USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 910 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: 1 51 MET CE :methyl 179:sc=-0.00317 (180deg=-0.000281) USER MOD Set 1.2: 1 53 MET CE :methyl 146:sc= -0.195 (180deg=-1.21) USER MOD Set 2.1: 1 29 SER OG : rot -160:sc= -1.37! USER MOD Set 2.2: 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 6 SER OG : rot 180:sc= 0 USER MOD Single : 1 -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 11 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 13 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.5) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 18 SER OG : rot 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl -161:sc= -1.65 (180deg=-1.95) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : 1 32 THR OG1 : rot -61:sc= -2.92! USER MOD Single : 1 33 SER OG : rot 180:sc= 0 USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot 180:sc= 0 USER MOD Single : 1 42 SER OG : rot -77:sc= 0.0942 USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -156:sc= -2.24 USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.00211 USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc= 0 USER MOD Single : 1 68 THR OG1 : rot 80:sc= 0.089 USER MOD Single : 1 74 SER OG : rot -157:sc= 0.861 USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.85) USER MOD Single : 1 88 SER OG : rot 180:sc= 0 USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 13.110 -22.611 -12.161 1.00 0.00 N ATOM 2 CA MET 1 -3 14.346 -23.438 -12.084 1.00 0.00 C ATOM 3 C MET 1 -3 15.088 -23.184 -10.776 1.00 0.00 C ATOM 4 O MET 1 -3 15.241 -22.034 -10.355 1.00 0.00 O ATOM 5 CB MET 1 -3 15.268 -23.130 -13.269 1.00 0.00 C ATOM 6 CG MET 1 -3 14.790 -23.715 -14.591 1.00 0.00 C ATOM 7 SD MET 1 -3 14.764 -25.519 -14.586 1.00 0.00 S ATOM 8 CE MET 1 -3 14.185 -25.855 -16.248 1.00 0.00 C ATOM 0 H1 MET 1 -3 12.621 -22.800 -13.059 1.00 0.00 H new ATOM 0 H2 MET 1 -3 12.482 -22.851 -11.368 1.00 0.00 H new ATOM 0 H3 MET 1 -3 13.363 -21.603 -12.110 1.00 0.00 H new ATOM 0 HA MET 1 -3 14.053 -24.487 -12.121 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 15.360 -22.049 -13.374 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 16.264 -23.515 -13.051 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 13.789 -23.342 -14.808 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 15.440 -23.367 -15.394 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 14.116 -26.932 -16.399 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 13.202 -25.406 -16.389 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 14.884 -25.432 -16.969 1.00 0.00 H new ATOM 20 N HIS 1 -2 15.546 -24.270 -10.144 1.00 0.00 N ATOM 21 CA HIS 1 -2 16.280 -24.185 -8.880 1.00 0.00 C ATOM 22 C HIS 1 -2 17.700 -24.716 -9.034 1.00 0.00 C ATOM 23 O HIS 1 -2 17.948 -25.628 -9.831 1.00 0.00 O ATOM 24 CB HIS 1 -2 15.550 -24.965 -7.783 1.00 0.00 C ATOM 25 CG HIS 1 -2 14.296 -24.302 -7.301 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 14.301 -23.193 -6.481 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 12.994 -24.596 -7.527 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 13.056 -22.834 -6.223 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 12.245 -23.668 -6.846 1.00 0.00 N ATOM 0 H HIS 1 -2 15.420 -25.221 -10.490 1.00 0.00 H new ATOM 0 HA HIS 1 -2 16.333 -23.134 -8.595 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 15.303 -25.958 -8.159 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 16.225 -25.103 -6.938 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 12.615 -25.408 -8.130 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 12.754 -22.000 -5.607 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 11.226 -23.630 -6.825 1.00 0.00 H new ATOM 38 N HIS 1 -1 18.622 -24.136 -8.263 1.00 0.00 N ATOM 39 CA HIS 1 -1 20.030 -24.534 -8.289 1.00 0.00 C ATOM 40 C HIS 1 -1 20.469 -25.098 -6.937 1.00 0.00 C ATOM 41 O HIS 1 -1 21.172 -26.111 -6.883 1.00 0.00 O ATOM 42 CB HIS 1 -1 20.913 -23.345 -8.678 1.00 0.00 C ATOM 43 CG HIS 1 -1 20.867 -23.017 -10.138 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 19.809 -22.359 -10.730 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 21.758 -23.262 -11.128 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 20.051 -22.213 -12.021 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 21.228 -22.752 -12.287 1.00 0.00 N ATOM 0 H HIS 1 -1 18.415 -23.382 -7.607 1.00 0.00 H new ATOM 0 HA HIS 1 -1 20.144 -25.319 -9.037 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 20.602 -22.470 -8.108 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 21.943 -23.560 -8.395 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 22.708 -23.765 -11.025 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 19.398 -21.735 -12.736 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 21.671 -22.784 -13.205 1.00 0.00 H new ATOM 56 N HIS 1 0 20.047 -24.435 -5.852 1.00 0.00 N ATOM 57 CA HIS 1 0 20.387 -24.861 -4.494 1.00 0.00 C ATOM 58 C HIS 1 0 19.199 -25.540 -3.822 1.00 0.00 C ATOM 59 O HIS 1 0 18.046 -25.165 -4.055 1.00 0.00 O ATOM 60 CB HIS 1 0 20.850 -23.667 -3.655 1.00 0.00 C ATOM 61 CG HIS 1 0 22.235 -23.204 -3.982 1.00 0.00 C ATOM 62 ND1 HIS 1 0 22.495 -22.099 -4.764 1.00 0.00 N ATOM 63 CD2 HIS 1 0 23.444 -23.702 -3.624 1.00 0.00 C ATOM 64 CE1 HIS 1 0 23.802 -21.937 -4.875 1.00 0.00 C ATOM 65 NE2 HIS 1 0 24.399 -22.896 -4.192 1.00 0.00 N ATOM 0 H HIS 1 0 19.467 -23.597 -5.893 1.00 0.00 H new ATOM 0 HA HIS 1 0 21.203 -25.581 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 20.156 -22.840 -3.802 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 20.806 -23.937 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 23.622 -24.570 -3.007 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 24.297 -21.154 -5.430 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 25.408 -23.018 -4.101 1.00 0.00 H new ATOM 74 N HIS 1 1 19.496 -26.543 -2.990 1.00 0.00 N ATOM 75 CA HIS 1 1 18.465 -27.294 -2.269 1.00 0.00 C ATOM 76 C HIS 1 1 18.409 -26.893 -0.793 1.00 0.00 C ATOM 77 O HIS 1 1 17.321 -26.772 -0.222 1.00 0.00 O ATOM 78 CB HIS 1 1 18.716 -28.799 -2.396 1.00 0.00 C ATOM 79 CG HIS 1 1 18.402 -29.350 -3.753 1.00 0.00 C ATOM 80 ND1 HIS 1 1 19.289 -29.306 -4.808 1.00 0.00 N ATOM 81 CD2 HIS 1 1 17.289 -29.961 -4.224 1.00 0.00 C ATOM 82 CE1 HIS 1 1 18.735 -29.864 -5.870 1.00 0.00 C ATOM 83 NE2 HIS 1 1 17.522 -30.269 -5.541 1.00 0.00 N ATOM 0 H HIS 1 1 20.448 -26.855 -2.799 1.00 0.00 H new ATOM 0 HA HIS 1 1 17.502 -27.053 -2.720 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 19.761 -29.005 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 18.114 -29.323 -1.653 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 16.387 -30.167 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 19.196 -29.971 -6.841 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 16.864 -30.736 -6.165 1.00 0.00 H new ATOM 92 N HIS 1 2 19.585 -26.688 -0.185 1.00 0.00 N ATOM 93 CA HIS 1 2 19.679 -26.305 1.225 1.00 0.00 C ATOM 94 C HIS 1 2 19.856 -24.797 1.383 1.00 0.00 C ATOM 95 O HIS 1 2 20.551 -24.158 0.588 1.00 0.00 O ATOM 96 CB HIS 1 2 20.840 -27.036 1.901 1.00 0.00 C ATOM 97 CG HIS 1 2 20.502 -28.430 2.326 1.00 0.00 C ATOM 98 ND1 HIS 1 2 19.583 -28.712 3.313 1.00 0.00 N ATOM 99 CD2 HIS 1 2 20.966 -29.629 1.894 1.00 0.00 C ATOM 100 CE1 HIS 1 2 19.496 -30.020 3.472 1.00 0.00 C ATOM 101 NE2 HIS 1 2 20.324 -30.599 2.624 1.00 0.00 N ATOM 0 H HIS 1 2 20.487 -26.782 -0.652 1.00 0.00 H new ATOM 0 HA HIS 1 2 18.744 -26.591 1.707 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 21.687 -27.069 1.215 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 21.159 -26.466 2.774 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 21.702 -29.791 1.121 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 18.856 -30.529 4.177 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 20.465 -31.605 2.526 1.00 0.00 H new ATOM 110 N HIS 1 3 19.215 -24.245 2.419 1.00 0.00 N ATOM 111 CA HIS 1 3 19.288 -22.812 2.716 1.00 0.00 C ATOM 112 C HIS 1 3 19.638 -22.586 4.186 1.00 0.00 C ATOM 113 O HIS 1 3 19.107 -23.269 5.066 1.00 0.00 O ATOM 114 CB HIS 1 3 17.960 -22.125 2.384 1.00 0.00 C ATOM 115 CG HIS 1 3 17.676 -22.033 0.915 1.00 0.00 C ATOM 116 ND1 HIS 1 3 18.271 -21.102 0.090 1.00 0.00 N ATOM 117 CD2 HIS 1 3 16.854 -22.764 0.124 1.00 0.00 C ATOM 118 CE1 HIS 1 3 17.828 -21.263 -1.144 1.00 0.00 C ATOM 119 NE2 HIS 1 3 16.968 -22.265 -1.150 1.00 0.00 N ATOM 0 H HIS 1 3 18.636 -24.775 3.070 1.00 0.00 H new ATOM 0 HA HIS 1 3 20.073 -22.377 2.097 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 17.149 -22.670 2.868 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 17.966 -21.120 2.807 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 16.227 -23.585 0.437 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 18.120 -20.675 -2.002 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 16.469 -22.612 -1.969 1.00 0.00 H new ATOM 128 N SER 1 4 20.525 -21.616 4.438 1.00 0.00 N ATOM 129 CA SER 1 4 20.969 -21.294 5.798 1.00 0.00 C ATOM 130 C SER 1 4 20.145 -20.161 6.414 1.00 0.00 C ATOM 131 O SER 1 4 19.970 -19.103 5.801 1.00 0.00 O ATOM 132 CB SER 1 4 22.449 -20.906 5.788 1.00 0.00 C ATOM 133 OG SER 1 4 23.253 -21.968 5.304 1.00 0.00 O ATOM 0 H SER 1 4 20.951 -21.038 3.713 1.00 0.00 H new ATOM 0 HA SER 1 4 20.824 -22.185 6.409 1.00 0.00 H new ATOM 0 HB2 SER 1 4 22.592 -20.024 5.164 1.00 0.00 H new ATOM 0 HB3 SER 1 4 22.764 -20.638 6.796 1.00 0.00 H new ATOM 0 HG SER 1 4 24.194 -21.693 5.306 1.00 0.00 H new ATOM 139 N THR 1 5 19.637 -20.406 7.627 1.00 0.00 N ATOM 140 CA THR 1 5 18.837 -19.418 8.358 1.00 0.00 C ATOM 141 C THR 1 5 19.664 -18.767 9.476 1.00 0.00 C ATOM 142 O THR 1 5 20.416 -19.449 10.177 1.00 0.00 O ATOM 143 CB THR 1 5 17.521 -20.038 8.926 1.00 0.00 C ATOM 144 OG1 THR 1 5 16.794 -19.060 9.685 1.00 0.00 O ATOM 145 CG2 THR 1 5 17.775 -21.270 9.801 1.00 0.00 C ATOM 0 H THR 1 5 19.767 -21.286 8.126 1.00 0.00 H new ATOM 0 HA THR 1 5 18.548 -18.644 7.648 1.00 0.00 H new ATOM 0 HB THR 1 5 16.934 -20.359 8.065 1.00 0.00 H new ATOM 0 HG1 THR 1 5 15.971 -19.462 10.033 1.00 0.00 H new ATOM 0 HG21 THR 1 5 16.825 -21.658 10.168 1.00 0.00 H new ATOM 0 HG22 THR 1 5 18.277 -22.037 9.212 1.00 0.00 H new ATOM 0 HG23 THR 1 5 18.404 -20.992 10.647 1.00 0.00 H new ATOM 153 N SER 1 6 19.510 -17.446 9.628 1.00 0.00 N ATOM 154 CA SER 1 6 20.238 -16.682 10.645 1.00 0.00 C ATOM 155 C SER 1 6 19.432 -16.552 11.939 1.00 0.00 C ATOM 156 O SER 1 6 18.202 -16.469 11.907 1.00 0.00 O ATOM 157 CB SER 1 6 20.587 -15.289 10.113 1.00 0.00 C ATOM 158 OG SER 1 6 21.376 -15.373 8.938 1.00 0.00 O ATOM 0 H SER 1 6 18.883 -16.882 9.054 1.00 0.00 H new ATOM 0 HA SER 1 6 21.155 -17.227 10.870 1.00 0.00 H new ATOM 0 HB2 SER 1 6 19.671 -14.738 9.901 1.00 0.00 H new ATOM 0 HB3 SER 1 6 21.126 -14.729 10.877 1.00 0.00 H new ATOM 0 HG SER 1 6 21.583 -14.470 8.618 1.00 0.00 H new ATOM 164 N VAL 1 7 20.148 -16.533 13.072 1.00 0.00 N ATOM 165 CA VAL 1 7 19.527 -16.407 14.401 1.00 0.00 C ATOM 166 C VAL 1 7 19.591 -14.946 14.873 1.00 0.00 C ATOM 167 O VAL 1 7 20.670 -14.347 14.909 1.00 0.00 O ATOM 168 CB VAL 1 7 20.211 -17.329 15.463 1.00 0.00 C ATOM 169 CG1 VAL 1 7 19.395 -17.399 16.755 1.00 0.00 C ATOM 170 CG2 VAL 1 7 20.435 -18.738 14.918 1.00 0.00 C ATOM 0 H VAL 1 7 21.165 -16.604 13.095 1.00 0.00 H new ATOM 0 HA VAL 1 7 18.489 -16.725 14.305 1.00 0.00 H new ATOM 0 HB VAL 1 7 21.180 -16.884 15.688 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 19.900 -18.048 17.470 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 19.298 -16.399 17.179 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 18.405 -17.799 16.539 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 20.912 -19.352 15.682 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 19.476 -19.179 14.644 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 21.077 -18.690 14.038 1.00 0.00 H new ATOM 180 N ASP 1 8 18.426 -14.397 15.239 1.00 0.00 N ATOM 181 CA ASP 1 8 18.319 -13.009 15.710 1.00 0.00 C ATOM 182 C ASP 1 8 18.548 -12.904 17.220 1.00 0.00 C ATOM 183 O ASP 1 8 18.264 -13.845 17.966 1.00 0.00 O ATOM 184 CB ASP 1 8 16.942 -12.436 15.357 1.00 0.00 C ATOM 185 CG ASP 1 8 16.784 -12.171 13.872 1.00 0.00 C ATOM 186 OD1 ASP 1 8 16.369 -13.098 13.145 1.00 0.00 O ATOM 187 OD2 ASP 1 8 17.076 -11.037 13.436 1.00 0.00 O ATOM 0 H ASP 1 8 17.537 -14.897 15.218 1.00 0.00 H new ATOM 0 HA ASP 1 8 19.096 -12.432 15.209 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 16.169 -13.132 15.682 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 16.787 -11.507 15.907 1.00 0.00 H new ATOM 192 N LEU 1 9 19.074 -11.749 17.650 1.00 0.00 N ATOM 193 CA LEU 1 9 19.346 -11.478 19.067 1.00 0.00 C ATOM 194 C LEU 1 9 18.486 -10.319 19.565 1.00 0.00 C ATOM 195 O LEU 1 9 17.990 -10.335 20.695 1.00 0.00 O ATOM 196 CB LEU 1 9 20.848 -11.151 19.269 1.00 0.00 C ATOM 197 CG LEU 1 9 21.498 -11.465 20.651 1.00 0.00 C ATOM 198 CD1 LEU 1 9 20.852 -10.684 21.795 1.00 0.00 C ATOM 199 CD2 LEU 1 9 21.494 -12.965 20.955 1.00 0.00 C ATOM 0 H LEU 1 9 19.322 -10.980 17.028 1.00 0.00 H new ATOM 0 HA LEU 1 9 19.096 -12.369 19.644 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 21.410 -11.692 18.508 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 20.985 -10.088 19.072 1.00 0.00 H new ATOM 0 HG LEU 1 9 22.534 -11.136 20.576 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 21.343 -10.941 22.734 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 20.958 -9.615 21.611 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 19.794 -10.939 21.857 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 21.956 -13.141 21.927 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 20.467 -13.331 20.970 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 22.056 -13.494 20.185 1.00 0.00 H new ATOM 211 N GLY 1 10 18.326 -9.328 18.697 1.00 0.00 N ATOM 212 CA GLY 1 10 17.544 -8.142 19.007 1.00 0.00 C ATOM 213 C GLY 1 10 18.417 -6.946 19.336 1.00 0.00 C ATOM 214 O GLY 1 10 18.478 -6.514 20.490 1.00 0.00 O ATOM 0 H GLY 1 10 18.734 -9.325 17.762 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 16.904 -7.899 18.158 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 16.888 -8.353 19.851 1.00 0.00 H new ATOM 218 N THR 1 11 19.093 -6.421 18.311 1.00 0.00 N ATOM 219 CA THR 1 11 19.970 -5.256 18.457 1.00 0.00 C ATOM 220 C THR 1 11 19.520 -4.125 17.533 1.00 0.00 C ATOM 221 O THR 1 11 19.823 -2.954 17.773 1.00 0.00 O ATOM 222 CB THR 1 11 21.443 -5.612 18.146 1.00 0.00 C ATOM 223 OG1 THR 1 11 21.566 -6.098 16.802 1.00 0.00 O ATOM 224 CG2 THR 1 11 21.965 -6.668 19.108 1.00 0.00 C ATOM 0 H THR 1 11 19.049 -6.789 17.361 1.00 0.00 H new ATOM 0 HA THR 1 11 19.902 -4.929 19.495 1.00 0.00 H new ATOM 0 HB THR 1 11 22.035 -4.704 18.263 1.00 0.00 H new ATOM 0 HG1 THR 1 11 22.503 -6.318 16.618 1.00 0.00 H new ATOM 0 HG21 THR 1 11 23.002 -6.899 18.866 1.00 0.00 H new ATOM 0 HG22 THR 1 11 21.905 -6.291 20.129 1.00 0.00 H new ATOM 0 HG23 THR 1 11 21.362 -7.571 19.019 1.00 0.00 H new ATOM 232 N GLU 1 12 18.795 -4.506 16.474 1.00 0.00 N ATOM 233 CA GLU 1 12 18.279 -3.569 15.480 1.00 0.00 C ATOM 234 C GLU 1 12 16.746 -3.581 15.477 1.00 0.00 C ATOM 235 O GLU 1 12 16.101 -2.532 15.570 1.00 0.00 O ATOM 236 CB GLU 1 12 18.853 -3.940 14.098 1.00 0.00 C ATOM 237 CG GLU 1 12 18.414 -3.028 12.965 1.00 0.00 C ATOM 238 CD GLU 1 12 19.111 -3.339 11.655 1.00 0.00 C ATOM 239 OE1 GLU 1 12 18.571 -4.150 10.873 1.00 0.00 O ATOM 240 OE2 GLU 1 12 20.198 -2.773 11.412 1.00 0.00 O ATOM 0 H GLU 1 12 18.551 -5.478 16.286 1.00 0.00 H new ATOM 0 HA GLU 1 12 18.592 -2.555 15.728 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 19.941 -3.927 14.156 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 18.558 -4.962 13.859 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 17.336 -3.119 12.828 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 18.614 -1.992 13.240 1.00 0.00 H new ATOM 247 N ASN 1 13 16.196 -4.780 15.345 1.00 0.00 N ATOM 248 CA ASN 1 13 14.755 -5.019 15.321 1.00 0.00 C ATOM 249 C ASN 1 13 14.162 -5.024 16.745 1.00 0.00 C ATOM 250 O ASN 1 13 13.462 -5.963 17.147 1.00 0.00 O ATOM 251 CB ASN 1 13 14.490 -6.347 14.598 1.00 0.00 C ATOM 252 CG ASN 1 13 13.142 -6.439 13.967 1.00 0.00 C ATOM 253 OD1 ASN 1 13 12.127 -5.999 14.511 1.00 0.00 O ATOM 254 ND2 ASN 1 13 13.142 -7.023 12.794 1.00 0.00 N ATOM 0 H ASN 1 13 16.748 -5.632 15.250 1.00 0.00 H new ATOM 0 HA ASN 1 13 14.262 -4.210 14.783 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 15.250 -6.487 13.829 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 14.602 -7.165 15.310 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 12.268 -7.134 12.279 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 14.016 -7.367 12.396 1.00 0.00 H new ATOM 261 N LEU 1 14 14.465 -3.964 17.504 1.00 0.00 N ATOM 262 CA LEU 1 14 13.971 -3.813 18.887 1.00 0.00 C ATOM 263 C LEU 1 14 12.533 -3.293 18.917 1.00 0.00 C ATOM 264 O LEU 1 14 11.756 -3.641 19.809 1.00 0.00 O ATOM 265 CB LEU 1 14 14.864 -2.865 19.700 1.00 0.00 C ATOM 266 CG LEU 1 14 16.376 -3.074 19.552 1.00 0.00 C ATOM 267 CD1 LEU 1 14 16.945 -2.104 18.529 1.00 0.00 C ATOM 268 CD2 LEU 1 14 17.070 -2.909 20.894 1.00 0.00 C ATOM 0 H LEU 1 14 15.052 -3.193 17.186 1.00 0.00 H new ATOM 0 HA LEU 1 14 13.999 -4.805 19.337 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 14.629 -1.840 19.412 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 14.604 -2.968 20.754 1.00 0.00 H new ATOM 0 HG LEU 1 14 16.554 -4.090 19.199 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 18.019 -2.264 18.434 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 16.467 -2.271 17.564 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 16.758 -1.081 18.854 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 18.142 -3.061 20.770 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 16.887 -1.905 21.277 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 16.679 -3.643 21.599 1.00 0.00 H new ATOM 280 N TYR 1 15 12.192 -2.492 17.909 1.00 0.00 N ATOM 281 CA TYR 1 15 10.857 -1.901 17.774 1.00 0.00 C ATOM 282 C TYR 1 15 9.897 -2.911 17.137 1.00 0.00 C ATOM 283 O TYR 1 15 10.123 -3.372 16.014 1.00 0.00 O ATOM 284 CB TYR 1 15 10.914 -0.581 16.969 1.00 0.00 C ATOM 285 CG TYR 1 15 11.557 -0.672 15.591 1.00 0.00 C ATOM 286 CD1 TYR 1 15 12.937 -0.752 15.447 1.00 0.00 C ATOM 287 CD2 TYR 1 15 10.778 -0.666 14.441 1.00 0.00 C ATOM 288 CE1 TYR 1 15 13.522 -0.825 14.199 1.00 0.00 C ATOM 289 CE2 TYR 1 15 11.357 -0.741 13.187 1.00 0.00 C ATOM 290 CZ TYR 1 15 12.728 -0.820 13.073 1.00 0.00 C ATOM 291 OH TYR 1 15 13.310 -0.892 11.828 1.00 0.00 O ATOM 0 H TYR 1 15 12.834 -2.232 17.160 1.00 0.00 H new ATOM 0 HA TYR 1 15 10.480 -1.655 18.767 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 9.898 -0.205 16.851 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 11.460 0.157 17.556 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 13.563 -0.757 16.327 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 9.703 -0.602 14.527 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 14.596 -0.886 14.106 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 10.738 -0.738 12.302 1.00 0.00 H new ATOM 0 HH TYR 1 15 12.613 -0.879 11.140 1.00 0.00 H new ATOM 301 N PHE 1 16 8.833 -3.238 17.871 1.00 0.00 N ATOM 302 CA PHE 1 16 7.845 -4.220 17.443 1.00 0.00 C ATOM 303 C PHE 1 16 6.768 -3.627 16.521 1.00 0.00 C ATOM 304 O PHE 1 16 6.064 -4.374 15.836 1.00 0.00 O ATOM 305 CB PHE 1 16 7.213 -4.823 18.693 1.00 0.00 C ATOM 306 CG PHE 1 16 6.836 -6.273 18.561 1.00 0.00 C ATOM 307 CD1 PHE 1 16 7.751 -7.269 18.870 1.00 0.00 C ATOM 308 CD2 PHE 1 16 5.571 -6.640 18.134 1.00 0.00 C ATOM 309 CE1 PHE 1 16 7.411 -8.602 18.753 1.00 0.00 C ATOM 310 CE2 PHE 1 16 5.225 -7.973 18.014 1.00 0.00 C ATOM 311 CZ PHE 1 16 6.147 -8.956 18.324 1.00 0.00 C ATOM 0 H PHE 1 16 8.634 -2.826 18.783 1.00 0.00 H new ATOM 0 HA PHE 1 16 8.348 -4.985 16.852 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 7.909 -4.715 19.525 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 6.321 -4.250 18.947 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 8.741 -6.998 19.206 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 4.847 -5.876 17.892 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 8.133 -9.367 18.997 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 4.236 -8.246 17.678 1.00 0.00 H new ATOM 0 HZ PHE 1 16 5.879 -9.998 18.231 1.00 0.00 H new ATOM 321 N GLN 1 17 6.664 -2.290 16.493 1.00 0.00 N ATOM 322 CA GLN 1 17 5.683 -1.595 15.645 1.00 0.00 C ATOM 323 C GLN 1 17 6.309 -1.208 14.299 1.00 0.00 C ATOM 324 O GLN 1 17 7.156 -0.310 14.231 1.00 0.00 O ATOM 325 CB GLN 1 17 5.139 -0.346 16.361 1.00 0.00 C ATOM 326 CG GLN 1 17 4.249 -0.652 17.560 1.00 0.00 C ATOM 327 CD GLN 1 17 2.817 -0.977 17.168 1.00 0.00 C ATOM 328 OE1 GLN 1 17 1.970 -0.086 17.075 1.00 0.00 O ATOM 329 NE2 GLN 1 17 2.540 -2.254 16.936 1.00 0.00 N ATOM 0 H GLN 1 17 7.249 -1.667 17.049 1.00 0.00 H new ATOM 0 HA GLN 1 17 4.853 -2.276 15.456 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 5.979 0.264 16.693 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 4.574 0.252 15.646 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 4.669 -1.493 18.112 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 4.250 0.204 18.234 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 3.272 -2.959 17.025 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 1.595 -2.531 16.669 1.00 0.00 H new ATOM 338 N SER 1 18 5.893 -1.907 13.237 1.00 0.00 N ATOM 339 CA SER 1 18 6.406 -1.657 11.890 1.00 0.00 C ATOM 340 C SER 1 18 5.284 -1.258 10.932 1.00 0.00 C ATOM 341 O SER 1 18 4.202 -1.853 10.953 1.00 0.00 O ATOM 342 CB SER 1 18 7.126 -2.901 11.361 1.00 0.00 C ATOM 343 OG SER 1 18 7.835 -2.616 10.165 1.00 0.00 O ATOM 0 H SER 1 18 5.199 -2.653 13.288 1.00 0.00 H new ATOM 0 HA SER 1 18 7.112 -0.828 11.949 1.00 0.00 H new ATOM 0 HB2 SER 1 18 7.818 -3.273 12.117 1.00 0.00 H new ATOM 0 HB3 SER 1 18 6.400 -3.693 11.176 1.00 0.00 H new ATOM 0 HG SER 1 18 8.286 -3.427 9.851 1.00 0.00 H new ATOM 349 N ASN 1 19 5.557 -0.248 10.100 1.00 0.00 N ATOM 350 CA ASN 1 19 4.591 0.240 9.111 1.00 0.00 C ATOM 351 C ASN 1 19 5.123 0.032 7.689 1.00 0.00 C ATOM 352 O ASN 1 19 4.394 -0.435 6.809 1.00 0.00 O ATOM 353 CB ASN 1 19 4.281 1.726 9.346 1.00 0.00 C ATOM 354 CG ASN 1 19 3.450 1.986 10.563 1.00 0.00 C ATOM 355 OD1 ASN 1 19 2.576 1.202 10.942 1.00 0.00 O ATOM 356 ND2 ASN 1 19 3.731 3.111 11.181 1.00 0.00 N ATOM 0 H ASN 1 19 6.447 0.251 10.093 1.00 0.00 H new ATOM 0 HA ASN 1 19 3.670 -0.331 9.226 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 5.219 2.273 9.435 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 3.763 2.122 8.473 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 3.215 3.374 12.020 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 4.465 3.721 10.821 1.00 0.00 H new ATOM 363 N ALA 1 20 6.404 0.375 7.484 1.00 0.00 N ATOM 364 CA ALA 1 20 7.068 0.235 6.184 1.00 0.00 C ATOM 365 C ALA 1 20 7.703 -1.147 6.039 1.00 0.00 C ATOM 366 O ALA 1 20 8.172 -1.725 7.026 1.00 0.00 O ATOM 367 CB ALA 1 20 8.120 1.323 6.006 1.00 0.00 C ATOM 0 H ALA 1 20 7.005 0.756 8.214 1.00 0.00 H new ATOM 0 HA ALA 1 20 6.314 0.345 5.405 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 8.604 1.206 5.036 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 7.643 2.302 6.058 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 8.866 1.241 6.796 1.00 0.00 H new ATOM 373 N GLY 1 21 7.710 -1.664 4.808 1.00 0.00 N ATOM 374 CA GLY 1 21 8.281 -2.977 4.536 1.00 0.00 C ATOM 375 C GLY 1 21 7.331 -3.894 3.784 1.00 0.00 C ATOM 376 O GLY 1 21 7.697 -5.023 3.444 1.00 0.00 O ATOM 0 H GLY 1 21 7.327 -1.192 3.989 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 9.196 -2.856 3.956 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 8.561 -3.447 5.478 1.00 0.00 H new ATOM 380 N LYS 1 22 6.107 -3.407 3.529 1.00 0.00 N ATOM 381 CA LYS 1 22 5.089 -4.173 2.806 1.00 0.00 C ATOM 382 C LYS 1 22 5.225 -3.974 1.286 1.00 0.00 C ATOM 383 O LYS 1 22 6.044 -3.167 0.834 1.00 0.00 O ATOM 384 CB LYS 1 22 3.676 -3.815 3.317 1.00 0.00 C ATOM 385 CG LYS 1 22 3.266 -2.355 3.150 1.00 0.00 C ATOM 386 CD LYS 1 22 2.329 -1.917 4.267 1.00 0.00 C ATOM 387 CE LYS 1 22 1.899 -0.469 4.106 1.00 0.00 C ATOM 388 NZ LYS 1 22 1.071 -0.010 5.256 1.00 0.00 N ATOM 0 H LYS 1 22 5.800 -2.478 3.817 1.00 0.00 H new ATOM 0 HA LYS 1 22 5.247 -5.234 3.002 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 2.951 -4.439 2.795 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 3.615 -4.072 4.374 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 4.154 -1.723 3.147 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 2.776 -2.220 2.186 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 1.448 -2.559 4.276 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 2.826 -2.044 5.229 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 2.781 0.165 4.017 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 1.332 -0.358 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 0.796 0.983 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 0.217 -0.599 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 1.621 -0.092 6.135 1.00 0.00 H new ATOM 402 N MET 1 23 4.419 -4.711 0.513 1.00 0.00 N ATOM 403 CA MET 1 23 4.449 -4.653 -0.919 1.00 0.00 C ATOM 404 C MET 1 23 3.093 -4.257 -1.492 1.00 0.00 C ATOM 405 O MET 1 23 2.044 -4.492 -0.898 1.00 0.00 O ATOM 406 CB MET 1 23 4.909 -5.995 -1.475 1.00 0.00 C ATOM 407 CG MET 1 23 6.414 -6.082 -1.679 1.00 0.00 C ATOM 408 SD MET 1 23 6.915 -7.532 -2.629 1.00 0.00 S ATOM 409 CE MET 1 23 7.257 -6.795 -4.227 1.00 0.00 C ATOM 0 H MET 1 23 3.729 -5.364 0.885 1.00 0.00 H new ATOM 0 HA MET 1 23 5.158 -3.882 -1.220 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.596 -6.788 -0.796 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.410 -6.175 -2.427 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.758 -5.183 -2.190 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.906 -6.104 -0.707 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.247 -7.569 -4.994 1.00 0.00 H new ATOM 0 HE2 MET 1 23 6.495 -6.049 -4.454 1.00 0.00 H new ATOM 0 HE3 MET 1 23 8.237 -6.318 -4.206 1.00 0.00 H new ATOM 419 N PHE 1 24 3.184 -3.647 -2.655 1.00 0.00 N ATOM 420 CA PHE 1 24 2.072 -3.133 -3.445 1.00 0.00 C ATOM 421 C PHE 1 24 1.831 -4.102 -4.611 1.00 0.00 C ATOM 422 O PHE 1 24 2.628 -4.166 -5.555 1.00 0.00 O ATOM 423 CB PHE 1 24 2.455 -1.726 -3.976 1.00 0.00 C ATOM 424 CG PHE 1 24 1.332 -0.860 -4.527 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.483 0.520 -4.560 1.00 0.00 C ATOM 426 CD2 PHE 1 24 0.146 -1.403 -5.008 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.482 1.334 -5.053 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -0.852 -0.590 -5.503 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.686 0.778 -5.526 1.00 0.00 C ATOM 0 H PHE 1 24 4.085 -3.485 -3.105 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.163 -3.051 -2.849 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.937 -1.179 -3.166 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.200 -1.853 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.397 0.964 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 0.005 -2.474 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 0.615 2.406 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -1.767 -1.027 -5.874 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.469 1.412 -5.914 1.00 0.00 H new ATOM 439 N ILE 1 25 0.748 -4.865 -4.524 1.00 0.00 N ATOM 440 CA ILE 1 25 0.390 -5.846 -5.536 1.00 0.00 C ATOM 441 C ILE 1 25 -0.629 -5.264 -6.512 1.00 0.00 C ATOM 442 O ILE 1 25 -1.786 -5.025 -6.157 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.171 -7.117 -4.879 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.378 -7.302 -3.436 1.00 0.00 C ATOM 445 CG2 ILE 1 25 0.076 -8.354 -5.751 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.866 -7.640 -3.315 1.00 0.00 C ATOM 0 H ILE 1 25 0.091 -4.819 -3.745 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.291 -6.108 -6.090 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.251 -6.996 -4.795 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 0.189 -6.385 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.193 -8.094 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.333 -9.235 -5.257 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.411 -8.221 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 1.148 -8.486 -5.900 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 2.131 -7.745 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 2.070 -8.576 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.458 -6.841 -3.760 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.167 -5.043 -7.737 1.00 0.00 N ATOM 459 CA GLY 1 26 -0.993 -4.471 -8.776 1.00 0.00 C ATOM 460 C GLY 1 26 -1.542 -5.458 -9.779 1.00 0.00 C ATOM 461 O GLY 1 26 -1.054 -6.578 -9.897 1.00 0.00 O ATOM 0 H GLY 1 26 0.786 -5.256 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -1.829 -3.950 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.409 -3.721 -9.310 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.604 -5.021 -10.467 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.247 -5.815 -11.514 1.00 0.00 C ATOM 467 C GLY 1 27 -4.078 -6.990 -11.018 1.00 0.00 C ATOM 468 O GLY 1 27 -4.347 -7.907 -11.797 1.00 0.00 O ATOM 0 H GLY 1 27 -3.038 -4.111 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -3.889 -5.159 -12.102 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.476 -6.193 -12.186 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.510 -6.962 -9.742 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.313 -8.041 -9.156 1.00 0.00 C ATOM 474 C LEU 1 28 -6.613 -8.251 -9.954 1.00 0.00 C ATOM 475 O LEU 1 28 -6.979 -7.407 -10.780 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.666 -7.717 -7.688 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.492 -7.386 -6.752 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.006 -6.683 -5.507 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.730 -8.641 -6.352 1.00 0.00 C ATOM 0 H LEU 1 28 -4.312 -6.196 -9.098 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.719 -8.954 -9.193 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.354 -6.872 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.204 -8.569 -7.271 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.808 -6.730 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.169 -6.451 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.510 -5.759 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.709 -7.333 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.907 -8.371 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.402 -9.325 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.334 -9.126 -7.244 1.00 0.00 H new ATOM 491 N SER 1 29 -7.319 -9.350 -9.680 1.00 0.00 N ATOM 492 CA SER 1 29 -8.544 -9.674 -10.366 1.00 0.00 C ATOM 493 C SER 1 29 -9.742 -9.323 -9.489 1.00 0.00 C ATOM 494 O SER 1 29 -9.599 -8.950 -8.320 1.00 0.00 O ATOM 495 CB SER 1 29 -8.542 -11.164 -10.738 1.00 0.00 C ATOM 496 OG SER 1 29 -9.488 -11.440 -11.755 1.00 0.00 O ATOM 0 H SER 1 29 -7.046 -10.033 -8.973 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.619 -9.090 -11.283 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.547 -11.456 -11.074 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.768 -11.762 -9.855 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.699 -12.397 -11.754 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.915 -9.478 -10.075 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.200 -9.195 -9.450 1.00 0.00 C ATOM 504 C TRP 1 30 -12.545 -10.239 -8.373 1.00 0.00 C ATOM 505 O TRP 1 30 -13.424 -10.023 -7.534 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.277 -9.197 -10.555 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.460 -10.530 -11.261 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.475 -11.316 -11.790 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.693 -11.227 -11.509 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -13.007 -12.455 -12.318 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -14.361 -12.424 -12.172 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -16.041 -10.967 -11.234 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -15.313 -13.352 -12.564 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.991 -11.894 -11.628 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.622 -13.075 -12.286 1.00 0.00 C ATOM 0 H TRP 1 30 -11.005 -9.816 -11.033 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.156 -8.225 -8.955 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.229 -8.900 -10.116 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -13.019 -8.441 -11.297 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.423 -11.070 -11.790 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -12.476 -13.210 -12.753 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.334 -10.061 -10.724 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -15.030 -14.262 -13.072 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -18.034 -11.704 -11.425 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -17.386 -13.779 -12.579 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.822 -11.359 -8.429 1.00 0.00 N ATOM 527 CA GLN 1 31 -12.011 -12.484 -7.522 1.00 0.00 C ATOM 528 C GLN 1 31 -11.012 -12.465 -6.376 1.00 0.00 C ATOM 529 O GLN 1 31 -11.279 -13.008 -5.299 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.838 -13.775 -8.311 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.964 -14.054 -9.295 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.822 -15.401 -9.966 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -12.255 -15.514 -11.054 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -13.326 -16.434 -9.308 1.00 0.00 N ATOM 0 H GLN 1 31 -11.081 -11.508 -9.114 1.00 0.00 H new ATOM 0 HA GLN 1 31 -13.010 -12.414 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.895 -13.732 -8.856 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.765 -14.609 -7.613 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.919 -14.011 -8.772 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.981 -13.273 -10.055 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.787 -16.291 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -13.253 -17.373 -9.700 1.00 0.00 H new ATOM 543 N THR 1 32 -9.870 -11.824 -6.615 1.00 0.00 N ATOM 544 CA THR 1 32 -8.796 -11.723 -5.630 1.00 0.00 C ATOM 545 C THR 1 32 -9.207 -10.900 -4.393 1.00 0.00 C ATOM 546 O THR 1 32 -9.444 -9.692 -4.478 1.00 0.00 O ATOM 547 CB THR 1 32 -7.555 -11.105 -6.280 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.494 -11.465 -7.664 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.270 -11.548 -5.584 1.00 0.00 C ATOM 0 H THR 1 32 -9.663 -11.359 -7.499 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.573 -12.733 -5.285 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.639 -10.023 -6.181 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.430 -12.439 -7.746 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.413 -11.088 -6.075 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.298 -11.240 -4.539 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.181 -12.633 -5.640 1.00 0.00 H new ATOM 557 N SER 1 33 -9.281 -11.593 -3.255 1.00 0.00 N ATOM 558 CA SER 1 33 -9.630 -10.995 -1.964 1.00 0.00 C ATOM 559 C SER 1 33 -8.367 -10.812 -1.114 1.00 0.00 C ATOM 560 O SER 1 33 -7.364 -11.475 -1.390 1.00 0.00 O ATOM 561 CB SER 1 33 -10.635 -11.895 -1.235 1.00 0.00 C ATOM 562 OG SER 1 33 -11.874 -11.933 -1.921 1.00 0.00 O ATOM 0 H SER 1 33 -9.099 -12.595 -3.203 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.084 -10.018 -2.130 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.231 -12.904 -1.151 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.788 -11.527 -0.220 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.498 -12.514 -1.438 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.361 -9.908 -0.076 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.177 -9.717 0.796 1.00 0.00 C ATOM 570 C PRO 1 34 -6.730 -11.020 1.460 1.00 0.00 C ATOM 571 O PRO 1 34 -5.558 -11.189 1.809 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.637 -8.684 1.839 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.126 -8.669 1.749 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.457 -8.992 0.319 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.307 -9.383 0.230 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.306 -8.962 2.840 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.220 -7.699 1.627 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.565 -9.401 2.426 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.524 -7.694 2.031 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.434 -9.468 0.228 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.479 -8.097 -0.303 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.694 -11.930 1.611 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.458 -13.256 2.180 1.00 0.00 C ATOM 584 C ASP 1 35 -6.864 -14.174 1.125 1.00 0.00 C ATOM 585 O ASP 1 35 -6.083 -15.074 1.430 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.749 -13.842 2.699 1.00 0.00 C ATOM 587 CG ASP 1 35 -8.905 -13.686 4.199 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.509 -14.612 4.937 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.422 -12.635 4.636 1.00 0.00 O ATOM 0 H ASP 1 35 -8.664 -11.766 1.341 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.757 -13.160 3.009 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.589 -13.359 2.199 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.791 -14.900 2.442 1.00 0.00 H new ATOM 594 N SER 1 36 -7.276 -13.924 -0.124 1.00 0.00 N ATOM 595 CA SER 1 36 -6.797 -14.661 -1.296 1.00 0.00 C ATOM 596 C SER 1 36 -5.347 -14.275 -1.574 1.00 0.00 C ATOM 597 O SER 1 36 -4.534 -15.113 -1.974 1.00 0.00 O ATOM 598 CB SER 1 36 -7.675 -14.361 -2.516 1.00 0.00 C ATOM 599 OG SER 1 36 -7.344 -15.202 -3.609 1.00 0.00 O ATOM 0 H SER 1 36 -7.957 -13.198 -0.350 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.854 -15.731 -1.096 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.724 -14.498 -2.254 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.553 -13.318 -2.807 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.921 -14.989 -4.372 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.040 -12.983 -1.340 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.728 -12.432 -1.498 1.00 0.00 C ATOM 607 C LEU 1 37 -2.819 -12.913 -0.369 1.00 0.00 C ATOM 608 O LEU 1 37 -1.642 -13.208 -0.584 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.892 -10.926 -1.462 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.667 -10.186 -2.777 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.153 -8.760 -2.651 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.206 -10.200 -3.192 1.00 0.00 C ATOM 0 H LEU 1 37 -5.730 -12.299 -1.030 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.268 -12.747 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -4.899 -10.701 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.200 -10.525 -0.722 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.235 -10.703 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -3.990 -8.236 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.217 -8.758 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.603 -8.257 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.090 -9.662 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.604 -9.717 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.874 -11.230 -3.319 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.407 -13.004 0.839 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.722 -13.480 2.027 1.00 0.00 C ATOM 626 C ARG 1 38 -2.448 -14.972 1.866 1.00 0.00 C ATOM 627 O ARG 1 38 -1.357 -15.441 2.172 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.569 -13.215 3.279 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.747 -12.844 4.509 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.624 -12.605 5.733 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.372 -11.343 5.644 1.00 0.00 N ATOM 632 CZ ARG 1 38 -4.951 -10.722 6.682 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -4.886 -11.226 7.912 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -5.600 -9.585 6.481 1.00 0.00 N ATOM 0 H ARG 1 38 -4.379 -12.744 1.005 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.779 -12.947 2.148 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.273 -12.410 3.067 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.159 -14.104 3.502 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.036 -13.642 4.723 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.166 -11.946 4.299 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.324 -13.433 5.843 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.001 -12.593 6.627 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.457 -10.908 4.725 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -4.389 -12.101 8.079 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -5.333 -10.738 8.688 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -5.656 -9.189 5.543 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -6.044 -9.106 7.264 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.461 -15.699 1.349 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.352 -17.133 1.079 1.00 0.00 C ATOM 650 C ASP 1 39 -2.319 -17.413 -0.025 1.00 0.00 C ATOM 651 O ASP 1 39 -1.541 -18.364 0.078 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.713 -17.702 0.668 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.350 -18.538 1.762 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -5.113 -19.764 1.785 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -6.087 -17.968 2.594 1.00 0.00 O ATOM 0 H ASP 1 39 -4.370 -15.303 1.111 1.00 0.00 H new ATOM 0 HA ASP 1 39 -3.019 -17.620 1.995 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.382 -16.882 0.407 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.592 -18.312 -0.227 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.294 -16.542 -1.057 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.376 -16.674 -2.186 1.00 0.00 C ATOM 662 C TYR 1 40 0.066 -16.349 -1.783 1.00 0.00 C ATOM 663 O TYR 1 40 0.977 -17.147 -1.992 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.807 -15.737 -3.325 1.00 0.00 C ATOM 665 CG TYR 1 40 -2.301 -16.450 -4.566 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -1.425 -17.155 -5.385 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -3.642 -16.413 -4.922 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -1.872 -17.801 -6.521 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -4.099 -17.059 -6.056 1.00 0.00 C ATOM 670 CZ TYR 1 40 -3.211 -17.752 -6.852 1.00 0.00 C ATOM 671 OH TYR 1 40 -3.660 -18.393 -7.984 1.00 0.00 O ATOM 0 H TYR 1 40 -2.912 -15.733 -1.122 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.413 -17.711 -2.521 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -2.596 -15.079 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -0.963 -15.102 -3.596 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 -0.377 -17.198 -5.128 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 -4.341 -15.870 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 -1.177 -18.342 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 -5.146 -17.021 -6.317 1.00 0.00 H new ATOM 0 HH TYR 1 40 -4.627 -18.262 -8.072 1.00 0.00 H new ATOM 681 N PHE 1 41 0.241 -15.168 -1.177 1.00 0.00 N ATOM 682 CA PHE 1 41 1.534 -14.658 -0.754 1.00 0.00 C ATOM 683 C PHE 1 41 2.129 -15.398 0.455 1.00 0.00 C ATOM 684 O PHE 1 41 3.351 -15.409 0.628 1.00 0.00 O ATOM 685 CB PHE 1 41 1.402 -13.165 -0.537 1.00 0.00 C ATOM 686 CG PHE 1 41 1.537 -12.390 -1.827 1.00 0.00 C ATOM 687 CD1 PHE 1 41 0.522 -12.418 -2.778 1.00 0.00 C ATOM 688 CD2 PHE 1 41 2.684 -11.666 -2.108 1.00 0.00 C ATOM 689 CE1 PHE 1 41 0.657 -11.739 -3.976 1.00 0.00 C ATOM 690 CE2 PHE 1 41 2.818 -10.981 -3.300 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.805 -11.019 -4.235 1.00 0.00 C ATOM 0 H PHE 1 41 -0.531 -14.535 -0.967 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.262 -14.847 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.434 -12.949 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.165 -12.832 0.167 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 -0.381 -12.976 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 3.485 -11.637 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 -0.136 -11.773 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 3.716 -10.416 -3.500 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.910 -10.486 -5.168 1.00 0.00 H new ATOM 701 N SER 1 42 1.260 -16.016 1.297 1.00 0.00 N ATOM 702 CA SER 1 42 1.708 -16.782 2.491 1.00 0.00 C ATOM 703 C SER 1 42 2.536 -17.971 2.051 1.00 0.00 C ATOM 704 O SER 1 42 3.243 -18.612 2.835 1.00 0.00 O ATOM 705 CB SER 1 42 0.518 -17.270 3.327 1.00 0.00 C ATOM 706 OG SER 1 42 -0.431 -17.954 2.523 1.00 0.00 O ATOM 0 H SER 1 42 0.248 -15.999 1.172 1.00 0.00 H new ATOM 0 HA SER 1 42 2.308 -16.116 3.111 1.00 0.00 H new ATOM 0 HB2 SER 1 42 0.873 -17.932 4.117 1.00 0.00 H new ATOM 0 HB3 SER 1 42 0.040 -16.420 3.814 1.00 0.00 H new ATOM 0 HG SER 1 42 -0.960 -17.303 2.016 1.00 0.00 H new ATOM 712 N LYS 1 43 2.415 -18.216 0.761 1.00 0.00 N ATOM 713 CA LYS 1 43 3.080 -19.302 0.067 1.00 0.00 C ATOM 714 C LYS 1 43 4.542 -18.966 -0.269 1.00 0.00 C ATOM 715 O LYS 1 43 5.313 -19.848 -0.656 1.00 0.00 O ATOM 716 CB LYS 1 43 2.293 -19.623 -1.197 1.00 0.00 C ATOM 717 CG LYS 1 43 1.102 -20.547 -0.967 1.00 0.00 C ATOM 718 CD LYS 1 43 1.250 -21.854 -1.733 1.00 0.00 C ATOM 719 CE LYS 1 43 0.104 -22.813 -1.439 1.00 0.00 C ATOM 720 NZ LYS 1 43 -1.174 -22.377 -2.073 1.00 0.00 N ATOM 0 H LYS 1 43 1.832 -17.647 0.147 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.108 -20.172 0.723 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.938 -18.692 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 2.963 -20.084 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 1.005 -20.758 0.098 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.186 -20.045 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.286 -21.647 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 2.196 -22.326 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 0.365 -23.808 -1.799 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -0.035 -22.890 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -1.925 -23.060 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 -1.438 -21.438 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 -1.051 -22.329 -3.105 1.00 0.00 H new ATOM 734 N PHE 1 44 4.903 -17.686 -0.116 1.00 0.00 N ATOM 735 CA PHE 1 44 6.266 -17.205 -0.374 1.00 0.00 C ATOM 736 C PHE 1 44 6.982 -16.903 0.941 1.00 0.00 C ATOM 737 O PHE 1 44 8.199 -17.076 1.054 1.00 0.00 O ATOM 738 CB PHE 1 44 6.231 -15.955 -1.238 1.00 0.00 C ATOM 739 CG PHE 1 44 7.071 -16.067 -2.478 1.00 0.00 C ATOM 740 CD1 PHE 1 44 8.415 -15.718 -2.461 1.00 0.00 C ATOM 741 CD2 PHE 1 44 6.522 -16.545 -3.657 1.00 0.00 C ATOM 742 CE1 PHE 1 44 9.190 -15.847 -3.597 1.00 0.00 C ATOM 743 CE2 PHE 1 44 7.292 -16.671 -4.794 1.00 0.00 C ATOM 744 CZ PHE 1 44 8.626 -16.325 -4.764 1.00 0.00 C ATOM 0 H PHE 1 44 4.260 -16.956 0.190 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.811 -17.987 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 5.200 -15.748 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.576 -15.105 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 8.859 -15.342 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 5.479 -16.822 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 10.235 -15.575 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 6.850 -17.041 -5.708 1.00 0.00 H new ATOM 0 HZ PHE 1 44 9.230 -16.428 -5.653 1.00 0.00 H new ATOM 754 N GLY 1 45 6.195 -16.456 1.922 1.00 0.00 N ATOM 755 CA GLY 1 45 6.678 -16.130 3.230 1.00 0.00 C ATOM 756 C GLY 1 45 5.525 -15.943 4.182 1.00 0.00 C ATOM 757 O GLY 1 45 4.404 -16.384 3.907 1.00 0.00 O ATOM 0 H GLY 1 45 5.191 -16.314 1.810 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.332 -16.923 3.592 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.275 -15.219 3.188 1.00 0.00 H new ATOM 761 N GLU 1 46 5.794 -15.277 5.286 1.00 0.00 N ATOM 762 CA GLU 1 46 4.801 -15.012 6.283 1.00 0.00 C ATOM 763 C GLU 1 46 4.330 -13.577 6.191 1.00 0.00 C ATOM 764 O GLU 1 46 5.126 -12.637 6.111 1.00 0.00 O ATOM 765 CB GLU 1 46 5.306 -15.319 7.687 1.00 0.00 C ATOM 766 CG GLU 1 46 4.168 -15.453 8.689 1.00 0.00 C ATOM 767 CD GLU 1 46 4.619 -16.011 10.024 1.00 0.00 C ATOM 768 OE1 GLU 1 46 4.974 -15.208 10.913 1.00 0.00 O ATOM 769 OE2 GLU 1 46 4.617 -17.249 10.180 1.00 0.00 O ATOM 0 H GLU 1 46 6.717 -14.906 5.510 1.00 0.00 H new ATOM 0 HA GLU 1 46 3.958 -15.675 6.089 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 5.884 -16.243 7.670 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 5.981 -14.527 8.010 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.711 -14.476 8.845 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.398 -16.102 8.272 1.00 0.00 H new ATOM 776 N ILE 1 47 3.028 -13.457 6.231 1.00 0.00 N ATOM 777 CA ILE 1 47 2.339 -12.173 6.144 1.00 0.00 C ATOM 778 C ILE 1 47 1.789 -11.742 7.497 1.00 0.00 C ATOM 779 O ILE 1 47 1.238 -12.545 8.254 1.00 0.00 O ATOM 780 CB ILE 1 47 1.221 -12.194 5.074 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.834 -12.501 3.720 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.449 -10.873 5.005 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.108 -13.570 2.918 1.00 0.00 C ATOM 0 H ILE 1 47 2.398 -14.253 6.326 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.079 -11.435 5.833 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.507 -12.967 5.356 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.862 -11.583 3.133 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.867 -12.816 3.868 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.323 -10.942 4.239 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 -0.015 -10.672 5.971 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.135 -10.063 4.757 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.618 -13.721 1.967 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.102 -14.505 3.479 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.082 -13.252 2.733 1.00 0.00 H new ATOM 795 N ARG 1 48 1.982 -10.459 7.775 1.00 0.00 N ATOM 796 CA ARG 1 48 1.521 -9.815 8.993 1.00 0.00 C ATOM 797 C ARG 1 48 0.081 -9.329 8.824 1.00 0.00 C ATOM 798 O ARG 1 48 -0.752 -9.478 9.723 1.00 0.00 O ATOM 799 CB ARG 1 48 2.434 -8.623 9.263 1.00 0.00 C ATOM 800 CG ARG 1 48 2.646 -8.316 10.732 1.00 0.00 C ATOM 801 CD ARG 1 48 3.778 -7.318 10.934 1.00 0.00 C ATOM 802 NE ARG 1 48 4.174 -7.213 12.342 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.276 -6.591 12.782 1.00 0.00 C ATOM 804 NH1 ARG 1 48 6.119 -5.998 11.937 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.541 -6.564 14.082 1.00 0.00 N ATOM 0 H ARG 1 48 2.474 -9.826 7.145 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.549 -10.521 9.823 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.403 -8.811 8.800 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.014 -7.742 8.777 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.726 -7.916 11.158 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.871 -9.237 11.269 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.638 -7.620 10.337 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.467 -6.338 10.571 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.566 -7.645 13.037 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 5.931 -6.012 10.935 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 6.952 -5.530 12.293 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 4.907 -7.016 14.741 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 6.379 -6.092 14.422 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.186 -8.768 7.637 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.487 -8.217 7.276 1.00 0.00 C ATOM 821 C GLU 1 49 -1.546 -8.037 5.764 1.00 0.00 C ATOM 822 O GLU 1 49 -0.516 -7.946 5.104 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.732 -6.863 7.974 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.203 -6.531 8.190 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.407 -5.138 8.754 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.665 -4.209 7.960 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.310 -4.977 9.988 1.00 0.00 O ATOM 0 H GLU 1 49 0.509 -8.686 6.895 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.264 -8.908 7.603 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.226 -6.868 8.940 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.276 -6.072 7.379 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.735 -6.617 7.242 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.641 -7.262 8.869 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.759 -7.994 5.241 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.008 -7.804 3.835 1.00 0.00 C ATOM 836 C CYS 1 50 -4.126 -6.793 3.662 1.00 0.00 C ATOM 837 O CYS 1 50 -5.017 -6.671 4.510 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.337 -9.124 3.131 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.734 -8.960 1.373 1.00 0.00 S ATOM 0 H CYS 1 50 -3.609 -8.093 5.797 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.101 -7.423 3.366 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.488 -9.799 3.237 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.181 -9.591 3.639 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.468 -9.965 0.998 1.00 0.00 H new ATOM 845 N MET 1 51 -4.060 -6.083 2.551 1.00 0.00 N ATOM 846 CA MET 1 51 -5.008 -5.026 2.231 1.00 0.00 C ATOM 847 C MET 1 51 -5.303 -4.942 0.738 1.00 0.00 C ATOM 848 O MET 1 51 -4.406 -4.995 -0.104 1.00 0.00 O ATOM 849 CB MET 1 51 -4.469 -3.689 2.737 1.00 0.00 C ATOM 850 CG MET 1 51 -5.368 -2.478 2.506 1.00 0.00 C ATOM 851 SD MET 1 51 -4.638 -0.956 3.141 1.00 0.00 S ATOM 852 CE MET 1 51 -5.724 0.276 2.425 1.00 0.00 C ATOM 0 H MET 1 51 -3.343 -6.223 1.839 1.00 0.00 H new ATOM 0 HA MET 1 51 -5.949 -5.263 2.728 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.279 -3.777 3.807 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.509 -3.501 2.257 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.560 -2.369 1.439 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.331 -2.646 2.988 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -5.408 1.269 2.744 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -5.679 0.213 1.338 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -6.747 0.097 2.757 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.588 -4.845 0.462 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.125 -4.668 -0.882 1.00 0.00 C ATOM 864 C VAL 1 52 -8.060 -3.464 -0.867 1.00 0.00 C ATOM 865 O VAL 1 52 -9.011 -3.401 -0.084 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.852 -5.919 -1.397 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.431 -5.713 -2.799 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.913 -7.106 -1.392 1.00 0.00 C ATOM 0 H VAL 1 52 -7.310 -4.888 1.181 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.296 -4.499 -1.570 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.687 -6.111 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.936 -6.624 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.145 -4.890 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.625 -5.479 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.439 -7.987 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -6.060 -6.898 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.563 -7.289 -0.376 1.00 0.00 H new ATOM 878 N MET 1 53 -7.757 -2.529 -1.747 1.00 0.00 N ATOM 879 CA MET 1 53 -8.499 -1.267 -1.881 1.00 0.00 C ATOM 880 C MET 1 53 -9.836 -1.436 -2.605 1.00 0.00 C ATOM 881 O MET 1 53 -9.913 -2.088 -3.650 1.00 0.00 O ATOM 882 CB MET 1 53 -7.639 -0.235 -2.612 1.00 0.00 C ATOM 883 CG MET 1 53 -7.015 0.805 -1.694 1.00 0.00 C ATOM 884 SD MET 1 53 -8.167 2.117 -1.232 1.00 0.00 S ATOM 885 CE MET 1 53 -8.748 1.553 0.368 1.00 0.00 C ATOM 0 H MET 1 53 -6.980 -2.615 -2.403 1.00 0.00 H new ATOM 0 HA MET 1 53 -8.725 -0.922 -0.872 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -6.846 -0.753 -3.151 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.252 0.272 -3.357 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.651 0.314 -0.792 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.149 1.246 -2.188 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -8.935 2.413 1.011 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -9.671 0.987 0.241 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -7.992 0.916 0.826 1.00 0.00 H new ATOM 895 N ARG 1 54 -10.876 -0.830 -2.020 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.232 -0.861 -2.566 1.00 0.00 C ATOM 897 C ARG 1 54 -12.817 0.556 -2.597 1.00 0.00 C ATOM 898 O ARG 1 54 -12.335 1.442 -1.883 1.00 0.00 O ATOM 899 CB ARG 1 54 -13.119 -1.782 -1.720 1.00 0.00 C ATOM 900 CG ARG 1 54 -14.124 -2.584 -2.532 1.00 0.00 C ATOM 901 CD ARG 1 54 -15.066 -3.373 -1.635 1.00 0.00 C ATOM 902 NE ARG 1 54 -14.427 -4.564 -1.057 1.00 0.00 N ATOM 903 CZ ARG 1 54 -15.081 -5.558 -0.435 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -16.405 -5.527 -0.296 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -14.402 -6.591 0.046 1.00 0.00 N ATOM 0 H ARG 1 54 -10.797 -0.303 -1.151 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.195 -1.249 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.484 -2.471 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -13.656 -1.180 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -14.702 -1.910 -3.165 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -13.594 -3.268 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -15.421 -2.729 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -15.941 -3.677 -2.210 1.00 0.00 H new ATOM 0 HE ARG 1 54 -13.413 -4.641 -1.134 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -16.938 -4.740 -0.665 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -16.886 -6.291 0.179 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -13.388 -6.628 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -14.894 -7.349 0.519 1.00 0.00 H new ATOM 919 N ASP 1 55 -13.858 0.760 -3.413 1.00 0.00 N ATOM 920 CA ASP 1 55 -14.502 2.042 -3.543 1.00 0.00 C ATOM 921 C ASP 1 55 -15.885 2.017 -2.885 1.00 0.00 C ATOM 922 O ASP 1 55 -16.734 1.225 -3.290 1.00 0.00 O ATOM 923 CB ASP 1 55 -14.633 2.410 -5.007 1.00 0.00 C ATOM 924 CG ASP 1 55 -13.496 3.286 -5.495 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -12.466 2.733 -5.936 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -13.632 4.527 -5.434 1.00 0.00 O ATOM 0 H ASP 1 55 -14.267 0.030 -3.996 1.00 0.00 H new ATOM 0 HA ASP 1 55 -13.890 2.790 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -14.666 1.499 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -15.579 2.929 -5.164 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.140 2.859 -1.844 1.00 0.00 N ATOM 932 CA PRO 1 56 -17.459 2.914 -1.169 1.00 0.00 C ATOM 933 C PRO 1 56 -18.607 3.353 -2.097 1.00 0.00 C ATOM 934 O PRO 1 56 -19.778 3.255 -1.722 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.262 3.963 -0.064 1.00 0.00 C ATOM 936 CG PRO 1 56 -15.788 4.081 0.123 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.168 3.778 -1.211 1.00 0.00 C ATOM 0 HA PRO 1 56 -17.748 1.926 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -17.698 4.920 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -17.750 3.654 0.860 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -15.518 5.082 0.459 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.435 3.384 0.883 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -15.027 4.683 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.188 3.313 -1.102 1.00 0.00 H new ATOM 945 N THR 1 57 -18.253 3.837 -3.302 1.00 0.00 N ATOM 946 CA THR 1 57 -19.230 4.311 -4.285 1.00 0.00 C ATOM 947 C THR 1 57 -19.852 3.174 -5.100 1.00 0.00 C ATOM 948 O THR 1 57 -21.068 3.151 -5.316 1.00 0.00 O ATOM 949 CB THR 1 57 -18.604 5.335 -5.257 1.00 0.00 C ATOM 950 OG1 THR 1 57 -17.353 4.844 -5.757 1.00 0.00 O ATOM 951 CG2 THR 1 57 -18.395 6.681 -4.577 1.00 0.00 C ATOM 0 H THR 1 57 -17.285 3.908 -3.615 1.00 0.00 H new ATOM 0 HA THR 1 57 -20.019 4.789 -3.704 1.00 0.00 H new ATOM 0 HB THR 1 57 -19.295 5.474 -6.089 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -16.967 5.501 -6.373 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -17.953 7.382 -5.285 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -19.354 7.068 -4.234 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -17.728 6.558 -3.724 1.00 0.00 H new ATOM 959 N THR 1 58 -19.003 2.241 -5.549 1.00 0.00 N ATOM 960 CA THR 1 58 -19.444 1.094 -6.356 1.00 0.00 C ATOM 961 C THR 1 58 -19.193 -0.247 -5.653 1.00 0.00 C ATOM 962 O THR 1 58 -19.622 -1.296 -6.140 1.00 0.00 O ATOM 963 CB THR 1 58 -18.739 1.079 -7.736 1.00 0.00 C ATOM 964 OG1 THR 1 58 -17.316 1.013 -7.570 1.00 0.00 O ATOM 965 CG2 THR 1 58 -19.094 2.319 -8.545 1.00 0.00 C ATOM 0 H THR 1 58 -18.000 2.258 -5.366 1.00 0.00 H new ATOM 0 HA THR 1 58 -20.519 1.215 -6.492 1.00 0.00 H new ATOM 0 HB THR 1 58 -19.084 0.196 -8.275 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -16.884 1.002 -8.450 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -18.586 2.283 -9.509 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -20.172 2.353 -8.704 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -18.779 3.210 -8.002 1.00 0.00 H new ATOM 973 N LYS 1 59 -18.493 -0.199 -4.496 1.00 0.00 N ATOM 974 CA LYS 1 59 -18.140 -1.393 -3.673 1.00 0.00 C ATOM 975 C LYS 1 59 -17.249 -2.378 -4.451 1.00 0.00 C ATOM 976 O LYS 1 59 -16.994 -3.505 -4.006 1.00 0.00 O ATOM 977 CB LYS 1 59 -19.405 -2.113 -3.155 1.00 0.00 C ATOM 978 CG LYS 1 59 -20.533 -1.179 -2.732 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.384 -0.704 -1.290 1.00 0.00 C ATOM 980 CE LYS 1 59 -21.482 0.278 -0.903 1.00 0.00 C ATOM 981 NZ LYS 1 59 -22.806 -0.388 -0.729 1.00 0.00 N ATOM 0 H LYS 1 59 -18.151 0.676 -4.098 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.574 -1.029 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.774 -2.779 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -19.130 -2.739 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -20.554 -0.315 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -21.488 -1.692 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.411 -1.563 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -19.411 -0.230 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -21.206 0.780 0.024 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -21.564 1.048 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -23.520 0.321 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -23.084 -0.845 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -22.738 -1.105 0.021 1.00 0.00 H new ATOM 995 N ARG 1 60 -16.754 -1.907 -5.592 1.00 0.00 N ATOM 996 CA ARG 1 60 -15.882 -2.693 -6.472 1.00 0.00 C ATOM 997 C ARG 1 60 -14.415 -2.308 -6.286 1.00 0.00 C ATOM 998 O ARG 1 60 -14.107 -1.187 -5.874 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.278 -2.485 -7.938 1.00 0.00 C ATOM 1000 CG ARG 1 60 -17.636 -3.066 -8.300 1.00 0.00 C ATOM 1001 CD ARG 1 60 -17.923 -2.921 -9.786 1.00 0.00 C ATOM 1002 NE ARG 1 60 -19.108 -3.684 -10.196 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -19.658 -3.641 -11.418 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -19.146 -2.872 -12.377 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -20.730 -4.378 -11.680 1.00 0.00 N ATOM 0 H ARG 1 60 -16.945 -0.966 -5.937 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.004 -3.743 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.282 -1.417 -8.155 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -15.519 -2.937 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -17.668 -4.120 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -18.414 -2.562 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -18.070 -1.868 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -17.058 -3.260 -10.357 1.00 0.00 H new ATOM 0 HE ARG 1 60 -19.544 -4.290 -9.501 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -18.321 -2.302 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -19.579 -2.853 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -21.130 -4.972 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -21.154 -4.350 -12.607 1.00 0.00 H new ATOM 1019 N SER 1 61 -13.520 -3.254 -6.597 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.073 -3.037 -6.493 1.00 0.00 C ATOM 1021 C SER 1 61 -11.507 -2.543 -7.825 1.00 0.00 C ATOM 1022 O SER 1 61 -12.080 -2.813 -8.885 1.00 0.00 O ATOM 1023 CB SER 1 61 -11.372 -4.335 -6.082 1.00 0.00 C ATOM 1024 OG SER 1 61 -11.849 -4.799 -4.831 1.00 0.00 O ATOM 0 H SER 1 61 -13.777 -4.185 -6.926 1.00 0.00 H new ATOM 0 HA SER 1 61 -11.894 -2.277 -5.732 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -11.537 -5.098 -6.843 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -10.296 -4.169 -6.025 1.00 0.00 H new ATOM 0 HG SER 1 61 -11.387 -5.630 -4.592 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.383 -1.818 -7.762 1.00 0.00 N ATOM 1031 CA ARG 1 62 -9.733 -1.285 -8.964 1.00 0.00 C ATOM 1032 C ARG 1 62 -8.676 -2.254 -9.513 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.116 -2.023 -10.590 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.105 0.082 -8.669 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.091 1.235 -8.789 1.00 0.00 C ATOM 1036 CD ARG 1 62 -9.439 2.572 -8.470 1.00 0.00 C ATOM 1037 NE ARG 1 62 -10.348 3.697 -8.730 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -10.397 4.828 -8.010 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -9.591 5.019 -6.966 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -11.265 5.775 -8.339 1.00 0.00 N ATOM 0 H ARG 1 62 -9.905 -1.587 -6.891 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.499 -1.165 -9.730 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -8.688 0.073 -7.662 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.276 0.249 -9.356 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -10.498 1.261 -9.800 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -10.929 1.069 -8.112 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -9.132 2.587 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -8.536 2.688 -9.069 1.00 0.00 H new ATOM 0 HE ARG 1 62 -10.990 3.612 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -8.920 4.298 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -9.645 5.886 -6.432 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -11.889 5.641 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -11.308 6.638 -7.797 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.426 -3.343 -8.771 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.454 -4.347 -9.187 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.053 -4.086 -8.662 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.075 -4.284 -9.388 1.00 0.00 O ATOM 0 H GLY 1 63 -8.886 -3.545 -7.883 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.786 -5.327 -8.844 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.425 -4.384 -10.276 1.00 0.00 H new ATOM 1061 N PHE 1 64 -5.958 -3.611 -7.408 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.666 -3.329 -6.769 1.00 0.00 C ATOM 1063 C PHE 1 64 -4.775 -3.407 -5.242 1.00 0.00 C ATOM 1064 O PHE 1 64 -5.805 -3.032 -4.670 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.106 -1.970 -7.243 1.00 0.00 C ATOM 1066 CG PHE 1 64 -4.742 -0.753 -6.633 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -5.677 -0.022 -7.332 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.376 -0.342 -5.370 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.242 1.112 -6.778 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -4.934 0.783 -4.802 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -5.868 1.517 -5.510 1.00 0.00 C ATOM 0 H PHE 1 64 -6.766 -3.414 -6.817 1.00 0.00 H new ATOM 0 HA PHE 1 64 -3.956 -4.098 -7.076 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.037 -1.944 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.216 -1.910 -8.326 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -5.972 -0.337 -8.322 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -3.642 -0.909 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -6.973 1.680 -7.334 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -4.643 1.090 -3.808 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.304 2.404 -5.074 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.706 -3.898 -4.597 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.674 -4.031 -3.176 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.258 -4.014 -2.659 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.328 -3.655 -3.380 1.00 0.00 O ATOM 0 H GLY 1 65 -2.854 -4.206 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.241 -3.220 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.159 -4.962 -2.884 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.124 -4.361 -1.392 1.00 0.00 N ATOM 1089 CA PHE 1 66 -0.888 -4.419 -0.689 1.00 0.00 C ATOM 1090 C PHE 1 66 -0.864 -5.660 0.200 1.00 0.00 C ATOM 1091 O PHE 1 66 -1.909 -6.246 0.500 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.775 -3.192 0.185 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.657 -1.889 -0.555 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 0.574 -1.282 -0.733 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 -1.789 -1.269 -1.062 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 0.672 -0.076 -1.400 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 -1.696 -0.069 -1.735 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.465 0.531 -1.903 1.00 0.00 C ATOM 0 H PHE 1 66 -2.922 -4.620 -0.811 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.061 -4.462 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.650 -3.145 0.834 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 0.095 -3.305 0.831 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 1.465 -1.755 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 -2.756 -1.732 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 1.636 0.393 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 -2.585 0.400 -2.130 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.389 1.473 -2.426 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.334 -6.046 0.605 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.549 -7.184 1.495 1.00 0.00 C ATOM 1110 C VAL 1 67 1.715 -6.855 2.384 1.00 0.00 C ATOM 1111 O VAL 1 67 2.770 -6.407 1.925 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.793 -8.537 0.756 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.180 -9.656 1.734 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.439 -8.958 -0.042 1.00 0.00 C ATOM 0 H VAL 1 67 1.195 -5.577 0.325 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.366 -7.337 2.067 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.624 -8.376 0.069 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.342 -10.582 1.182 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.096 -9.381 2.257 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.378 -9.800 2.458 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.240 -9.904 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.286 -9.078 0.633 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.671 -8.193 -0.783 1.00 0.00 H new ATOM 1124 N THR 1 68 1.495 -7.093 3.651 1.00 0.00 N ATOM 1125 CA THR 1 68 2.459 -6.802 4.664 1.00 0.00 C ATOM 1126 C THR 1 68 3.126 -8.053 5.184 1.00 0.00 C ATOM 1127 O THR 1 68 2.536 -8.836 5.926 1.00 0.00 O ATOM 1128 CB THR 1 68 1.808 -6.037 5.802 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.757 -5.210 5.272 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.850 -5.203 6.541 1.00 0.00 C ATOM 0 H THR 1 68 0.629 -7.499 4.006 1.00 0.00 H new ATOM 0 HA THR 1 68 3.235 -6.183 4.213 1.00 0.00 H new ATOM 0 HB THR 1 68 1.377 -6.736 6.519 1.00 0.00 H new ATOM 0 HG1 THR 1 68 -0.043 -5.755 5.120 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.370 -4.659 7.355 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.620 -5.859 6.947 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.305 -4.494 5.850 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.374 -8.200 4.783 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.197 -9.317 5.175 1.00 0.00 C ATOM 1140 C PHE 1 69 5.898 -9.069 6.512 1.00 0.00 C ATOM 1141 O PHE 1 69 6.587 -8.060 6.681 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.213 -9.591 4.084 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.655 -10.445 2.992 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.142 -9.868 1.846 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.630 -11.825 3.116 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 4.620 -10.651 0.839 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 5.109 -12.614 2.114 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.605 -12.030 0.973 1.00 0.00 C ATOM 0 H PHE 1 69 4.846 -7.537 4.169 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.555 -10.187 5.311 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.556 -8.645 3.664 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.085 -10.082 4.517 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.150 -8.793 1.738 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 6.024 -12.288 4.009 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 4.223 -10.190 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 5.096 -13.688 2.223 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.199 -12.646 0.184 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.708 -10.000 7.459 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.308 -9.899 8.794 1.00 0.00 C ATOM 1160 C ALA 1 70 7.811 -10.189 8.823 1.00 0.00 C ATOM 1161 O ALA 1 70 8.450 -10.163 9.882 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.562 -10.786 9.781 1.00 0.00 C ATOM 0 H ALA 1 70 5.139 -10.836 7.321 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.205 -8.856 9.095 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 6.020 -10.699 10.766 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.520 -10.472 9.836 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.611 -11.823 9.448 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.350 -10.440 7.650 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.751 -10.727 7.465 1.00 0.00 C ATOM 1170 C ASP 1 71 10.347 -9.854 6.367 1.00 0.00 C ATOM 1171 O ASP 1 71 9.729 -9.706 5.307 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.937 -12.179 7.062 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.291 -12.753 7.447 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 12.320 -12.190 7.020 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.319 -13.767 8.176 1.00 0.00 O ATOM 0 H ASP 1 71 7.814 -10.450 6.782 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.256 -10.524 8.410 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 9.153 -12.778 7.525 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.809 -12.266 5.983 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.548 -9.250 6.590 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.225 -8.455 5.558 1.00 0.00 C ATOM 1182 C PRO 1 72 12.824 -9.323 4.468 1.00 0.00 C ATOM 1183 O PRO 1 72 13.160 -8.841 3.382 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.349 -7.753 6.294 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.111 -7.976 7.749 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.326 -9.247 7.851 1.00 0.00 C ATOM 0 HA PRO 1 72 11.523 -7.779 5.070 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.318 -8.153 5.994 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.358 -6.688 6.062 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.054 -8.056 8.290 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.562 -7.142 8.186 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.975 -10.119 7.928 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.678 -9.254 8.727 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.944 -10.612 4.782 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.522 -11.590 3.864 1.00 0.00 C ATOM 1196 C ALA 1 73 12.541 -11.988 2.774 1.00 0.00 C ATOM 1197 O ALA 1 73 12.939 -12.291 1.645 1.00 0.00 O ATOM 1198 CB ALA 1 73 14.019 -12.816 4.617 1.00 0.00 C ATOM 0 H ALA 1 73 12.645 -11.005 5.674 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.375 -11.115 3.380 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.445 -13.529 3.911 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.782 -12.517 5.335 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 13.186 -13.281 5.145 1.00 0.00 H new ATOM 1204 N SER 1 74 11.258 -11.967 3.128 1.00 0.00 N ATOM 1205 CA SER 1 74 10.180 -12.317 2.198 1.00 0.00 C ATOM 1206 C SER 1 74 10.015 -11.256 1.119 1.00 0.00 C ATOM 1207 O SER 1 74 9.651 -11.559 -0.021 1.00 0.00 O ATOM 1208 CB SER 1 74 8.871 -12.542 2.946 1.00 0.00 C ATOM 1209 OG SER 1 74 8.014 -13.398 2.210 1.00 0.00 O ATOM 0 H SER 1 74 10.935 -11.709 4.060 1.00 0.00 H new ATOM 0 HA SER 1 74 10.454 -13.250 1.705 1.00 0.00 H new ATOM 0 HB2 SER 1 74 9.076 -12.977 3.924 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.377 -11.586 3.120 1.00 0.00 H new ATOM 0 HG SER 1 74 7.087 -13.255 2.494 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.301 -10.012 1.506 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.234 -8.856 0.608 1.00 0.00 C ATOM 1217 C VAL 1 75 11.360 -8.936 -0.415 1.00 0.00 C ATOM 1218 O VAL 1 75 11.199 -8.530 -1.563 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.329 -7.505 1.384 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 9.966 -6.314 0.496 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.447 -7.505 2.632 1.00 0.00 C ATOM 0 H VAL 1 75 10.587 -9.776 2.456 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.267 -8.884 0.106 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.369 -7.402 1.694 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.044 -5.393 1.073 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 10.650 -6.270 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 8.945 -6.429 0.133 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.541 -6.547 3.144 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.408 -7.661 2.343 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 9.762 -8.306 3.300 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.484 -9.492 0.029 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.663 -9.685 -0.799 1.00 0.00 C ATOM 1233 C ASP 1 76 13.414 -10.800 -1.810 1.00 0.00 C ATOM 1234 O ASP 1 76 13.783 -10.708 -2.986 1.00 0.00 O ATOM 1235 CB ASP 1 76 14.845 -10.039 0.098 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.181 -9.601 -0.472 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.779 -10.377 -1.247 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.629 -8.481 -0.146 1.00 0.00 O ATOM 0 H ASP 1 76 12.599 -9.824 0.986 1.00 0.00 H new ATOM 0 HA ASP 1 76 13.883 -8.768 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.704 -9.574 1.074 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.861 -11.117 0.258 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.754 -11.839 -1.306 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.386 -13.026 -2.076 1.00 0.00 C ATOM 1245 C LYS 1 77 11.353 -12.722 -3.164 1.00 0.00 C ATOM 1246 O LYS 1 77 11.472 -13.202 -4.294 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.840 -14.121 -1.148 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.880 -14.757 -0.234 1.00 0.00 C ATOM 1249 CD LYS 1 77 12.435 -16.141 0.221 1.00 0.00 C ATOM 1250 CE LYS 1 77 13.432 -16.776 1.182 1.00 0.00 C ATOM 1251 NZ LYS 1 77 13.348 -16.184 2.547 1.00 0.00 N ATOM 0 H LYS 1 77 12.454 -11.881 -0.332 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.295 -13.373 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 11.047 -13.695 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.386 -14.902 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.833 -14.832 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 13.044 -14.120 0.635 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 11.461 -16.067 0.706 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 12.310 -16.785 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 13.246 -17.849 1.240 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 14.442 -16.648 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 14.043 -16.645 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 13.550 -15.165 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 12.392 -16.328 2.930 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.368 -11.891 -2.816 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.284 -11.514 -3.732 1.00 0.00 C ATOM 1267 C VAL 1 78 9.718 -10.393 -4.695 1.00 0.00 C ATOM 1268 O VAL 1 78 9.237 -10.332 -5.830 1.00 0.00 O ATOM 1269 CB VAL 1 78 7.979 -11.124 -2.960 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 6.861 -10.663 -3.899 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.481 -12.301 -2.126 1.00 0.00 C ATOM 0 H VAL 1 78 10.297 -11.460 -1.894 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.056 -12.394 -4.333 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.238 -10.289 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 5.978 -10.404 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.194 -9.789 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.614 -11.467 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.573 -12.013 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.266 -13.146 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.247 -12.586 -1.405 1.00 0.00 H new ATOM 1281 N LEU 1 79 10.613 -9.502 -4.231 1.00 0.00 N ATOM 1282 CA LEU 1 79 11.112 -8.390 -5.036 1.00 0.00 C ATOM 1283 C LEU 1 79 11.945 -8.888 -6.226 1.00 0.00 C ATOM 1284 O LEU 1 79 11.906 -8.293 -7.307 1.00 0.00 O ATOM 1285 CB LEU 1 79 11.972 -7.489 -4.150 1.00 0.00 C ATOM 1286 CG LEU 1 79 11.859 -5.970 -4.373 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 12.767 -5.230 -3.405 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.180 -5.566 -5.810 1.00 0.00 C ATOM 0 H LEU 1 79 11.005 -9.539 -3.290 1.00 0.00 H new ATOM 0 HA LEU 1 79 10.261 -7.837 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 11.720 -7.698 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 13.015 -7.774 -4.289 1.00 0.00 H new ATOM 0 HG LEU 1 79 10.822 -5.693 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 12.679 -4.156 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 12.475 -5.463 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.800 -5.539 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.086 -4.485 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 13.199 -5.866 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.485 -6.058 -6.490 1.00 0.00 H new ATOM 1300 N GLY 1 80 12.687 -9.986 -6.009 1.00 0.00 N ATOM 1301 CA GLY 1 80 13.519 -10.567 -7.051 1.00 0.00 C ATOM 1302 C GLY 1 80 12.743 -11.378 -8.078 1.00 0.00 C ATOM 1303 O GLY 1 80 13.271 -11.694 -9.148 1.00 0.00 O ATOM 0 H GLY 1 80 12.721 -10.482 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.054 -9.767 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.270 -11.208 -6.588 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.497 -11.719 -7.741 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.633 -12.480 -8.614 1.00 0.00 C ATOM 1309 C GLN 1 81 9.657 -11.559 -9.379 1.00 0.00 C ATOM 1310 O GLN 1 81 8.650 -11.119 -8.812 1.00 0.00 O ATOM 1311 CB GLN 1 81 9.881 -13.496 -7.763 1.00 0.00 C ATOM 1312 CG GLN 1 81 10.754 -14.657 -7.316 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.720 -15.829 -8.282 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 9.791 -16.754 -8.064 1.00 0.00 O flip ATOM 1315 NE2 GLN 1 81 11.516 -15.899 -9.218 1.00 0.00 N flip ATOM 0 H GLN 1 81 11.068 -11.469 -6.850 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.229 -12.995 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.474 -12.996 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 9.035 -13.882 -8.331 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.782 -14.311 -7.208 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 10.426 -14.994 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 12.214 -15.167 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 11.478 -16.689 -9.862 1.00 0.00 H new ATOM 1324 N PRO 1 82 9.951 -11.224 -10.679 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.081 -10.350 -11.491 1.00 0.00 C ATOM 1326 C PRO 1 82 7.843 -11.059 -12.054 1.00 0.00 C ATOM 1327 O PRO 1 82 6.854 -10.403 -12.389 1.00 0.00 O ATOM 1328 CB PRO 1 82 9.983 -9.898 -12.655 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.340 -10.468 -12.385 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.142 -11.630 -11.456 1.00 0.00 C ATOM 0 HA PRO 1 82 8.688 -9.538 -10.879 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.594 -10.255 -13.609 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.024 -8.810 -12.715 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 11.816 -10.790 -13.311 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 11.992 -9.719 -11.935 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 10.973 -12.559 -12.000 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.009 -11.789 -10.815 1.00 0.00 H new ATOM 1338 N HIS 1 83 7.900 -12.396 -12.143 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.790 -13.187 -12.681 1.00 0.00 C ATOM 1340 C HIS 1 83 5.796 -13.581 -11.581 1.00 0.00 C ATOM 1341 O HIS 1 83 6.138 -14.311 -10.646 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.334 -14.435 -13.390 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.398 -15.005 -14.417 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 6.381 -14.588 -15.732 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 5.435 -15.951 -14.314 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 5.446 -15.250 -16.391 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 4.859 -16.083 -15.553 1.00 0.00 N ATOM 0 H HIS 1 83 8.704 -12.950 -11.849 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.252 -12.572 -13.403 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.279 -14.185 -13.872 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.550 -15.200 -12.644 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 5.169 -16.500 -13.423 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 5.204 -15.130 -17.437 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 4.100 -16.722 -15.788 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.570 -13.057 -11.702 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.489 -13.331 -10.766 1.00 0.00 C ATOM 1358 C HIS 1 84 2.193 -13.503 -11.548 1.00 0.00 C ATOM 1359 O HIS 1 84 1.756 -12.583 -12.250 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.361 -12.184 -9.767 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.172 -12.641 -8.354 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 4.224 -12.910 -7.503 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 2.045 -12.888 -7.645 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 3.752 -13.303 -6.333 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 2.433 -13.298 -6.394 1.00 0.00 N ATOM 0 H HIS 1 84 4.305 -12.427 -12.460 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.701 -14.245 -10.211 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.255 -11.563 -9.823 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.517 -11.556 -10.053 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 1.030 -12.782 -7.998 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 4.344 -13.581 -5.474 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 1.804 -13.557 -5.634 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.586 -14.677 -11.423 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.380 -14.985 -12.125 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.764 -15.231 -11.162 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.633 -15.936 -10.157 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.595 -16.201 -13.031 1.00 0.00 C ATOM 1379 CG GLU 1 85 -0.191 -16.145 -14.332 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.161 -17.278 -15.277 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.360 -18.397 -15.082 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 0.956 -17.046 -16.212 1.00 0.00 O ATOM 0 H GLU 1 85 1.929 -15.432 -10.828 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.115 -14.128 -12.744 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.657 -16.287 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.314 -17.102 -12.486 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -1.257 -16.181 -14.109 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 -0.000 -15.192 -14.826 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.877 -14.619 -11.514 1.00 0.00 N ATOM 1390 CA LEU 1 86 -3.118 -14.688 -10.801 1.00 0.00 C ATOM 1391 C LEU 1 86 -4.232 -14.641 -11.830 1.00 0.00 C ATOM 1392 O LEU 1 86 -4.224 -13.804 -12.734 1.00 0.00 O ATOM 1393 CB LEU 1 86 -3.233 -13.508 -9.833 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.621 -13.255 -9.252 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.878 -14.109 -8.019 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.803 -11.782 -8.935 1.00 0.00 C ATOM 0 H LEU 1 86 -1.934 -14.034 -12.347 1.00 0.00 H new ATOM 0 HA LEU 1 86 -3.179 -15.605 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.539 -13.671 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.907 -12.606 -10.350 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.354 -13.543 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.876 -13.901 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.804 -15.163 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -4.138 -13.875 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.798 -11.619 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -4.053 -11.471 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.689 -11.197 -9.847 1.00 0.00 H new ATOM 1408 N ASP 1 87 -5.188 -15.545 -11.664 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.359 -15.695 -12.547 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.949 -15.812 -14.016 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.616 -15.323 -14.936 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.269 -14.518 -12.308 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.679 -14.699 -12.850 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.910 -14.357 -14.030 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.547 -15.185 -12.096 1.00 0.00 O ATOM 0 H ASP 1 87 -5.179 -16.216 -10.895 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.885 -16.621 -12.314 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.326 -14.329 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.827 -13.633 -12.765 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.831 -16.504 -14.185 1.00 0.00 N ATOM 1421 CA SER 1 88 -4.192 -16.779 -15.494 1.00 0.00 C ATOM 1422 C SER 1 88 -3.598 -15.505 -16.128 1.00 0.00 C ATOM 1423 O SER 1 88 -3.170 -15.525 -17.290 1.00 0.00 O ATOM 1424 CB SER 1 88 -5.170 -17.468 -16.469 1.00 0.00 C ATOM 1425 OG SER 1 88 -5.591 -18.724 -15.965 1.00 0.00 O ATOM 0 H SER 1 88 -4.317 -16.907 -13.402 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.367 -17.465 -15.300 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -6.037 -16.828 -16.632 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.688 -17.604 -17.437 1.00 0.00 H new ATOM 0 HG SER 1 88 -6.211 -19.140 -16.600 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.555 -14.406 -15.355 1.00 0.00 N ATOM 1432 CA LYS 1 89 -3.004 -13.151 -15.831 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.897 -12.672 -14.917 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.860 -12.969 -13.722 1.00 0.00 O ATOM 1435 CB LYS 1 89 -4.068 -12.047 -16.018 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.181 -12.002 -14.971 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.213 -10.938 -15.313 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.265 -10.808 -14.225 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.318 -9.822 -14.591 1.00 0.00 N ATOM 0 H LYS 1 89 -3.900 -14.374 -14.396 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.593 -13.354 -16.820 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.563 -11.081 -16.024 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.525 -12.174 -16.999 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.666 -12.976 -14.909 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.753 -11.796 -13.990 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.714 -9.979 -15.454 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.695 -11.189 -16.258 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.724 -11.780 -14.045 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -6.789 -10.503 -13.293 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.018 -9.761 -13.824 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -7.883 -8.889 -14.738 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.790 -10.127 -15.467 1.00 0.00 H new ATOM 1453 N THR 1 90 -1.007 -11.927 -15.530 1.00 0.00 N ATOM 1454 CA THR 1 90 0.181 -11.360 -14.883 1.00 0.00 C ATOM 1455 C THR 1 90 -0.144 -10.084 -14.085 1.00 0.00 C ATOM 1456 O THR 1 90 -0.696 -9.123 -14.631 1.00 0.00 O ATOM 1457 CB THR 1 90 1.269 -11.043 -15.941 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.294 -12.072 -16.941 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.659 -10.928 -15.316 1.00 0.00 C ATOM 0 H THR 1 90 -1.080 -11.685 -16.518 1.00 0.00 H new ATOM 0 HA THR 1 90 0.551 -12.109 -14.182 1.00 0.00 H new ATOM 0 HB THR 1 90 1.014 -10.083 -16.389 1.00 0.00 H new ATOM 0 HG1 THR 1 90 1.982 -11.864 -17.607 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.390 -10.705 -16.093 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.660 -10.127 -14.576 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.919 -11.869 -14.832 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.219 -10.097 -12.794 1.00 0.00 N ATOM 1468 CA ILE 1 91 0.004 -8.953 -11.894 1.00 0.00 C ATOM 1469 C ILE 1 91 1.359 -8.337 -11.501 1.00 0.00 C ATOM 1470 O ILE 1 91 2.402 -8.956 -11.750 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.888 -9.338 -10.674 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.283 -10.430 -9.788 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.255 -9.784 -11.187 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -1.098 -10.715 -8.532 1.00 0.00 C ATOM 0 H ILE 1 91 0.668 -10.896 -12.346 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.558 -8.181 -12.420 1.00 0.00 H new ATOM 0 HB ILE 1 91 -0.972 -8.452 -10.044 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.191 -11.348 -10.368 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.725 -10.134 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.889 -10.056 -10.343 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.719 -8.969 -11.742 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.134 -10.646 -11.843 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.611 -11.499 -7.952 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -1.168 -9.809 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -2.099 -11.042 -8.814 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.367 -7.135 -10.898 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.639 -6.476 -10.602 1.00 0.00 C ATOM 1488 C ASP 1 92 2.920 -6.233 -9.100 1.00 0.00 C ATOM 1489 O ASP 1 92 2.437 -5.246 -8.535 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.673 -5.154 -11.369 1.00 0.00 C ATOM 1491 CG ASP 1 92 4.084 -4.645 -11.625 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 4.631 -3.945 -10.748 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.638 -4.948 -12.702 1.00 0.00 O ATOM 0 H ASP 1 92 0.534 -6.619 -10.616 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.430 -7.155 -10.919 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 2.161 -5.282 -12.323 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 2.119 -4.402 -10.808 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.690 -7.141 -8.413 1.00 0.00 N ATOM 1499 CA PRO 1 93 4.080 -6.933 -7.012 1.00 0.00 C ATOM 1500 C PRO 1 93 5.321 -6.028 -6.913 1.00 0.00 C ATOM 1501 O PRO 1 93 6.360 -6.324 -7.515 1.00 0.00 O ATOM 1502 CB PRO 1 93 4.391 -8.352 -6.493 1.00 0.00 C ATOM 1503 CG PRO 1 93 4.155 -9.285 -7.645 1.00 0.00 C ATOM 1504 CD PRO 1 93 4.182 -8.449 -8.896 1.00 0.00 C ATOM 0 HA PRO 1 93 3.302 -6.437 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 5.421 -8.420 -6.142 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.749 -8.606 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 4.923 -10.058 -7.680 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 3.196 -9.793 -7.541 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 5.186 -8.376 -9.315 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 3.541 -8.862 -9.675 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.201 -4.924 -6.155 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.314 -3.960 -5.994 1.00 0.00 C ATOM 1514 C LYS 1 94 6.315 -3.296 -4.610 1.00 0.00 C ATOM 1515 O LYS 1 94 5.266 -2.895 -4.116 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.259 -2.879 -7.102 1.00 0.00 C ATOM 1517 CG LYS 1 94 4.907 -2.170 -7.250 1.00 0.00 C ATOM 1518 CD LYS 1 94 4.669 -1.717 -8.679 1.00 0.00 C ATOM 1519 CE LYS 1 94 3.366 -0.945 -8.810 1.00 0.00 C ATOM 1520 NZ LYS 1 94 3.054 -0.626 -10.230 1.00 0.00 N ATOM 0 H LYS 1 94 4.353 -4.674 -5.646 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.241 -4.526 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 7.024 -2.130 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.515 -3.343 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 4.107 -2.843 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 4.872 -1.308 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 5.499 -1.090 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 4.646 -2.585 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 2.552 -1.530 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 3.431 -0.021 -8.236 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 2.158 -0.099 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 3.819 -0.047 -10.632 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 2.967 -1.509 -10.773 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.518 -3.119 -4.027 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.676 -2.506 -2.691 1.00 0.00 C ATOM 1536 C VAL 1 95 7.452 -0.984 -2.748 1.00 0.00 C ATOM 1537 O VAL 1 95 8.107 -0.279 -3.518 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.062 -2.807 -2.072 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.068 -2.560 -0.563 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.510 -4.236 -2.366 1.00 0.00 C ATOM 0 H VAL 1 95 8.399 -3.393 -4.463 1.00 0.00 H new ATOM 0 HA VAL 1 95 6.916 -2.955 -2.052 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.769 -2.121 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.057 -2.782 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 8.821 -1.517 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.330 -3.205 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.487 -4.411 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.787 -4.937 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.576 -4.382 -3.444 1.00 0.00 H new ATOM 1550 N ALA 1 96 6.524 -0.501 -1.909 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.166 0.915 -1.844 1.00 0.00 C ATOM 1552 C ALA 1 96 7.100 1.724 -0.941 1.00 0.00 C ATOM 1553 O ALA 1 96 7.651 1.199 0.030 1.00 0.00 O ATOM 1554 CB ALA 1 96 4.728 1.068 -1.369 1.00 0.00 C ATOM 0 H ALA 1 96 6.002 -1.086 -1.257 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.271 1.314 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 4.470 2.126 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 4.059 0.561 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 4.623 0.626 -0.378 1.00 0.00 H new ATOM 1560 N PHE 1 97 7.262 3.006 -1.289 1.00 0.00 N ATOM 1561 CA PHE 1 97 8.097 3.942 -0.547 1.00 0.00 C ATOM 1562 C PHE 1 97 7.212 4.978 0.171 1.00 0.00 C ATOM 1563 O PHE 1 97 6.329 5.557 -0.468 1.00 0.00 O ATOM 1564 CB PHE 1 97 9.045 4.647 -1.516 1.00 0.00 C ATOM 1565 CG PHE 1 97 10.431 4.067 -1.523 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 11.430 4.617 -0.735 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 10.731 2.965 -2.308 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 12.702 4.077 -0.729 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 12.002 2.422 -2.309 1.00 0.00 C ATOM 1570 CZ PHE 1 97 12.988 2.979 -1.518 1.00 0.00 C ATOM 0 H PHE 1 97 6.810 3.422 -2.103 1.00 0.00 H new ATOM 0 HA PHE 1 97 8.678 3.400 0.199 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 8.631 4.592 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 9.102 5.703 -1.253 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 11.212 5.477 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 9.962 2.525 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 13.471 4.512 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 12.224 1.564 -2.927 1.00 0.00 H new ATOM 0 HZ PHE 1 97 13.982 2.557 -1.516 1.00 0.00 H new ATOM 1580 N PRO 1 98 7.413 5.239 1.503 1.00 0.00 N ATOM 1581 CA PRO 1 98 6.596 6.215 2.257 1.00 0.00 C ATOM 1582 C PRO 1 98 6.918 7.670 1.905 1.00 0.00 C ATOM 1583 O PRO 1 98 8.083 8.030 1.719 1.00 0.00 O ATOM 1584 CB PRO 1 98 6.946 5.929 3.729 1.00 0.00 C ATOM 1585 CG PRO 1 98 7.705 4.645 3.711 1.00 0.00 C ATOM 1586 CD PRO 1 98 8.413 4.616 2.395 1.00 0.00 C ATOM 0 HA PRO 1 98 5.537 6.103 2.025 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 7.545 6.734 4.154 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 6.046 5.845 4.338 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 8.413 4.596 4.538 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 7.035 3.792 3.815 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 9.346 5.179 2.420 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 8.661 3.601 2.086 1.00 0.00 H new ATOM 1594 N ARG 1 99 5.861 8.493 1.815 1.00 0.00 N ATOM 1595 CA ARG 1 99 5.984 9.919 1.478 1.00 0.00 C ATOM 1596 C ARG 1 99 4.873 10.739 2.143 1.00 0.00 C ATOM 1597 O ARG 1 99 3.685 10.512 1.888 1.00 0.00 O ATOM 1598 CB ARG 1 99 5.923 10.124 -0.044 1.00 0.00 C ATOM 1599 CG ARG 1 99 7.261 9.964 -0.745 1.00 0.00 C ATOM 1600 CD ARG 1 99 7.113 10.114 -2.251 1.00 0.00 C ATOM 1601 NE ARG 1 99 8.391 10.407 -2.907 1.00 0.00 N ATOM 1602 CZ ARG 1 99 8.681 10.111 -4.182 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 7.794 9.503 -4.967 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 9.870 10.430 -4.673 1.00 0.00 N ATOM 0 H ARG 1 99 4.900 8.189 1.973 1.00 0.00 H new ATOM 0 HA ARG 1 99 6.949 10.262 1.850 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 5.215 9.411 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 5.534 11.121 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 7.963 10.709 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 7.681 8.985 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 6.695 9.197 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 6.404 10.913 -2.467 1.00 0.00 H new ATOM 0 HE ARG 1 99 9.112 10.870 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 6.875 9.254 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 8.033 9.286 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 10.557 10.897 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 10.098 10.208 -5.642 1.00 0.00 H new ATOM 1618 N ARG 1 100 5.276 11.684 3.003 1.00 0.00 N ATOM 1619 CA ARG 1 100 4.331 12.557 3.707 1.00 0.00 C ATOM 1620 C ARG 1 100 4.249 13.920 3.015 1.00 0.00 C ATOM 1621 O ARG 1 100 5.275 14.556 2.764 1.00 0.00 O ATOM 1622 CB ARG 1 100 4.762 12.731 5.172 1.00 0.00 C ATOM 1623 CG ARG 1 100 3.596 12.851 6.153 1.00 0.00 C ATOM 1624 CD ARG 1 100 3.072 11.488 6.596 1.00 0.00 C ATOM 1625 NE ARG 1 100 3.945 10.854 7.590 1.00 0.00 N ATOM 1626 CZ ARG 1 100 3.597 9.806 8.349 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 2.392 9.250 8.244 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 4.466 9.316 9.221 1.00 0.00 N ATOM 0 H ARG 1 100 6.255 11.863 3.228 1.00 0.00 H new ATOM 0 HA ARG 1 100 3.344 12.095 3.683 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 5.381 11.882 5.461 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 5.385 13.622 5.253 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 3.916 13.417 7.028 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 2.788 13.415 5.687 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 2.072 11.604 7.014 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 2.980 10.836 5.727 1.00 0.00 H new ATOM 0 HE ARG 1 100 4.882 11.238 7.712 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 1.715 9.621 7.577 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 2.145 8.453 8.830 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 5.391 9.736 9.310 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 4.210 8.518 9.803 1.00 0.00 H new ATOM 1642 N ALA 1 101 3.020 14.354 2.706 1.00 0.00 N ATOM 1643 CA ALA 1 101 2.780 15.625 2.033 1.00 0.00 C ATOM 1644 C ALA 1 101 2.603 16.787 3.019 1.00 0.00 C ATOM 1645 O ALA 1 101 2.505 16.578 4.232 1.00 0.00 O ATOM 1646 CB ALA 1 101 1.565 15.509 1.118 1.00 0.00 C ATOM 0 H ALA 1 101 2.170 13.831 2.917 1.00 0.00 H new ATOM 0 HA ALA 1 101 3.664 15.850 1.436 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 1.393 16.463 0.619 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 1.745 14.736 0.371 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 0.688 15.245 1.709 1.00 0.00 H new ATOM 1652 N GLN 1 102 2.569 18.010 2.470 1.00 0.00 N ATOM 1653 CA GLN 1 102 2.405 19.236 3.258 1.00 0.00 C ATOM 1654 C GLN 1 102 1.094 19.950 2.885 1.00 0.00 C ATOM 1655 O GLN 1 102 0.701 19.918 1.715 1.00 0.00 O ATOM 1656 CB GLN 1 102 3.592 20.179 3.031 1.00 0.00 C ATOM 1657 CG GLN 1 102 4.884 19.722 3.697 1.00 0.00 C ATOM 1658 CD GLN 1 102 6.033 20.683 3.465 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 6.777 20.554 2.493 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 6.186 21.651 4.360 1.00 0.00 N ATOM 0 H GLN 1 102 2.655 18.175 1.467 1.00 0.00 H new ATOM 0 HA GLN 1 102 2.366 18.960 4.312 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 3.764 20.279 1.959 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 3.333 21.169 3.406 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 4.717 19.614 4.769 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 5.156 18.738 3.316 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 5.545 21.720 5.151 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 6.944 22.326 4.257 1.00 0.00 H new ATOM 1669 N PRO 1 103 0.389 20.601 3.865 1.00 0.00 N ATOM 1670 CA PRO 1 103 -0.882 21.312 3.594 1.00 0.00 C ATOM 1671 C PRO 1 103 -0.694 22.654 2.856 1.00 0.00 C ATOM 1672 O PRO 1 103 0.436 23.098 2.642 1.00 0.00 O ATOM 1673 CB PRO 1 103 -1.464 21.534 4.998 1.00 0.00 C ATOM 1674 CG PRO 1 103 -0.282 21.597 5.902 1.00 0.00 C ATOM 1675 CD PRO 1 103 0.756 20.681 5.307 1.00 0.00 C ATOM 0 HA PRO 1 103 -1.528 20.738 2.929 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 -2.044 22.456 5.043 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 -2.133 20.721 5.280 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 0.096 22.617 5.977 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 -0.547 21.281 6.911 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 1.762 21.079 5.440 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 0.737 19.698 5.778 1.00 0.00 H new ATOM 1683 N LYS 1 104 -1.821 23.284 2.487 1.00 0.00 N ATOM 1684 CA LYS 1 104 -1.821 24.571 1.770 1.00 0.00 C ATOM 1685 C LYS 1 104 -1.793 25.755 2.743 1.00 0.00 C ATOM 1686 O LYS 1 104 -2.168 25.615 3.912 1.00 0.00 O ATOM 1687 CB LYS 1 104 -3.058 24.675 0.868 1.00 0.00 C ATOM 1688 CG LYS 1 104 -3.018 23.767 -0.353 1.00 0.00 C ATOM 1689 CD LYS 1 104 -4.384 23.673 -1.017 1.00 0.00 C ATOM 1690 CE LYS 1 104 -4.351 22.777 -2.247 1.00 0.00 C ATOM 1691 NZ LYS 1 104 -3.730 23.454 -3.421 1.00 0.00 N ATOM 0 H LYS 1 104 -2.754 22.918 2.676 1.00 0.00 H new ATOM 0 HA LYS 1 104 -0.919 24.609 1.159 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 -3.944 24.435 1.456 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 -3.166 25.707 0.536 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 -2.289 24.148 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 -2.685 22.772 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 -5.110 23.284 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 -4.720 24.670 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 -3.794 21.868 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 -5.367 22.473 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 -3.729 22.806 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 -4.275 24.307 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 -2.752 23.721 -3.190 1.00 0.00 H new ATOM 1705 N MET 1 105 -1.342 26.916 2.247 1.00 0.00 N ATOM 1706 CA MET 1 105 -1.259 28.142 3.054 1.00 0.00 C ATOM 1707 C MET 1 105 -2.500 29.032 2.880 1.00 0.00 C ATOM 1708 O MET 1 105 -2.640 30.050 3.567 1.00 0.00 O ATOM 1709 CB MET 1 105 0.003 28.934 2.687 1.00 0.00 C ATOM 1710 CG MET 1 105 1.300 28.268 3.125 1.00 0.00 C ATOM 1711 SD MET 1 105 2.761 29.227 2.679 1.00 0.00 S ATOM 1712 CE MET 1 105 4.044 28.296 3.515 1.00 0.00 C ATOM 0 H MET 1 105 -1.027 27.032 1.284 1.00 0.00 H new ATOM 0 HA MET 1 105 -1.211 27.839 4.100 1.00 0.00 H new ATOM 0 HB2 MET 1 105 0.027 29.079 1.607 1.00 0.00 H new ATOM 0 HB3 MET 1 105 -0.057 29.924 3.140 1.00 0.00 H new ATOM 0 HG2 MET 1 105 1.282 28.122 4.205 1.00 0.00 H new ATOM 0 HG3 MET 1 105 1.367 27.279 2.671 1.00 0.00 H new ATOM 0 HE1 MET 1 105 5.011 28.766 3.334 1.00 0.00 H new ATOM 0 HE2 MET 1 105 3.843 28.280 4.586 1.00 0.00 H new ATOM 0 HE3 MET 1 105 4.060 27.275 3.134 1.00 0.00 H new ATOM 1722 N VAL 1 106 -3.390 28.646 1.957 1.00 0.00 N ATOM 1723 CA VAL 1 106 -4.618 29.399 1.683 1.00 0.00 C ATOM 1724 C VAL 1 106 -5.768 28.880 2.563 1.00 0.00 C ATOM 1725 O VAL 1 106 -5.695 27.772 3.107 1.00 0.00 O ATOM 1726 CB VAL 1 106 -5.022 29.322 0.177 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 -5.976 30.450 -0.211 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 -3.799 29.345 -0.740 1.00 0.00 C ATOM 0 H VAL 1 106 -3.280 27.810 1.384 1.00 0.00 H new ATOM 0 HA VAL 1 106 -4.422 30.444 1.922 1.00 0.00 H new ATOM 0 HB VAL 1 106 -5.537 28.370 0.046 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 -6.234 30.362 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -6.882 30.383 0.391 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -5.494 31.411 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 -4.122 29.290 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 -3.243 30.269 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 -3.158 28.493 -0.514 1.00 0.00 H new ATOM 1738 N THR 1 107 -6.823 29.692 2.691 1.00 0.00 N ATOM 1739 CA THR 1 107 -7.982 29.351 3.494 1.00 0.00 C ATOM 1740 C THR 1 107 -9.085 28.655 2.677 1.00 0.00 C ATOM 1741 O THR 1 107 -9.620 27.628 3.107 1.00 0.00 O ATOM 1742 CB THR 1 107 -8.537 30.603 4.240 1.00 0.00 C ATOM 1743 OG1 THR 1 107 -9.625 30.234 5.098 1.00 0.00 O ATOM 1744 CG2 THR 1 107 -8.994 31.720 3.290 1.00 0.00 C ATOM 0 H THR 1 107 -6.889 30.603 2.237 1.00 0.00 H new ATOM 0 HA THR 1 107 -7.645 28.631 4.240 1.00 0.00 H new ATOM 0 HB THR 1 107 -7.709 30.997 4.829 1.00 0.00 H new ATOM 0 HG1 THR 1 107 -9.962 31.030 5.560 1.00 0.00 H new ATOM 0 HG21 THR 1 107 -9.369 32.562 3.872 1.00 0.00 H new ATOM 0 HG22 THR 1 107 -8.151 32.047 2.681 1.00 0.00 H new ATOM 0 HG23 THR 1 107 -9.786 31.345 2.642 1.00 0.00 H new ATOM 1752 N ARG 1 108 -9.418 29.222 1.511 1.00 0.00 N ATOM 1753 CA ARG 1 108 -10.458 28.666 0.640 1.00 0.00 C ATOM 1754 C ARG 1 108 -9.845 27.871 -0.510 1.00 0.00 C ATOM 1755 O ARG 1 108 -8.912 28.338 -1.170 1.00 0.00 O ATOM 1756 CB ARG 1 108 -11.343 29.791 0.092 1.00 0.00 C ATOM 1757 CG ARG 1 108 -12.831 29.476 0.150 1.00 0.00 C ATOM 1758 CD ARG 1 108 -13.676 30.644 -0.339 1.00 0.00 C ATOM 1759 NE ARG 1 108 -15.110 30.388 -0.168 1.00 0.00 N ATOM 1760 CZ ARG 1 108 -16.086 31.251 -0.487 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 -15.808 32.447 -1.001 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 -17.350 30.909 -0.286 1.00 0.00 N ATOM 0 H ARG 1 108 -8.980 30.069 1.149 1.00 0.00 H new ATOM 0 HA ARG 1 108 -11.070 27.986 1.233 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 -11.150 30.702 0.658 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 -11.062 29.992 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 -13.040 28.596 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 -13.111 29.229 1.174 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 -13.400 31.546 0.207 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 -13.463 30.831 -1.392 1.00 0.00 H new ATOM 0 HE ARG 1 108 -15.386 29.487 0.222 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 -14.838 32.721 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 -16.565 33.089 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 -17.575 29.996 0.108 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 -18.099 31.559 -0.526 1.00 0.00 H new ATOM 1776 N THR 1 109 -10.380 26.664 -0.736 1.00 0.00 N ATOM 1777 CA THR 1 109 -9.900 25.779 -1.803 1.00 0.00 C ATOM 1778 C THR 1 109 -10.718 25.955 -3.081 1.00 0.00 C ATOM 1779 O THR 1 109 -11.948 26.042 -3.033 1.00 0.00 O ATOM 1780 CB THR 1 109 -9.947 24.294 -1.381 1.00 0.00 C ATOM 1781 OG1 THR 1 109 -11.210 23.990 -0.776 1.00 0.00 O ATOM 1782 CG2 THR 1 109 -8.818 23.963 -0.414 1.00 0.00 C ATOM 0 H THR 1 109 -11.150 26.277 -0.190 1.00 0.00 H new ATOM 0 HA THR 1 109 -8.864 26.061 -1.993 1.00 0.00 H new ATOM 0 HB THR 1 109 -9.822 23.686 -2.277 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -11.229 23.046 -0.514 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -8.876 22.911 -0.134 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -7.859 24.159 -0.894 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -8.910 24.582 0.479 1.00 0.00 H new ATOM 1790 N LYS 1 110 -10.017 26.000 -4.222 1.00 0.00 N ATOM 1791 CA LYS 1 110 -10.643 26.167 -5.527 1.00 0.00 C ATOM 1792 C LYS 1 110 -11.048 24.821 -6.133 1.00 0.00 C ATOM 1793 O LYS 1 110 -10.233 23.898 -6.211 1.00 0.00 O ATOM 1794 CB LYS 1 110 -9.692 26.902 -6.475 1.00 0.00 C ATOM 1795 CG LYS 1 110 -10.254 28.208 -7.010 1.00 0.00 C ATOM 1796 CD LYS 1 110 -9.221 28.965 -7.830 1.00 0.00 C ATOM 1797 CE LYS 1 110 -9.788 30.263 -8.381 1.00 0.00 C ATOM 1798 NZ LYS 1 110 -8.773 31.036 -9.150 1.00 0.00 N ATOM 0 H LYS 1 110 -9.001 25.921 -4.259 1.00 0.00 H new ATOM 0 HA LYS 1 110 -11.548 26.758 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 -8.757 27.106 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 -9.452 26.249 -7.314 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 -11.130 28.003 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 -10.587 28.830 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 -8.351 29.181 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 -8.878 28.338 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 -10.639 30.042 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 -10.161 30.873 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 -9.202 31.913 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 -7.972 31.270 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 -8.435 30.465 -9.951 1.00 0.00 H new ATOM 1812 N LYS 1 111 -12.316 24.726 -6.552 1.00 0.00 N ATOM 1813 CA LYS 1 111 -12.857 23.514 -7.152 1.00 0.00 C ATOM 1814 C LYS 1 111 -12.699 23.526 -8.674 1.00 0.00 C ATOM 1815 O LYS 1 111 -13.242 24.448 -9.321 1.00 0.00 O ATOM 1816 CB LYS 1 111 -14.334 23.343 -6.771 1.00 0.00 C ATOM 1817 CG LYS 1 111 -14.555 22.808 -5.359 1.00 0.00 C ATOM 1818 CD LYS 1 111 -14.607 21.286 -5.335 1.00 0.00 C ATOM 1819 CE LYS 1 111 -14.829 20.758 -3.927 1.00 0.00 C ATOM 1820 NZ LYS 1 111 -14.893 19.272 -3.896 1.00 0.00 N ATOM 1821 OXT LYS 1 111 -12.032 22.613 -9.204 1.00 0.00 O ATOM 0 H LYS 1 111 -12.989 25.489 -6.482 1.00 0.00 H new ATOM 0 HA LYS 1 111 -12.291 22.668 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 -14.836 24.306 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 -14.806 22.665 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 -13.752 23.155 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 -15.486 23.210 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 -15.409 20.938 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 -13.676 20.883 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 -14.022 21.100 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 -15.755 21.170 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 -15.045 18.951 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 -15.679 18.946 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 -13.999 18.878 -4.254 1.00 0.00 H new TER 1835 LYS 1 111