H new ATOM 0 H4' A B 118 10.262 1.233 -17.183 1.00 0.00 H new ATOM 0 H3' A B 118 11.286 3.740 -17.262 1.00 0.00 H new ATOM 0 H2' A B 118 11.332 4.223 -19.616 1.00 0.00 H new ATOM 0 HO2' A B 118 13.607 2.664 -19.119 1.00 0.00 H new ATOM 0 H1' A B 118 11.791 1.521 -20.731 1.00 0.00 H new ATOM 0 H8 A B 118 8.170 2.130 -20.627 1.00 0.00 H new ATOM 0 H61 A B 118 8.955 5.957 -25.473 1.00 0.00 H new ATOM 0 H62 A B 118 7.756 5.139 -24.465 1.00 0.00 H new ATOM 0 H2 A B 118 12.961 4.806 -23.919 1.00 0.00 H new ATOM 1904 P A B 119 12.607 1.679 -15.853 1.00 0.00 P ATOM 1905 OP1 A B 119 11.473 2.284 -15.120 1.00 0.00 O ATOM 1906 OP2 A B 119 13.976 1.789 -15.298 1.00 0.00 O ATOM 1907 O5' A B 119 12.285 0.120 -16.093 1.00 0.00 O ATOM 1908 C5' A B 119 13.258 -0.747 -16.636 1.00 0.00 C ATOM 1909 C4' A B 119 12.812 -1.281 -17.997 1.00 0.00 C ATOM 1910 O4' A B 119 12.891 -0.293 -19.019 1.00 0.00 O ATOM 1911 C3' A B 119 13.716 -2.439 -18.405 1.00 0.00 C ATOM 1912 O3' A B 119 12.930 -3.476 -18.954 1.00 0.00 O ATOM 1913 C2' A B 119 14.670 -1.842 -19.435 1.00 0.00 C ATOM 1914 O2' A B 119 14.840 -2.693 -20.556 1.00 0.00 O ATOM 1915 C1' A B 119 14.024 -0.519 -19.841 1.00 0.00 C ATOM 1916 N9 A B 119 15.021 0.567 -19.723 1.00 0.00 N ATOM 1917 C8 A B 119 15.282 1.396 -18.662 1.00 0.00 C ATOM 1918 N7 A B 119 16.239 2.256 -18.876 1.00 0.00 N ATOM 1919 C5 A B 119 16.643 1.975 -20.182 1.00 0.00 C ATOM 1920 C6 A B 119 17.618 2.524 -21.036 1.00 0.00 C ATOM 1921 N6 A B 119 18.410 3.539 -20.686 1.00 0.00 N ATOM 1922 N1 A B 119 17.761 2.004 -22.264 1.00 0.00 N ATOM 1923 C2 A B 119 16.981 0.994 -22.627 1.00 0.00 C ATOM 1924 N3 A B 119 16.023 0.395 -21.937 1.00 0.00 N ATOM 1925 C4 A B 119 15.907 0.943 -20.703 1.00 0.00 C ATOM 0 H5' A B 119 13.432 -1.579 -15.953 1.00 0.00 H new ATOM 0 H5'' A B 119 14.205 -0.218 -16.741 1.00 0.00 H new ATOM 0 H4' A B 119 11.773 -1.595 -17.892 1.00 0.00 H new ATOM 0 H3' A B 119 14.265 -2.875 -17.571 1.00 0.00 H new ATOM 0 H2' A B 119 15.670 -1.707 -19.024 1.00 0.00 H new ATOM 0 HO2' A B 119 15.089 -2.158 -21.338 1.00 0.00 H new ATOM 0 HO3' A B 119 13.448 -4.307 -18.967 1.00 0.00 H new ATOM 0 H1' A B 119 13.690 -0.550 -20.878 1.00 0.00 H new ATOM 0 H8 A B 119 14.741 1.341 -17.729 1.00 0.00 H new ATOM 0 H61 A B 119 19.100 3.898 -21.345 1.00 0.00 H new ATOM 0 H62 A B 119 18.325 3.956 -19.759 1.00 0.00 H new ATOM 0 H2 A B 119 17.151 0.608 -23.621 1.00 0.00 H new TER 1937 A B 119