USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 138:sc= -3.36 (180deg=-8.51!) USER MOD Single : A 10 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.1!) USER MOD Single : A 11 CYS SG : rot -77:sc= 0.716 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 1.13 (180deg=1.12) USER MOD Single : A 23 THR OG1 : rot 56:sc= 0.772 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0.585 (180deg=0.552) USER MOD Single : A 33 ASN : amide:sc= -0.0964 K(o=-0.096,f=-1) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= -0.683 (180deg=-4.12!) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= -0.136 (180deg=-0.143) USER MOD Single : A 45 ASN : amide:sc= -0.178 K(o=-0.18,f=-4!) USER MOD Single : A 56 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.13) USER MOD Single : A 58 CYS SG : rot 56:sc= -0.107 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 70 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.67) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.491 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0567) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 83:sc= -1.55 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -40:sc= 0.0263 USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= -0.0982 (180deg=-0.686) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.335 (180deg=-0.72) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 109 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-1.3) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.303 0.936 1.745 1.00 72.02 N ATOM 2 CA MET A 1 2.487 0.786 0.306 1.00 50.51 C ATOM 3 C MET A 1 3.214 -0.515 -0.017 1.00 34.32 C ATOM 4 O MET A 1 4.331 -0.744 0.446 1.00 73.42 O ATOM 5 CB MET A 1 3.271 1.974 -0.256 1.00 14.43 C ATOM 6 CG MET A 1 2.396 3.004 -0.954 1.00 25.43 C ATOM 7 SD MET A 1 1.935 4.371 0.127 1.00 5.14 S ATOM 8 CE MET A 1 2.669 5.754 -0.744 1.00 32.51 C ATOM 0 H1 MET A 1 1.806 1.829 1.940 1.00 72.02 H new ATOM 0 H2 MET A 1 1.741 0.140 2.108 1.00 72.02 H new ATOM 0 H3 MET A 1 3.231 0.947 2.214 1.00 72.02 H new ATOM 0 HA MET A 1 1.502 0.756 -0.159 1.00 50.51 H new ATOM 0 HB2 MET A 1 3.812 2.459 0.557 1.00 14.43 H new ATOM 0 HB3 MET A 1 4.017 1.606 -0.960 1.00 14.43 H new ATOM 0 HG2 MET A 1 2.925 3.396 -1.823 1.00 25.43 H new ATOM 0 HG3 MET A 1 1.493 2.518 -1.323 1.00 25.43 H new ATOM 0 HE1 MET A 1 2.469 6.676 -0.197 1.00 32.51 H new ATOM 0 HE2 MET A 1 3.746 5.604 -0.822 1.00 32.51 H new ATOM 0 HE3 MET A 1 2.239 5.824 -1.743 1.00 32.51 H new ATOM 18 N ALA A 2 2.572 -1.364 -0.813 1.00 30.42 N ATOM 19 CA ALA A 2 3.158 -2.642 -1.198 1.00 44.11 C ATOM 20 C ALA A 2 3.334 -3.553 0.012 1.00 13.11 C ATOM 21 O ALA A 2 3.384 -3.086 1.150 1.00 20.31 O ATOM 22 CB ALA A 2 4.494 -2.421 -1.893 1.00 71.40 C ATOM 0 H ALA A 2 1.646 -1.190 -1.204 1.00 30.42 H new ATOM 0 HA ALA A 2 2.475 -3.132 -1.892 1.00 44.11 H new ATOM 0 HB1 ALA A 2 4.921 -3.383 -2.175 1.00 71.40 H new ATOM 0 HB2 ALA A 2 4.344 -1.815 -2.786 1.00 71.40 H new ATOM 0 HB3 ALA A 2 5.176 -1.906 -1.216 1.00 71.40 H new ATOM 28 N SER A 3 3.425 -4.855 -0.241 1.00 45.51 N ATOM 29 CA SER A 3 3.591 -5.832 0.829 1.00 55.42 C ATOM 30 C SER A 3 2.327 -5.925 1.679 1.00 3.31 C ATOM 31 O SER A 3 1.549 -6.869 1.553 1.00 55.42 O ATOM 32 CB SER A 3 4.785 -5.459 1.709 1.00 41.31 C ATOM 33 OG SER A 3 5.827 -6.411 1.584 1.00 1.15 O ATOM 0 H SER A 3 3.387 -5.258 -1.177 1.00 45.51 H new ATOM 0 HA SER A 3 3.775 -6.805 0.374 1.00 55.42 H new ATOM 0 HB2 SER A 3 5.154 -4.472 1.428 1.00 41.31 H new ATOM 0 HB3 SER A 3 4.468 -5.396 2.750 1.00 41.31 H new ATOM 0 HG SER A 3 6.579 -6.149 2.155 1.00 1.15 H new ATOM 39 N GLY A 4 2.131 -4.936 2.547 1.00 63.50 N ATOM 40 CA GLY A 4 0.962 -4.925 3.406 1.00 11.12 C ATOM 41 C GLY A 4 -0.290 -4.479 2.676 1.00 24.42 C ATOM 42 O GLY A 4 -0.934 -3.508 3.071 1.00 21.22 O ATOM 0 H GLY A 4 2.761 -4.143 2.670 1.00 63.50 H new ATOM 0 HA2 GLY A 4 0.805 -5.924 3.813 1.00 11.12 H new ATOM 0 HA3 GLY A 4 1.142 -4.261 4.251 1.00 11.12 H new ATOM 46 N MET A 5 -0.634 -5.190 1.607 1.00 3.11 N ATOM 47 CA MET A 5 -1.817 -4.861 0.820 1.00 65.31 C ATOM 48 C MET A 5 -3.055 -4.780 1.707 1.00 23.01 C ATOM 49 O MET A 5 -3.137 -5.448 2.737 1.00 72.22 O ATOM 50 CB MET A 5 -2.030 -5.904 -0.279 1.00 61.01 C ATOM 51 CG MET A 5 -0.775 -6.207 -1.081 1.00 24.30 C ATOM 52 SD MET A 5 -0.284 -7.939 -0.975 1.00 21.15 S ATOM 53 CE MET A 5 1.489 -7.803 -1.192 1.00 53.42 C ATOM 0 H MET A 5 -0.111 -5.997 1.266 1.00 3.11 H new ATOM 0 HA MET A 5 -1.657 -3.886 0.360 1.00 65.31 H new ATOM 0 HB2 MET A 5 -2.394 -6.827 0.173 1.00 61.01 H new ATOM 0 HB3 MET A 5 -2.808 -5.552 -0.956 1.00 61.01 H new ATOM 0 HG2 MET A 5 -0.944 -5.945 -2.125 1.00 24.30 H new ATOM 0 HG3 MET A 5 0.041 -5.579 -0.722 1.00 24.30 H new ATOM 0 HE1 MET A 5 1.993 -8.470 -0.492 1.00 53.42 H new ATOM 0 HE2 MET A 5 1.753 -8.081 -2.212 1.00 53.42 H new ATOM 0 HE3 MET A 5 1.801 -6.776 -1.003 1.00 53.42 H new ATOM 63 N GLY A 6 -4.016 -3.956 1.300 1.00 21.15 N ATOM 64 CA GLY A 6 -5.236 -3.803 2.071 1.00 54.25 C ATOM 65 C GLY A 6 -6.473 -4.175 1.277 1.00 12.21 C ATOM 66 O GLY A 6 -6.995 -3.365 0.510 1.00 22.14 O ATOM 0 H GLY A 6 -3.971 -3.392 0.451 1.00 21.15 H new ATOM 0 HA2 GLY A 6 -5.179 -4.427 2.963 1.00 54.25 H new ATOM 0 HA3 GLY A 6 -5.322 -2.770 2.409 1.00 54.25 H new ATOM 70 N VAL A 7 -6.944 -5.405 1.459 1.00 4.33 N ATOM 71 CA VAL A 7 -8.127 -5.883 0.754 1.00 24.00 C ATOM 72 C VAL A 7 -9.396 -5.266 1.330 1.00 75.43 C ATOM 73 O VAL A 7 -9.756 -5.521 2.479 1.00 12.44 O ATOM 74 CB VAL A 7 -8.238 -7.418 0.822 1.00 50.24 C ATOM 75 CG1 VAL A 7 -7.134 -8.070 0.003 1.00 11.03 C ATOM 76 CG2 VAL A 7 -8.193 -7.892 2.266 1.00 11.33 C ATOM 0 H VAL A 7 -6.524 -6.088 2.089 1.00 4.33 H new ATOM 0 HA VAL A 7 -8.020 -5.580 -0.287 1.00 24.00 H new ATOM 0 HB VAL A 7 -9.197 -7.715 0.396 1.00 50.24 H new ATOM 0 HG11 VAL A 7 -7.228 -9.154 0.063 1.00 11.03 H new ATOM 0 HG12 VAL A 7 -7.218 -7.755 -1.037 1.00 11.03 H new ATOM 0 HG13 VAL A 7 -6.163 -7.768 0.396 1.00 11.03 H new ATOM 0 HG21 VAL A 7 -8.273 -8.979 2.295 1.00 11.33 H new ATOM 0 HG22 VAL A 7 -7.251 -7.585 2.721 1.00 11.33 H new ATOM 0 HG23 VAL A 7 -9.023 -7.453 2.819 1.00 11.33 H new ATOM 86 N ASP A 8 -10.072 -4.455 0.523 1.00 22.40 N ATOM 87 CA ASP A 8 -11.304 -3.803 0.951 1.00 3.23 C ATOM 88 C ASP A 8 -12.517 -4.438 0.280 1.00 71.32 C ATOM 89 O ASP A 8 -12.381 -5.197 -0.679 1.00 65.12 O ATOM 90 CB ASP A 8 -11.252 -2.308 0.631 1.00 73.23 C ATOM 91 CG ASP A 8 -12.085 -1.481 1.590 1.00 33.33 C ATOM 92 OD1 ASP A 8 -12.711 -2.073 2.494 1.00 22.42 O ATOM 93 OD2 ASP A 8 -12.112 -0.242 1.437 1.00 54.02 O ATOM 0 H ASP A 8 -9.787 -4.234 -0.431 1.00 22.40 H new ATOM 0 HA ASP A 8 -11.399 -3.933 2.029 1.00 3.23 H new ATOM 0 HB2 ASP A 8 -10.217 -1.968 0.667 1.00 73.23 H new ATOM 0 HB3 ASP A 8 -11.606 -2.145 -0.387 1.00 73.23 H new ATOM 98 N GLU A 9 -13.703 -4.123 0.792 1.00 61.54 N ATOM 99 CA GLU A 9 -14.940 -4.666 0.242 1.00 42.11 C ATOM 100 C GLU A 9 -15.136 -4.216 -1.203 1.00 73.10 C ATOM 101 O GLU A 9 -15.930 -4.796 -1.942 1.00 70.52 O ATOM 102 CB GLU A 9 -16.136 -4.229 1.091 1.00 62.45 C ATOM 103 CG GLU A 9 -16.144 -2.745 1.413 1.00 40.54 C ATOM 104 CD GLU A 9 -17.534 -2.142 1.354 1.00 35.51 C ATOM 105 OE1 GLU A 9 -17.999 -1.832 0.237 1.00 10.42 O ATOM 106 OE2 GLU A 9 -18.158 -1.982 2.424 1.00 3.01 O ATOM 0 H GLU A 9 -13.833 -3.496 1.586 1.00 61.54 H new ATOM 0 HA GLU A 9 -14.869 -5.754 0.259 1.00 42.11 H new ATOM 0 HB2 GLU A 9 -17.056 -4.483 0.565 1.00 62.45 H new ATOM 0 HB3 GLU A 9 -16.135 -4.794 2.023 1.00 62.45 H new ATOM 0 HG2 GLU A 9 -15.727 -2.591 2.408 1.00 40.54 H new ATOM 0 HG3 GLU A 9 -15.495 -2.221 0.711 1.00 40.54 H new ATOM 113 N ASN A 10 -14.407 -3.177 -1.598 1.00 31.25 N ATOM 114 CA ASN A 10 -14.501 -2.648 -2.953 1.00 55.02 C ATOM 115 C ASN A 10 -13.994 -3.665 -3.971 1.00 32.22 C ATOM 116 O ASN A 10 -14.617 -3.881 -5.011 1.00 72.41 O ATOM 117 CB ASN A 10 -13.703 -1.349 -3.072 1.00 45.45 C ATOM 118 CG ASN A 10 -14.454 -0.155 -2.516 1.00 2.33 C ATOM 119 OD1 ASN A 10 -13.948 0.565 -1.655 1.00 25.13 O ATOM 120 ND2 ASN A 10 -15.669 0.061 -3.006 1.00 61.33 N ATOM 0 H ASN A 10 -13.745 -2.685 -0.998 1.00 31.25 H new ATOM 0 HA ASN A 10 -15.550 -2.442 -3.164 1.00 55.02 H new ATOM 0 HB2 ASN A 10 -12.756 -1.458 -2.543 1.00 45.45 H new ATOM 0 HB3 ASN A 10 -13.463 -1.168 -4.120 1.00 45.45 H new ATOM 0 HD21 ASN A 10 -16.222 0.849 -2.669 1.00 61.33 H new ATOM 0 HD22 ASN A 10 -16.049 -0.561 -3.719 1.00 61.33 H new ATOM 127 N CYS A 11 -12.861 -4.287 -3.663 1.00 53.33 N ATOM 128 CA CYS A 11 -12.270 -5.282 -4.551 1.00 3.41 C ATOM 129 C CYS A 11 -13.310 -6.308 -4.988 1.00 11.40 C ATOM 130 O CYS A 11 -13.194 -6.909 -6.056 1.00 54.42 O ATOM 131 CB CYS A 11 -11.102 -5.985 -3.857 1.00 14.12 C ATOM 132 SG CYS A 11 -11.604 -7.289 -2.709 1.00 4.33 S ATOM 0 H CYS A 11 -12.334 -4.120 -2.806 1.00 53.33 H new ATOM 0 HA CYS A 11 -11.900 -4.767 -5.438 1.00 3.41 H new ATOM 0 HB2 CYS A 11 -10.448 -6.415 -4.616 1.00 14.12 H new ATOM 0 HB3 CYS A 11 -10.516 -5.243 -3.314 1.00 14.12 H new ATOM 0 HG CYS A 11 -12.039 -6.753 -1.607 1.00 4.33 H new ATOM 138 N VAL A 12 -14.326 -6.504 -4.154 1.00 33.51 N ATOM 139 CA VAL A 12 -15.387 -7.458 -4.453 1.00 75.45 C ATOM 140 C VAL A 12 -16.392 -6.872 -5.439 1.00 43.41 C ATOM 141 O VAL A 12 -16.862 -7.559 -6.345 1.00 31.22 O ATOM 142 CB VAL A 12 -16.131 -7.890 -3.176 1.00 32.23 C ATOM 143 CG1 VAL A 12 -17.134 -8.990 -3.488 1.00 34.25 C ATOM 144 CG2 VAL A 12 -15.143 -8.344 -2.112 1.00 61.53 C ATOM 0 H VAL A 12 -14.437 -6.015 -3.266 1.00 33.51 H new ATOM 0 HA VAL A 12 -14.910 -8.331 -4.899 1.00 75.45 H new ATOM 0 HB VAL A 12 -16.679 -7.032 -2.788 1.00 32.23 H new ATOM 0 HG11 VAL A 12 -17.650 -9.282 -2.573 1.00 34.25 H new ATOM 0 HG12 VAL A 12 -17.861 -8.625 -4.214 1.00 34.25 H new ATOM 0 HG13 VAL A 12 -16.611 -9.853 -3.901 1.00 34.25 H new ATOM 0 HG21 VAL A 12 -15.686 -8.646 -1.216 1.00 61.53 H new ATOM 0 HG22 VAL A 12 -14.566 -9.189 -2.488 1.00 61.53 H new ATOM 0 HG23 VAL A 12 -14.468 -7.523 -1.868 1.00 61.53 H new ATOM 154 N ALA A 13 -16.715 -5.596 -5.256 1.00 54.35 N ATOM 155 CA ALA A 13 -17.662 -4.915 -6.131 1.00 51.02 C ATOM 156 C ALA A 13 -17.264 -5.068 -7.595 1.00 51.44 C ATOM 157 O ALA A 13 -18.102 -4.960 -8.491 1.00 34.34 O ATOM 158 CB ALA A 13 -17.760 -3.443 -5.759 1.00 44.25 C ATOM 0 H ALA A 13 -16.335 -5.013 -4.510 1.00 54.35 H new ATOM 0 HA ALA A 13 -18.640 -5.378 -5.997 1.00 51.02 H new ATOM 0 HB1 ALA A 13 -18.470 -2.947 -6.420 1.00 44.25 H new ATOM 0 HB2 ALA A 13 -18.099 -3.350 -4.727 1.00 44.25 H new ATOM 0 HB3 ALA A 13 -16.781 -2.976 -5.862 1.00 44.25 H new ATOM 164 N ARG A 14 -15.980 -5.318 -7.832 1.00 15.31 N ATOM 165 CA ARG A 14 -15.472 -5.483 -9.188 1.00 44.01 C ATOM 166 C ARG A 14 -15.878 -6.838 -9.760 1.00 21.11 C ATOM 167 O ARG A 14 -16.573 -6.913 -10.773 1.00 53.11 O ATOM 168 CB ARG A 14 -13.948 -5.347 -9.204 1.00 40.10 C ATOM 169 CG ARG A 14 -13.417 -4.325 -8.212 1.00 33.35 C ATOM 170 CD ARG A 14 -11.898 -4.276 -8.222 1.00 5.12 C ATOM 171 NE ARG A 14 -11.307 -5.610 -8.288 1.00 0.10 N ATOM 172 CZ ARG A 14 -10.321 -6.017 -7.497 1.00 24.01 C ATOM 173 NH1 ARG A 14 -9.817 -5.198 -6.584 1.00 53.31 N ATOM 174 NH2 ARG A 14 -9.836 -7.246 -7.618 1.00 21.43 N ATOM 0 H ARG A 14 -15.273 -5.411 -7.102 1.00 15.31 H new ATOM 0 HA ARG A 14 -15.907 -4.701 -9.810 1.00 44.01 H new ATOM 0 HB2 ARG A 14 -13.503 -6.318 -8.986 1.00 40.10 H new ATOM 0 HB3 ARG A 14 -13.627 -5.067 -10.208 1.00 40.10 H new ATOM 0 HG2 ARG A 14 -13.815 -3.340 -8.455 1.00 33.35 H new ATOM 0 HG3 ARG A 14 -13.767 -4.573 -7.210 1.00 33.35 H new ATOM 0 HD2 ARG A 14 -11.560 -3.687 -9.075 1.00 5.12 H new ATOM 0 HD3 ARG A 14 -11.546 -3.768 -7.324 1.00 5.12 H new ATOM 0 HE ARG A 14 -11.672 -6.265 -8.980 1.00 0.10 H new ATOM 0 HH11 ARG A 14 -10.187 -4.252 -6.488 1.00 53.31 H new ATOM 0 HH12 ARG A 14 -9.060 -5.514 -5.978 1.00 53.31 H new ATOM 0 HH21 ARG A 14 -10.220 -7.879 -8.319 1.00 21.43 H new ATOM 0 HH22 ARG A 14 -9.079 -7.558 -7.010 1.00 21.43 H new ATOM 188 N PHE A 15 -15.439 -7.907 -9.104 1.00 22.02 N ATOM 189 CA PHE A 15 -15.755 -9.260 -9.547 1.00 52.33 C ATOM 190 C PHE A 15 -17.265 -9.462 -9.643 1.00 3.43 C ATOM 191 O PHE A 15 -17.748 -10.216 -10.485 1.00 75.04 O ATOM 192 CB PHE A 15 -15.151 -10.288 -8.589 1.00 13.15 C ATOM 193 CG PHE A 15 -15.851 -11.617 -8.616 1.00 42.25 C ATOM 194 CD1 PHE A 15 -15.464 -12.599 -9.514 1.00 30.44 C ATOM 195 CD2 PHE A 15 -16.895 -11.884 -7.745 1.00 43.44 C ATOM 196 CE1 PHE A 15 -16.107 -13.823 -9.542 1.00 4.32 C ATOM 197 CE2 PHE A 15 -17.541 -13.105 -7.769 1.00 21.32 C ATOM 198 CZ PHE A 15 -17.145 -14.076 -8.668 1.00 34.44 C ATOM 0 H PHE A 15 -14.863 -7.863 -8.263 1.00 22.02 H new ATOM 0 HA PHE A 15 -15.323 -9.401 -10.538 1.00 52.33 H new ATOM 0 HB2 PHE A 15 -14.101 -10.434 -8.841 1.00 13.15 H new ATOM 0 HB3 PHE A 15 -15.183 -9.890 -7.575 1.00 13.15 H new ATOM 0 HD1 PHE A 15 -14.652 -12.406 -10.199 1.00 30.44 H new ATOM 0 HD2 PHE A 15 -17.207 -11.129 -7.039 1.00 43.44 H new ATOM 0 HE1 PHE A 15 -15.797 -14.580 -10.247 1.00 4.32 H new ATOM 0 HE2 PHE A 15 -18.354 -13.300 -7.086 1.00 21.32 H new ATOM 0 HZ PHE A 15 -17.647 -15.032 -8.687 1.00 34.44 H new ATOM 208 N ASN A 16 -18.003 -8.782 -8.771 1.00 41.34 N ATOM 209 CA ASN A 16 -19.457 -8.887 -8.756 1.00 14.31 C ATOM 210 C ASN A 16 -20.072 -8.099 -9.909 1.00 10.44 C ATOM 211 O ASN A 16 -21.244 -8.275 -10.238 1.00 72.43 O ATOM 212 CB ASN A 16 -20.012 -8.379 -7.423 1.00 40.03 C ATOM 213 CG ASN A 16 -20.953 -9.374 -6.772 1.00 53.12 C ATOM 214 OD1 ASN A 16 -20.580 -10.074 -5.831 1.00 61.32 O ATOM 215 ND2 ASN A 16 -22.182 -9.440 -7.272 1.00 62.31 N ATOM 0 H ASN A 16 -17.618 -8.153 -8.066 1.00 41.34 H new ATOM 0 HA ASN A 16 -19.722 -9.938 -8.876 1.00 14.31 H new ATOM 0 HB2 ASN A 16 -19.185 -8.168 -6.745 1.00 40.03 H new ATOM 0 HB3 ASN A 16 -20.538 -7.439 -7.586 1.00 40.03 H new ATOM 0 HD21 ASN A 16 -22.860 -10.090 -6.875 1.00 62.31 H new ATOM 0 HD22 ASN A 16 -22.448 -8.840 -8.053 1.00 62.31 H new ATOM 222 N GLU A 17 -19.271 -7.229 -10.517 1.00 74.12 N ATOM 223 CA GLU A 17 -19.737 -6.414 -11.633 1.00 34.10 C ATOM 224 C GLU A 17 -19.615 -7.174 -12.950 1.00 70.34 C ATOM 225 O GLU A 17 -20.525 -7.151 -13.781 1.00 23.14 O ATOM 226 CB GLU A 17 -18.941 -5.110 -11.708 1.00 41.23 C ATOM 227 CG GLU A 17 -19.542 -3.982 -10.887 1.00 4.52 C ATOM 228 CD GLU A 17 -20.733 -4.430 -10.063 1.00 23.25 C ATOM 229 OE1 GLU A 17 -20.539 -5.235 -9.128 1.00 3.35 O ATOM 230 OE2 GLU A 17 -21.859 -3.976 -10.353 1.00 13.20 O ATOM 0 H GLU A 17 -18.298 -7.071 -10.256 1.00 74.12 H new ATOM 0 HA GLU A 17 -20.788 -6.180 -11.465 1.00 34.10 H new ATOM 0 HB2 GLU A 17 -17.923 -5.295 -11.365 1.00 41.23 H new ATOM 0 HB3 GLU A 17 -18.874 -4.794 -12.749 1.00 41.23 H new ATOM 0 HG2 GLU A 17 -18.779 -3.574 -10.224 1.00 4.52 H new ATOM 0 HG3 GLU A 17 -19.849 -3.176 -11.554 1.00 4.52 H new ATOM 237 N LEU A 18 -18.485 -7.847 -13.136 1.00 4.05 N ATOM 238 CA LEU A 18 -18.241 -8.615 -14.352 1.00 54.51 C ATOM 239 C LEU A 18 -18.916 -9.981 -14.278 1.00 2.31 C ATOM 240 O LEU A 18 -19.152 -10.625 -15.300 1.00 53.11 O ATOM 241 CB LEU A 18 -16.738 -8.787 -14.578 1.00 54.31 C ATOM 242 CG LEU A 18 -15.950 -9.395 -13.418 1.00 35.54 C ATOM 243 CD1 LEU A 18 -15.335 -10.724 -13.829 1.00 44.42 C ATOM 244 CD2 LEU A 18 -14.874 -8.432 -12.940 1.00 12.40 C ATOM 0 H LEU A 18 -17.722 -7.876 -12.459 1.00 4.05 H new ATOM 0 HA LEU A 18 -18.667 -8.065 -15.191 1.00 54.51 H new ATOM 0 HB2 LEU A 18 -16.593 -9.414 -15.458 1.00 54.31 H new ATOM 0 HB3 LEU A 18 -16.312 -7.811 -14.808 1.00 54.31 H new ATOM 0 HG LEU A 18 -16.638 -9.576 -12.593 1.00 35.54 H new ATOM 0 HD11 LEU A 18 -14.778 -11.142 -12.991 1.00 44.42 H new ATOM 0 HD12 LEU A 18 -16.125 -11.416 -14.121 1.00 44.42 H new ATOM 0 HD13 LEU A 18 -14.661 -10.568 -14.671 1.00 44.42 H new ATOM 0 HD21 LEU A 18 -14.324 -8.882 -12.114 1.00 12.40 H new ATOM 0 HD22 LEU A 18 -14.188 -8.218 -13.759 1.00 12.40 H new ATOM 0 HD23 LEU A 18 -15.339 -7.505 -12.604 1.00 12.40 H new ATOM 256 N LYS A 19 -19.225 -10.417 -13.062 1.00 15.44 N ATOM 257 CA LYS A 19 -19.876 -11.705 -12.853 1.00 13.55 C ATOM 258 C LYS A 19 -21.389 -11.581 -13.004 1.00 11.54 C ATOM 259 O LYS A 19 -22.057 -12.517 -13.443 1.00 20.35 O ATOM 260 CB LYS A 19 -19.535 -12.252 -11.465 1.00 62.40 C ATOM 261 CG LYS A 19 -20.143 -13.615 -11.183 1.00 33.15 C ATOM 262 CD LYS A 19 -20.324 -13.847 -9.692 1.00 15.22 C ATOM 263 CE LYS A 19 -21.792 -14.009 -9.327 1.00 72.23 C ATOM 264 NZ LYS A 19 -22.000 -14.018 -7.853 1.00 21.22 N ATOM 0 H LYS A 19 -19.035 -9.897 -12.205 1.00 15.44 H new ATOM 0 HA LYS A 19 -19.508 -12.397 -13.611 1.00 13.55 H new ATOM 0 HB2 LYS A 19 -18.452 -12.319 -11.366 1.00 62.40 H new ATOM 0 HB3 LYS A 19 -19.881 -11.546 -10.710 1.00 62.40 H new ATOM 0 HG2 LYS A 19 -21.108 -13.695 -11.684 1.00 33.15 H new ATOM 0 HG3 LYS A 19 -19.502 -14.393 -11.598 1.00 33.15 H new ATOM 0 HD2 LYS A 19 -19.773 -14.738 -9.392 1.00 15.22 H new ATOM 0 HD3 LYS A 19 -19.901 -13.009 -9.138 1.00 15.22 H new ATOM 0 HE2 LYS A 19 -22.368 -13.196 -9.770 1.00 72.23 H new ATOM 0 HE3 LYS A 19 -22.172 -14.938 -9.753 1.00 72.23 H new ATOM 0 HZ1 LYS A 19 -23.013 -14.130 -7.646 1.00 21.22 H new ATOM 0 HZ2 LYS A 19 -21.471 -14.809 -7.433 1.00 21.22 H new ATOM 0 HZ3 LYS A 19 -21.661 -13.121 -7.449 1.00 21.22 H new ATOM 278 N ILE A 20 -21.922 -10.419 -12.639 1.00 33.52 N ATOM 279 CA ILE A 20 -23.356 -10.173 -12.737 1.00 24.43 C ATOM 280 C ILE A 20 -23.759 -9.834 -14.168 1.00 3.24 C ATOM 281 O ILE A 20 -24.865 -10.153 -14.604 1.00 43.21 O ATOM 282 CB ILE A 20 -23.795 -9.028 -11.806 1.00 10.31 C ATOM 283 CG1 ILE A 20 -25.322 -8.952 -11.741 1.00 2.45 C ATOM 284 CG2 ILE A 20 -23.213 -7.705 -12.283 1.00 32.33 C ATOM 285 CD1 ILE A 20 -25.844 -8.398 -10.433 1.00 63.30 C ATOM 0 H ILE A 20 -21.383 -9.634 -12.273 1.00 33.52 H new ATOM 0 HA ILE A 20 -23.856 -11.092 -12.430 1.00 24.43 H new ATOM 0 HB ILE A 20 -23.417 -9.229 -10.804 1.00 10.31 H new ATOM 0 HG12 ILE A 20 -25.682 -8.329 -12.560 1.00 2.45 H new ATOM 0 HG13 ILE A 20 -25.734 -9.949 -11.894 1.00 2.45 H new ATOM 0 HG21 ILE A 20 -23.532 -6.905 -11.615 1.00 32.33 H new ATOM 0 HG22 ILE A 20 -22.125 -7.765 -12.283 1.00 32.33 H new ATOM 0 HG23 ILE A 20 -23.565 -7.496 -13.293 1.00 32.33 H new ATOM 0 HD11 ILE A 20 -26.933 -8.373 -10.457 1.00 63.30 H new ATOM 0 HD12 ILE A 20 -25.514 -9.034 -9.611 1.00 63.30 H new ATOM 0 HD13 ILE A 20 -25.461 -7.388 -10.287 1.00 63.30 H new ATOM 297 N ARG A 21 -22.853 -9.186 -14.894 1.00 32.43 N ATOM 298 CA ARG A 21 -23.114 -8.804 -16.276 1.00 61.02 C ATOM 299 C ARG A 21 -22.530 -9.830 -17.243 1.00 53.14 C ATOM 300 O ARG A 21 -23.148 -10.170 -18.253 1.00 13.05 O ATOM 301 CB ARG A 21 -22.525 -7.422 -16.565 1.00 61.13 C ATOM 302 CG ARG A 21 -23.549 -6.415 -17.063 1.00 71.40 C ATOM 303 CD ARG A 21 -24.675 -6.224 -16.059 1.00 53.13 C ATOM 304 NE ARG A 21 -25.923 -6.832 -16.514 1.00 22.43 N ATOM 305 CZ ARG A 21 -27.054 -6.797 -15.818 1.00 22.21 C ATOM 306 NH1 ARG A 21 -27.094 -6.186 -14.642 1.00 40.43 N ATOM 307 NH2 ARG A 21 -28.148 -7.374 -16.298 1.00 61.23 N ATOM 0 H ARG A 21 -21.933 -8.915 -14.548 1.00 32.43 H new ATOM 0 HA ARG A 21 -24.194 -8.769 -16.419 1.00 61.02 H new ATOM 0 HB2 ARG A 21 -22.061 -7.037 -15.657 1.00 61.13 H new ATOM 0 HB3 ARG A 21 -21.735 -7.522 -17.309 1.00 61.13 H new ATOM 0 HG2 ARG A 21 -23.060 -5.459 -17.249 1.00 71.40 H new ATOM 0 HG3 ARG A 21 -23.961 -6.753 -18.014 1.00 71.40 H new ATOM 0 HD2 ARG A 21 -24.386 -6.661 -15.103 1.00 53.13 H new ATOM 0 HD3 ARG A 21 -24.832 -5.159 -15.888 1.00 53.13 H new ATOM 0 HE ARG A 21 -25.926 -7.309 -17.415 1.00 22.43 H new ATOM 0 HH11 ARG A 21 -26.255 -5.741 -14.270 1.00 40.43 H new ATOM 0 HH12 ARG A 21 -27.964 -6.161 -14.110 1.00 40.43 H new ATOM 0 HH21 ARG A 21 -28.121 -7.845 -17.202 1.00 61.23 H new ATOM 0 HH22 ARG A 21 -29.016 -7.347 -15.763 1.00 61.23 H new ATOM 321 N LYS A 22 -21.336 -10.319 -16.929 1.00 22.44 N ATOM 322 CA LYS A 22 -20.668 -11.307 -17.768 1.00 3.10 C ATOM 323 C LYS A 22 -20.552 -10.810 -19.206 1.00 34.34 C ATOM 324 O LYS A 22 -20.309 -11.591 -20.126 1.00 64.31 O ATOM 325 CB LYS A 22 -21.430 -12.634 -17.735 1.00 43.31 C ATOM 326 CG LYS A 22 -20.676 -13.751 -17.035 1.00 44.01 C ATOM 327 CD LYS A 22 -21.625 -14.744 -16.386 1.00 15.50 C ATOM 328 CE LYS A 22 -20.969 -15.459 -15.215 1.00 54.10 C ATOM 329 NZ LYS A 22 -21.757 -15.308 -13.961 1.00 14.34 N ATOM 0 H LYS A 22 -20.810 -10.047 -16.098 1.00 22.44 H new ATOM 0 HA LYS A 22 -19.664 -11.463 -17.374 1.00 3.10 H new ATOM 0 HB2 LYS A 22 -22.386 -12.482 -17.233 1.00 43.31 H new ATOM 0 HB3 LYS A 22 -21.652 -12.942 -18.757 1.00 43.31 H new ATOM 0 HG2 LYS A 22 -20.042 -14.269 -17.754 1.00 44.01 H new ATOM 0 HG3 LYS A 22 -20.017 -13.327 -16.277 1.00 44.01 H new ATOM 0 HD2 LYS A 22 -22.518 -14.223 -16.041 1.00 15.50 H new ATOM 0 HD3 LYS A 22 -21.949 -15.476 -17.126 1.00 15.50 H new ATOM 0 HE2 LYS A 22 -20.861 -16.518 -15.451 1.00 54.10 H new ATOM 0 HE3 LYS A 22 -19.965 -15.062 -15.063 1.00 54.10 H new ATOM 0 HZ1 LYS A 22 -21.251 -15.766 -13.176 1.00 14.34 H new ATOM 0 HZ2 LYS A 22 -21.882 -14.298 -13.749 1.00 14.34 H new ATOM 0 HZ3 LYS A 22 -22.688 -15.755 -14.080 1.00 14.34 H new ATOM 343 N THR A 23 -20.728 -9.506 -19.392 1.00 43.33 N ATOM 344 CA THR A 23 -20.643 -8.905 -20.717 1.00 61.04 C ATOM 345 C THR A 23 -19.440 -7.975 -20.824 1.00 22.14 C ATOM 346 O THR A 23 -18.596 -8.133 -21.707 1.00 14.25 O ATOM 347 CB THR A 23 -21.920 -8.115 -21.059 1.00 12.53 C ATOM 348 OG1 THR A 23 -23.078 -8.888 -20.727 1.00 35.14 O ATOM 349 CG2 THR A 23 -21.953 -7.751 -22.535 1.00 52.04 C ATOM 0 H THR A 23 -20.930 -8.846 -18.642 1.00 43.33 H new ATOM 0 HA THR A 23 -20.530 -9.724 -21.428 1.00 61.04 H new ATOM 0 HB THR A 23 -21.918 -7.195 -20.475 1.00 12.53 H new ATOM 0 HG1 THR A 23 -23.039 -9.147 -19.783 1.00 35.14 H new ATOM 0 HG21 THR A 23 -22.864 -7.194 -22.752 1.00 52.04 H new ATOM 0 HG22 THR A 23 -21.086 -7.137 -22.778 1.00 52.04 H new ATOM 0 HG23 THR A 23 -21.933 -8.661 -23.135 1.00 52.04 H new ATOM 357 N VAL A 24 -19.366 -7.005 -19.918 1.00 24.12 N ATOM 358 CA VAL A 24 -18.264 -6.050 -19.909 1.00 22.24 C ATOM 359 C VAL A 24 -18.598 -4.833 -19.054 1.00 33.25 C ATOM 360 O VAL A 24 -19.062 -3.812 -19.561 1.00 51.13 O ATOM 361 CB VAL A 24 -17.915 -5.582 -21.334 1.00 21.20 C ATOM 362 CG1 VAL A 24 -19.175 -5.193 -22.092 1.00 1.43 C ATOM 363 CG2 VAL A 24 -16.931 -4.423 -21.288 1.00 22.03 C ATOM 0 H VAL A 24 -20.056 -6.860 -19.181 1.00 24.12 H new ATOM 0 HA VAL A 24 -17.403 -6.565 -19.483 1.00 22.24 H new ATOM 0 HB VAL A 24 -17.442 -6.409 -21.864 1.00 21.20 H new ATOM 0 HG11 VAL A 24 -18.909 -4.865 -23.097 1.00 1.43 H new ATOM 0 HG12 VAL A 24 -19.841 -6.053 -22.156 1.00 1.43 H new ATOM 0 HG13 VAL A 24 -19.679 -4.382 -21.567 1.00 1.43 H new ATOM 0 HG21 VAL A 24 -16.696 -4.105 -22.304 1.00 22.03 H new ATOM 0 HG22 VAL A 24 -17.374 -3.591 -20.741 1.00 22.03 H new ATOM 0 HG23 VAL A 24 -16.017 -4.741 -20.786 1.00 22.03 H new ATOM 373 N LYS A 25 -18.360 -4.948 -17.752 1.00 23.35 N ATOM 374 CA LYS A 25 -18.633 -3.857 -16.824 1.00 34.44 C ATOM 375 C LYS A 25 -17.390 -3.001 -16.608 1.00 64.14 C ATOM 376 O LYS A 25 -17.417 -2.029 -15.854 1.00 12.21 O ATOM 377 CB LYS A 25 -19.123 -4.411 -15.483 1.00 44.04 C ATOM 378 CG LYS A 25 -19.726 -3.355 -14.573 1.00 72.42 C ATOM 379 CD LYS A 25 -21.014 -3.843 -13.931 1.00 73.05 C ATOM 380 CE LYS A 25 -22.184 -3.767 -14.901 1.00 64.43 C ATOM 381 NZ LYS A 25 -23.286 -2.914 -14.376 1.00 65.52 N ATOM 0 H LYS A 25 -17.978 -5.787 -17.315 1.00 23.35 H new ATOM 0 HA LYS A 25 -19.412 -3.231 -17.259 1.00 34.44 H new ATOM 0 HB2 LYS A 25 -19.867 -5.186 -15.669 1.00 44.04 H new ATOM 0 HB3 LYS A 25 -18.288 -4.888 -14.969 1.00 44.04 H new ATOM 0 HG2 LYS A 25 -19.009 -3.090 -13.796 1.00 72.42 H new ATOM 0 HG3 LYS A 25 -19.924 -2.449 -15.146 1.00 72.42 H new ATOM 0 HD2 LYS A 25 -20.886 -4.871 -13.593 1.00 73.05 H new ATOM 0 HD3 LYS A 25 -21.232 -3.242 -13.048 1.00 73.05 H new ATOM 0 HE2 LYS A 25 -21.839 -3.368 -15.855 1.00 64.43 H new ATOM 0 HE3 LYS A 25 -22.562 -4.771 -15.093 1.00 64.43 H new ATOM 0 HZ1 LYS A 25 -24.064 -2.888 -15.066 1.00 65.52 H new ATOM 0 HZ2 LYS A 25 -23.633 -3.308 -13.478 1.00 65.52 H new ATOM 0 HZ3 LYS A 25 -22.932 -1.949 -14.217 1.00 65.52 H new ATOM 395 N TRP A 26 -16.302 -3.368 -17.277 1.00 10.35 N ATOM 396 CA TRP A 26 -15.048 -2.631 -17.159 1.00 35.42 C ATOM 397 C TRP A 26 -14.951 -1.935 -15.806 1.00 20.31 C ATOM 398 O TRP A 26 -15.360 -0.783 -15.660 1.00 2.01 O ATOM 399 CB TRP A 26 -14.929 -1.603 -18.285 1.00 75.30 C ATOM 400 CG TRP A 26 -15.646 -0.319 -17.995 1.00 74.44 C ATOM 401 CD1 TRP A 26 -16.995 -0.144 -17.869 1.00 61.12 C ATOM 402 CD2 TRP A 26 -15.052 0.968 -17.798 1.00 12.20 C ATOM 403 NE1 TRP A 26 -17.275 1.175 -17.605 1.00 42.02 N ATOM 404 CE2 TRP A 26 -16.100 1.878 -17.556 1.00 32.24 C ATOM 405 CE3 TRP A 26 -13.737 1.441 -17.800 1.00 72.12 C ATOM 406 CZ2 TRP A 26 -15.871 3.231 -17.320 1.00 34.23 C ATOM 407 CZ3 TRP A 26 -13.512 2.784 -17.566 1.00 42.12 C ATOM 408 CH2 TRP A 26 -14.574 3.666 -17.328 1.00 11.31 C ATOM 0 H TRP A 26 -16.263 -4.170 -17.906 1.00 10.35 H new ATOM 0 HA TRP A 26 -14.227 -3.344 -17.239 1.00 35.42 H new ATOM 0 HB2 TRP A 26 -13.875 -1.390 -18.463 1.00 75.30 H new ATOM 0 HB3 TRP A 26 -15.327 -2.034 -19.204 1.00 75.30 H new ATOM 0 HD1 TRP A 26 -17.733 -0.927 -17.963 1.00 61.12 H new ATOM 0 HE1 TRP A 26 -18.207 1.567 -17.468 1.00 42.02 H new ATOM 0 HE3 TRP A 26 -12.911 0.769 -17.981 1.00 72.12 H new ATOM 0 HZ2 TRP A 26 -16.688 3.913 -17.137 1.00 34.23 H new ATOM 0 HZ3 TRP A 26 -12.500 3.160 -17.567 1.00 42.12 H new ATOM 0 HH2 TRP A 26 -14.365 4.710 -17.147 1.00 11.31 H new ATOM 419 N ILE A 27 -14.408 -2.641 -14.820 1.00 25.10 N ATOM 420 CA ILE A 27 -14.256 -2.089 -13.480 1.00 2.05 C ATOM 421 C ILE A 27 -12.802 -1.727 -13.195 1.00 60.04 C ATOM 422 O ILE A 27 -11.949 -2.603 -13.054 1.00 61.32 O ATOM 423 CB ILE A 27 -14.747 -3.077 -12.405 1.00 4.01 C ATOM 424 CG1 ILE A 27 -14.492 -4.518 -12.852 1.00 35.13 C ATOM 425 CG2 ILE A 27 -16.225 -2.858 -12.120 1.00 1.04 C ATOM 426 CD1 ILE A 27 -15.650 -5.128 -13.611 1.00 22.31 C ATOM 0 H ILE A 27 -14.066 -3.596 -14.924 1.00 25.10 H new ATOM 0 HA ILE A 27 -14.867 -1.187 -13.440 1.00 2.05 H new ATOM 0 HB ILE A 27 -14.190 -2.898 -11.485 1.00 4.01 H new ATOM 0 HG12 ILE A 27 -13.602 -4.543 -13.481 1.00 35.13 H new ATOM 0 HG13 ILE A 27 -14.280 -5.130 -11.975 1.00 35.13 H new ATOM 0 HG21 ILE A 27 -16.557 -3.564 -11.358 1.00 1.04 H new ATOM 0 HG22 ILE A 27 -16.380 -1.840 -11.763 1.00 1.04 H new ATOM 0 HG23 ILE A 27 -16.799 -3.014 -13.034 1.00 1.04 H new ATOM 0 HD11 ILE A 27 -15.400 -6.150 -13.897 1.00 22.31 H new ATOM 0 HD12 ILE A 27 -16.537 -5.135 -12.977 1.00 22.31 H new ATOM 0 HD13 ILE A 27 -15.849 -4.539 -14.506 1.00 22.31 H new ATOM 438 N VAL A 28 -12.527 -0.429 -13.111 1.00 24.32 N ATOM 439 CA VAL A 28 -11.176 0.050 -12.840 1.00 73.42 C ATOM 440 C VAL A 28 -11.005 0.409 -11.369 1.00 32.24 C ATOM 441 O VAL A 28 -11.556 1.402 -10.893 1.00 20.23 O ATOM 442 CB VAL A 28 -10.834 1.280 -13.701 1.00 12.31 C ATOM 443 CG1 VAL A 28 -9.330 1.506 -13.737 1.00 34.41 C ATOM 444 CG2 VAL A 28 -11.391 1.118 -15.107 1.00 71.22 C ATOM 0 H VAL A 28 -13.221 0.309 -13.227 1.00 24.32 H new ATOM 0 HA VAL A 28 -10.495 -0.762 -13.094 1.00 73.42 H new ATOM 0 HB VAL A 28 -11.298 2.157 -13.250 1.00 12.31 H new ATOM 0 HG11 VAL A 28 -9.108 2.379 -14.350 1.00 34.41 H new ATOM 0 HG12 VAL A 28 -8.962 1.671 -12.724 1.00 34.41 H new ATOM 0 HG13 VAL A 28 -8.841 0.630 -14.163 1.00 34.41 H new ATOM 0 HG21 VAL A 28 -11.140 1.997 -15.701 1.00 71.22 H new ATOM 0 HG22 VAL A 28 -10.958 0.231 -15.570 1.00 71.22 H new ATOM 0 HG23 VAL A 28 -12.475 1.010 -15.059 1.00 71.22 H new ATOM 454 N PHE A 29 -10.238 -0.405 -10.652 1.00 24.42 N ATOM 455 CA PHE A 29 -9.994 -0.174 -9.233 1.00 23.12 C ATOM 456 C PHE A 29 -8.553 0.267 -8.994 1.00 24.05 C ATOM 457 O PHE A 29 -7.684 0.082 -9.847 1.00 15.22 O ATOM 458 CB PHE A 29 -10.291 -1.442 -8.429 1.00 51.32 C ATOM 459 CG PHE A 29 -9.298 -2.545 -8.660 1.00 52.24 C ATOM 460 CD1 PHE A 29 -9.313 -3.272 -9.840 1.00 31.13 C ATOM 461 CD2 PHE A 29 -8.350 -2.854 -7.699 1.00 21.12 C ATOM 462 CE1 PHE A 29 -8.401 -4.288 -10.054 1.00 71.15 C ATOM 463 CE2 PHE A 29 -7.435 -3.869 -7.908 1.00 50.22 C ATOM 464 CZ PHE A 29 -7.460 -4.586 -9.088 1.00 72.02 C ATOM 0 H PHE A 29 -9.774 -1.231 -11.030 1.00 24.42 H new ATOM 0 HA PHE A 29 -10.660 0.623 -8.901 1.00 23.12 H new ATOM 0 HB2 PHE A 29 -10.306 -1.194 -7.368 1.00 51.32 H new ATOM 0 HB3 PHE A 29 -11.287 -1.801 -8.687 1.00 51.32 H new ATOM 0 HD1 PHE A 29 -10.045 -3.042 -10.600 1.00 31.13 H new ATOM 0 HD2 PHE A 29 -8.325 -2.295 -6.775 1.00 21.12 H new ATOM 0 HE1 PHE A 29 -8.424 -4.849 -10.977 1.00 71.15 H new ATOM 0 HE2 PHE A 29 -6.702 -4.101 -7.150 1.00 50.22 H new ATOM 0 HZ PHE A 29 -6.745 -5.378 -9.255 1.00 72.02 H new ATOM 474 N LYS A 30 -8.305 0.852 -7.826 1.00 74.14 N ATOM 475 CA LYS A 30 -6.971 1.320 -7.472 1.00 24.40 C ATOM 476 C LYS A 30 -6.572 0.827 -6.085 1.00 20.14 C ATOM 477 O LYS A 30 -7.339 0.130 -5.420 1.00 23.45 O ATOM 478 CB LYS A 30 -6.915 2.848 -7.517 1.00 42.35 C ATOM 479 CG LYS A 30 -7.938 3.521 -6.620 1.00 15.34 C ATOM 480 CD LYS A 30 -7.609 4.988 -6.400 1.00 4.22 C ATOM 481 CE LYS A 30 -7.394 5.296 -4.926 1.00 13.51 C ATOM 482 NZ LYS A 30 -7.214 6.755 -4.685 1.00 21.12 N ATOM 0 H LYS A 30 -9.012 1.013 -7.109 1.00 74.14 H new ATOM 0 HA LYS A 30 -6.267 0.915 -8.199 1.00 24.40 H new ATOM 0 HB2 LYS A 30 -5.917 3.175 -7.225 1.00 42.35 H new ATOM 0 HB3 LYS A 30 -7.071 3.179 -8.544 1.00 42.35 H new ATOM 0 HG2 LYS A 30 -8.928 3.433 -7.066 1.00 15.34 H new ATOM 0 HG3 LYS A 30 -7.974 3.007 -5.659 1.00 15.34 H new ATOM 0 HD2 LYS A 30 -6.712 5.249 -6.962 1.00 4.22 H new ATOM 0 HD3 LYS A 30 -8.419 5.606 -6.788 1.00 4.22 H new ATOM 0 HE2 LYS A 30 -8.247 4.935 -4.351 1.00 13.51 H new ATOM 0 HE3 LYS A 30 -6.517 4.758 -4.567 1.00 13.51 H new ATOM 0 HZ1 LYS A 30 -6.807 6.903 -3.739 1.00 21.12 H new ATOM 0 HZ2 LYS A 30 -6.573 7.149 -5.403 1.00 21.12 H new ATOM 0 HZ3 LYS A 30 -8.136 7.233 -4.744 1.00 21.12 H new ATOM 496 N ILE A 31 -5.370 1.195 -5.654 1.00 30.31 N ATOM 497 CA ILE A 31 -4.872 0.792 -4.345 1.00 30.24 C ATOM 498 C ILE A 31 -4.319 1.987 -3.575 1.00 64.54 C ATOM 499 O ILE A 31 -3.277 2.537 -3.931 1.00 22.45 O ATOM 500 CB ILE A 31 -3.773 -0.280 -4.466 1.00 21.22 C ATOM 501 CG1 ILE A 31 -2.759 0.117 -5.540 1.00 42.14 C ATOM 502 CG2 ILE A 31 -4.387 -1.635 -4.785 1.00 32.04 C ATOM 503 CD1 ILE A 31 -1.598 -0.845 -5.662 1.00 33.54 C ATOM 0 H ILE A 31 -4.723 1.771 -6.192 1.00 30.31 H new ATOM 0 HA ILE A 31 -5.718 0.373 -3.801 1.00 30.24 H new ATOM 0 HB ILE A 31 -3.253 -0.355 -3.511 1.00 21.22 H new ATOM 0 HG12 ILE A 31 -3.268 0.183 -6.502 1.00 42.14 H new ATOM 0 HG13 ILE A 31 -2.374 1.111 -5.314 1.00 42.14 H new ATOM 0 HG21 ILE A 31 -3.597 -2.382 -4.867 1.00 32.04 H new ATOM 0 HG22 ILE A 31 -5.074 -1.920 -3.988 1.00 32.04 H new ATOM 0 HG23 ILE A 31 -4.930 -1.575 -5.728 1.00 32.04 H new ATOM 0 HD11 ILE A 31 -0.920 -0.500 -6.443 1.00 33.54 H new ATOM 0 HD12 ILE A 31 -1.064 -0.893 -4.713 1.00 33.54 H new ATOM 0 HD13 ILE A 31 -1.972 -1.836 -5.919 1.00 33.54 H new ATOM 515 N GLU A 32 -5.023 2.381 -2.519 1.00 43.11 N ATOM 516 CA GLU A 32 -4.601 3.510 -1.699 1.00 5.50 C ATOM 517 C GLU A 32 -3.508 3.093 -0.719 1.00 34.35 C ATOM 518 O GLU A 32 -2.946 2.004 -0.826 1.00 75.43 O ATOM 519 CB GLU A 32 -5.793 4.088 -0.935 1.00 14.53 C ATOM 520 CG GLU A 32 -7.057 4.198 -1.771 1.00 72.51 C ATOM 521 CD GLU A 32 -7.673 5.582 -1.720 1.00 42.43 C ATOM 522 OE1 GLU A 32 -6.917 6.572 -1.808 1.00 45.04 O ATOM 523 OE2 GLU A 32 -8.912 5.676 -1.593 1.00 23.14 O ATOM 0 H GLU A 32 -5.887 1.935 -2.211 1.00 43.11 H new ATOM 0 HA GLU A 32 -4.198 4.276 -2.361 1.00 5.50 H new ATOM 0 HB2 GLU A 32 -5.995 3.461 -0.066 1.00 14.53 H new ATOM 0 HB3 GLU A 32 -5.528 5.077 -0.560 1.00 14.53 H new ATOM 0 HG2 GLU A 32 -6.826 3.945 -2.806 1.00 72.51 H new ATOM 0 HG3 GLU A 32 -7.785 3.467 -1.419 1.00 72.51 H new ATOM 530 N ASN A 33 -3.213 3.968 0.237 1.00 32.34 N ATOM 531 CA ASN A 33 -2.188 3.691 1.237 1.00 62.12 C ATOM 532 C ASN A 33 -2.601 2.526 2.132 1.00 43.41 C ATOM 533 O ASN A 33 -3.216 2.722 3.180 1.00 14.04 O ATOM 534 CB ASN A 33 -1.927 4.935 2.088 1.00 45.32 C ATOM 535 CG ASN A 33 -1.707 6.177 1.245 1.00 75.31 C ATOM 536 OD1 ASN A 33 -1.332 6.088 0.076 1.00 55.34 O ATOM 537 ND2 ASN A 33 -1.941 7.342 1.837 1.00 41.33 N ATOM 0 H ASN A 33 -3.669 4.875 0.340 1.00 32.34 H new ATOM 0 HA ASN A 33 -1.271 3.417 0.715 1.00 62.12 H new ATOM 0 HB2 ASN A 33 -2.772 5.098 2.757 1.00 45.32 H new ATOM 0 HB3 ASN A 33 -1.052 4.766 2.716 1.00 45.32 H new ATOM 0 HD21 ASN A 33 -1.811 8.212 1.320 1.00 41.33 H new ATOM 0 HD22 ASN A 33 -2.251 7.367 2.809 1.00 41.33 H new ATOM 544 N THR A 34 -2.257 1.313 1.711 1.00 31.13 N ATOM 545 CA THR A 34 -2.592 0.117 2.473 1.00 21.34 C ATOM 546 C THR A 34 -4.091 -0.159 2.434 1.00 3.42 C ATOM 547 O THR A 34 -4.714 -0.409 3.466 1.00 22.31 O ATOM 548 CB THR A 34 -2.143 0.242 3.941 1.00 24.25 C ATOM 549 OG1 THR A 34 -1.070 1.184 4.047 1.00 40.51 O ATOM 550 CG2 THR A 34 -1.696 -1.106 4.487 1.00 4.03 C ATOM 0 H THR A 34 -1.747 1.133 0.846 1.00 31.13 H new ATOM 0 HA THR A 34 -2.060 -0.713 2.007 1.00 21.34 H new ATOM 0 HB THR A 34 -2.992 0.591 4.529 1.00 24.25 H new ATOM 0 HG1 THR A 34 -0.792 1.259 4.984 1.00 40.51 H new ATOM 0 HG21 THR A 34 -1.383 -0.993 5.525 1.00 4.03 H new ATOM 0 HG22 THR A 34 -2.524 -1.813 4.432 1.00 4.03 H new ATOM 0 HG23 THR A 34 -0.860 -1.479 3.895 1.00 4.03 H new ATOM 558 N LYS A 35 -4.665 -0.111 1.237 1.00 31.21 N ATOM 559 CA LYS A 35 -6.092 -0.358 1.062 1.00 45.40 C ATOM 560 C LYS A 35 -6.459 -0.398 -0.418 1.00 11.11 C ATOM 561 O LYS A 35 -5.719 0.104 -1.264 1.00 51.15 O ATOM 562 CB LYS A 35 -6.908 0.725 1.772 1.00 62.12 C ATOM 563 CG LYS A 35 -8.397 0.430 1.820 1.00 11.12 C ATOM 564 CD LYS A 35 -8.679 -0.909 2.481 1.00 13.55 C ATOM 565 CE LYS A 35 -8.141 -0.952 3.903 1.00 22.43 C ATOM 566 NZ LYS A 35 -8.574 -2.182 4.623 1.00 64.34 N ATOM 0 H LYS A 35 -4.164 0.097 0.373 1.00 31.21 H new ATOM 0 HA LYS A 35 -6.325 -1.327 1.502 1.00 45.40 H new ATOM 0 HB2 LYS A 35 -6.536 0.840 2.790 1.00 62.12 H new ATOM 0 HB3 LYS A 35 -6.751 1.677 1.266 1.00 62.12 H new ATOM 0 HG2 LYS A 35 -8.908 1.222 2.367 1.00 11.12 H new ATOM 0 HG3 LYS A 35 -8.802 0.430 0.808 1.00 11.12 H new ATOM 0 HD2 LYS A 35 -9.754 -1.092 2.492 1.00 13.55 H new ATOM 0 HD3 LYS A 35 -8.225 -1.708 1.895 1.00 13.55 H new ATOM 0 HE2 LYS A 35 -7.052 -0.909 3.881 1.00 22.43 H new ATOM 0 HE3 LYS A 35 -8.484 -0.072 4.448 1.00 22.43 H new ATOM 0 HZ1 LYS A 35 -8.187 -2.174 5.588 1.00 64.34 H new ATOM 0 HZ2 LYS A 35 -9.613 -2.211 4.667 1.00 64.34 H new ATOM 0 HZ3 LYS A 35 -8.225 -3.021 4.117 1.00 64.34 H new ATOM 580 N ILE A 36 -7.606 -0.996 -0.722 1.00 22.41 N ATOM 581 CA ILE A 36 -8.072 -1.099 -2.099 1.00 64.02 C ATOM 582 C ILE A 36 -9.441 -0.449 -2.266 1.00 61.03 C ATOM 583 O ILE A 36 -10.263 -0.463 -1.350 1.00 22.01 O ATOM 584 CB ILE A 36 -8.153 -2.567 -2.558 1.00 13.01 C ATOM 585 CG1 ILE A 36 -6.753 -3.180 -2.630 1.00 33.32 C ATOM 586 CG2 ILE A 36 -8.849 -2.662 -3.908 1.00 30.25 C ATOM 587 CD1 ILE A 36 -6.720 -4.652 -2.282 1.00 61.14 C ATOM 0 H ILE A 36 -8.230 -1.417 -0.033 1.00 22.41 H new ATOM 0 HA ILE A 36 -7.345 -0.573 -2.718 1.00 64.02 H new ATOM 0 HB ILE A 36 -8.738 -3.128 -1.829 1.00 13.01 H new ATOM 0 HG12 ILE A 36 -6.357 -3.044 -3.636 1.00 33.32 H new ATOM 0 HG13 ILE A 36 -6.093 -2.639 -1.952 1.00 33.32 H new ATOM 0 HG21 ILE A 36 -8.899 -3.705 -4.219 1.00 30.25 H new ATOM 0 HG22 ILE A 36 -9.859 -2.259 -3.826 1.00 30.25 H new ATOM 0 HG23 ILE A 36 -8.289 -2.089 -4.647 1.00 30.25 H new ATOM 0 HD11 ILE A 36 -5.697 -5.020 -2.354 1.00 61.14 H new ATOM 0 HD12 ILE A 36 -7.086 -4.794 -1.265 1.00 61.14 H new ATOM 0 HD13 ILE A 36 -7.354 -5.204 -2.976 1.00 61.14 H new ATOM 599 N VAL A 37 -9.680 0.119 -3.444 1.00 14.21 N ATOM 600 CA VAL A 37 -10.952 0.772 -3.733 1.00 45.22 C ATOM 601 C VAL A 37 -11.234 0.785 -5.231 1.00 53.12 C ATOM 602 O VAL A 37 -10.330 0.601 -6.046 1.00 52.33 O ATOM 603 CB VAL A 37 -10.972 2.219 -3.206 1.00 11.15 C ATOM 604 CG1 VAL A 37 -11.128 2.234 -1.693 1.00 24.35 C ATOM 605 CG2 VAL A 37 -9.711 2.958 -3.627 1.00 62.53 C ATOM 0 H VAL A 37 -9.010 0.140 -4.213 1.00 14.21 H new ATOM 0 HA VAL A 37 -11.726 0.197 -3.225 1.00 45.22 H new ATOM 0 HB VAL A 37 -11.829 2.733 -3.641 1.00 11.15 H new ATOM 0 HG11 VAL A 37 -11.140 3.265 -1.339 1.00 24.35 H new ATOM 0 HG12 VAL A 37 -12.063 1.745 -1.419 1.00 24.35 H new ATOM 0 HG13 VAL A 37 -10.293 1.703 -1.236 1.00 24.35 H new ATOM 0 HG21 VAL A 37 -9.743 3.979 -3.246 1.00 62.53 H new ATOM 0 HG22 VAL A 37 -8.837 2.447 -3.223 1.00 62.53 H new ATOM 0 HG23 VAL A 37 -9.648 2.979 -4.715 1.00 62.53 H new ATOM 615 N VAL A 38 -12.496 1.004 -5.588 1.00 10.11 N ATOM 616 CA VAL A 38 -12.899 1.043 -6.989 1.00 22.14 C ATOM 617 C VAL A 38 -13.015 2.479 -7.487 1.00 60.25 C ATOM 618 O VAL A 38 -13.431 3.371 -6.749 1.00 30.42 O ATOM 619 CB VAL A 38 -14.244 0.325 -7.206 1.00 11.11 C ATOM 620 CG1 VAL A 38 -15.286 0.834 -6.221 1.00 61.51 C ATOM 621 CG2 VAL A 38 -14.720 0.508 -8.639 1.00 65.43 C ATOM 0 H VAL A 38 -13.257 1.157 -4.926 1.00 10.11 H new ATOM 0 HA VAL A 38 -12.125 0.526 -7.556 1.00 22.14 H new ATOM 0 HB VAL A 38 -14.100 -0.741 -7.028 1.00 11.11 H new ATOM 0 HG11 VAL A 38 -16.230 0.315 -6.389 1.00 61.51 H new ATOM 0 HG12 VAL A 38 -14.946 0.647 -5.202 1.00 61.51 H new ATOM 0 HG13 VAL A 38 -15.430 1.905 -6.365 1.00 61.51 H new ATOM 0 HG21 VAL A 38 -15.672 -0.006 -8.775 1.00 65.43 H new ATOM 0 HG22 VAL A 38 -14.848 1.570 -8.847 1.00 65.43 H new ATOM 0 HG23 VAL A 38 -13.982 0.091 -9.324 1.00 65.43 H new ATOM 631 N GLU A 39 -12.645 2.694 -8.746 1.00 3.10 N ATOM 632 CA GLU A 39 -12.707 4.023 -9.343 1.00 74.23 C ATOM 633 C GLU A 39 -13.799 4.090 -10.408 1.00 64.20 C ATOM 634 O GLU A 39 -14.675 4.953 -10.362 1.00 52.10 O ATOM 635 CB GLU A 39 -11.356 4.394 -9.958 1.00 13.31 C ATOM 636 CG GLU A 39 -10.266 4.640 -8.928 1.00 72.04 C ATOM 637 CD GLU A 39 -9.845 6.095 -8.860 1.00 52.13 C ATOM 638 OE1 GLU A 39 -9.122 6.546 -9.773 1.00 64.00 O ATOM 639 OE2 GLU A 39 -10.239 6.783 -7.895 1.00 63.32 O ATOM 0 H GLU A 39 -12.300 1.966 -9.371 1.00 3.10 H new ATOM 0 HA GLU A 39 -12.947 4.737 -8.555 1.00 74.23 H new ATOM 0 HB2 GLU A 39 -11.039 3.594 -10.627 1.00 13.31 H new ATOM 0 HB3 GLU A 39 -11.477 5.290 -10.567 1.00 13.31 H new ATOM 0 HG2 GLU A 39 -10.620 4.322 -7.947 1.00 72.04 H new ATOM 0 HG3 GLU A 39 -9.398 4.026 -9.169 1.00 72.04 H new ATOM 646 N LYS A 40 -13.738 3.172 -11.367 1.00 41.32 N ATOM 647 CA LYS A 40 -14.720 3.125 -12.444 1.00 63.32 C ATOM 648 C LYS A 40 -15.524 1.830 -12.390 1.00 15.11 C ATOM 649 O LYS A 40 -14.998 0.775 -12.036 1.00 1.14 O ATOM 650 CB LYS A 40 -14.024 3.249 -13.802 1.00 33.22 C ATOM 651 CG LYS A 40 -13.638 4.673 -14.159 1.00 43.52 C ATOM 652 CD LYS A 40 -12.141 4.804 -14.389 1.00 13.44 C ATOM 653 CE LYS A 40 -11.369 4.741 -13.080 1.00 11.23 C ATOM 654 NZ LYS A 40 -9.909 4.556 -13.306 1.00 21.54 N ATOM 0 H LYS A 40 -13.019 2.451 -11.420 1.00 41.32 H new ATOM 0 HA LYS A 40 -15.405 3.963 -12.315 1.00 63.32 H new ATOM 0 HB2 LYS A 40 -13.128 2.628 -13.800 1.00 33.22 H new ATOM 0 HB3 LYS A 40 -14.683 2.855 -14.576 1.00 33.22 H new ATOM 0 HG2 LYS A 40 -14.173 4.982 -15.057 1.00 43.52 H new ATOM 0 HG3 LYS A 40 -13.944 5.346 -13.358 1.00 43.52 H new ATOM 0 HD2 LYS A 40 -11.802 4.007 -15.051 1.00 13.44 H new ATOM 0 HD3 LYS A 40 -11.930 5.748 -14.892 1.00 13.44 H new ATOM 0 HE2 LYS A 40 -11.536 5.658 -12.515 1.00 11.23 H new ATOM 0 HE3 LYS A 40 -11.750 3.920 -12.473 1.00 11.23 H new ATOM 0 HZ1 LYS A 40 -9.543 3.841 -12.645 1.00 21.54 H new ATOM 0 HZ2 LYS A 40 -9.746 4.240 -14.283 1.00 21.54 H new ATOM 0 HZ3 LYS A 40 -9.416 5.458 -13.147 1.00 21.54 H new ATOM 668 N ASP A 41 -16.802 1.918 -12.744 1.00 63.43 N ATOM 669 CA ASP A 41 -17.678 0.752 -12.738 1.00 55.33 C ATOM 670 C ASP A 41 -19.090 1.132 -13.174 1.00 13.32 C ATOM 671 O ASP A 41 -19.782 1.883 -12.487 1.00 43.20 O ATOM 672 CB ASP A 41 -17.714 0.121 -11.346 1.00 5.04 C ATOM 673 CG ASP A 41 -18.254 1.069 -10.293 1.00 41.45 C ATOM 674 OD1 ASP A 41 -17.658 2.151 -10.107 1.00 52.33 O ATOM 675 OD2 ASP A 41 -19.273 0.730 -9.657 1.00 1.12 O ATOM 0 H ASP A 41 -17.254 2.784 -13.038 1.00 63.43 H new ATOM 0 HA ASP A 41 -17.280 0.026 -13.447 1.00 55.33 H new ATOM 0 HB2 ASP A 41 -18.332 -0.777 -11.373 1.00 5.04 H new ATOM 0 HB3 ASP A 41 -16.708 -0.193 -11.067 1.00 5.04 H new ATOM 680 N GLY A 42 -19.512 0.609 -14.321 1.00 65.31 N ATOM 681 CA GLY A 42 -20.838 0.905 -14.829 1.00 51.42 C ATOM 682 C GLY A 42 -20.947 0.692 -16.326 1.00 21.41 C ATOM 683 O GLY A 42 -21.664 1.418 -17.014 1.00 41.23 O ATOM 0 H GLY A 42 -18.958 -0.015 -14.908 1.00 65.31 H new ATOM 0 HA2 GLY A 42 -21.567 0.274 -14.321 1.00 51.42 H new ATOM 0 HA3 GLY A 42 -21.092 1.938 -14.593 1.00 51.42 H new ATOM 687 N LYS A 43 -20.232 -0.307 -16.833 1.00 35.43 N ATOM 688 CA LYS A 43 -20.251 -0.616 -18.258 1.00 4.33 C ATOM 689 C LYS A 43 -19.672 0.537 -19.071 1.00 43.33 C ATOM 690 O LYS A 43 -19.863 1.705 -18.735 1.00 32.05 O ATOM 691 CB LYS A 43 -21.680 -0.912 -18.718 1.00 43.23 C ATOM 692 CG LYS A 43 -21.757 -1.917 -19.854 1.00 63.31 C ATOM 693 CD LYS A 43 -23.145 -2.524 -19.969 1.00 31.04 C ATOM 694 CE LYS A 43 -23.213 -3.889 -19.302 1.00 73.51 C ATOM 695 NZ LYS A 43 -23.445 -4.979 -20.291 1.00 43.50 N ATOM 0 H LYS A 43 -19.632 -0.917 -16.278 1.00 35.43 H new ATOM 0 HA LYS A 43 -19.634 -1.499 -18.422 1.00 4.33 H new ATOM 0 HB2 LYS A 43 -22.255 -1.288 -17.872 1.00 43.23 H new ATOM 0 HB3 LYS A 43 -22.151 0.019 -19.035 1.00 43.23 H new ATOM 0 HG2 LYS A 43 -21.494 -1.428 -20.792 1.00 63.31 H new ATOM 0 HG3 LYS A 43 -21.025 -2.708 -19.691 1.00 63.31 H new ATOM 0 HD2 LYS A 43 -23.874 -1.857 -19.510 1.00 31.04 H new ATOM 0 HD3 LYS A 43 -23.416 -2.618 -21.021 1.00 31.04 H new ATOM 0 HE2 LYS A 43 -22.283 -4.078 -18.765 1.00 73.51 H new ATOM 0 HE3 LYS A 43 -24.014 -3.893 -18.563 1.00 73.51 H new ATOM 0 HZ1 LYS A 43 -23.434 -5.898 -19.804 1.00 43.50 H new ATOM 0 HZ2 LYS A 43 -24.368 -4.841 -20.750 1.00 43.50 H new ATOM 0 HZ3 LYS A 43 -22.695 -4.960 -21.011 1.00 43.50 H new ATOM 709 N GLY A 44 -18.963 0.201 -20.145 1.00 55.23 N ATOM 710 CA GLY A 44 -18.369 1.220 -20.991 1.00 10.14 C ATOM 711 C GLY A 44 -17.477 0.633 -22.067 1.00 33.14 C ATOM 712 O GLY A 44 -17.313 1.221 -23.135 1.00 23.24 O ATOM 0 H GLY A 44 -18.790 -0.759 -20.444 1.00 55.23 H new ATOM 0 HA2 GLY A 44 -19.160 1.806 -21.459 1.00 10.14 H new ATOM 0 HA3 GLY A 44 -17.787 1.905 -20.375 1.00 10.14 H new ATOM 716 N ASN A 45 -16.899 -0.530 -21.784 1.00 42.11 N ATOM 717 CA ASN A 45 -16.017 -1.196 -22.736 1.00 3.24 C ATOM 718 C ASN A 45 -14.701 -0.437 -22.881 1.00 30.13 C ATOM 719 O ASN A 45 -14.421 0.490 -22.122 1.00 4.21 O ATOM 720 CB ASN A 45 -16.701 -1.317 -24.099 1.00 32.45 C ATOM 721 CG ASN A 45 -16.538 -2.697 -24.706 1.00 72.23 C ATOM 722 OD1 ASN A 45 -15.451 -3.068 -25.149 1.00 21.34 O ATOM 723 ND2 ASN A 45 -17.622 -3.464 -24.731 1.00 23.51 N ATOM 0 H ASN A 45 -17.025 -1.030 -20.904 1.00 42.11 H new ATOM 0 HA ASN A 45 -15.801 -2.194 -22.356 1.00 3.24 H new ATOM 0 HB2 ASN A 45 -17.762 -1.093 -23.991 1.00 32.45 H new ATOM 0 HB3 ASN A 45 -16.286 -0.573 -24.778 1.00 32.45 H new ATOM 0 HD21 ASN A 45 -17.574 -4.402 -25.129 1.00 23.51 H new ATOM 0 HD22 ASN A 45 -18.502 -3.115 -24.352 1.00 23.51 H new ATOM 730 N ALA A 46 -13.898 -0.838 -23.861 1.00 53.22 N ATOM 731 CA ALA A 46 -12.614 -0.194 -24.108 1.00 22.42 C ATOM 732 C ALA A 46 -12.780 1.310 -24.292 1.00 42.23 C ATOM 733 O ALA A 46 -11.891 2.089 -23.948 1.00 0.23 O ATOM 734 CB ALA A 46 -11.943 -0.807 -25.328 1.00 45.12 C ATOM 0 H ALA A 46 -14.114 -1.606 -24.497 1.00 53.22 H new ATOM 0 HA ALA A 46 -11.979 -0.358 -23.237 1.00 22.42 H new ATOM 0 HB1 ALA A 46 -10.985 -0.317 -25.501 1.00 45.12 H new ATOM 0 HB2 ALA A 46 -11.780 -1.871 -25.158 1.00 45.12 H new ATOM 0 HB3 ALA A 46 -12.582 -0.673 -26.201 1.00 45.12 H new ATOM 740 N ASP A 47 -13.922 1.712 -24.838 1.00 73.12 N ATOM 741 CA ASP A 47 -14.205 3.124 -25.068 1.00 42.02 C ATOM 742 C ASP A 47 -13.902 3.949 -23.821 1.00 73.11 C ATOM 743 O ASP A 47 -13.150 4.921 -23.876 1.00 50.15 O ATOM 744 CB ASP A 47 -15.666 3.314 -25.478 1.00 71.51 C ATOM 745 CG ASP A 47 -15.814 4.194 -26.703 1.00 72.14 C ATOM 746 OD1 ASP A 47 -15.523 3.712 -27.818 1.00 52.30 O ATOM 747 OD2 ASP A 47 -16.220 5.365 -26.548 1.00 33.24 O ATOM 0 H ASP A 47 -14.667 1.080 -25.130 1.00 73.12 H new ATOM 0 HA ASP A 47 -13.561 3.471 -25.877 1.00 42.02 H new ATOM 0 HB2 ASP A 47 -16.114 2.340 -25.677 1.00 71.51 H new ATOM 0 HB3 ASP A 47 -16.219 3.755 -24.648 1.00 71.51 H new ATOM 752 N GLU A 48 -14.495 3.554 -22.698 1.00 43.14 N ATOM 753 CA GLU A 48 -14.289 4.259 -21.438 1.00 74.15 C ATOM 754 C GLU A 48 -13.003 3.797 -20.760 1.00 44.33 C ATOM 755 O GLU A 48 -12.269 4.600 -20.184 1.00 1.52 O ATOM 756 CB GLU A 48 -15.480 4.036 -20.504 1.00 20.43 C ATOM 757 CG GLU A 48 -16.816 4.415 -21.119 1.00 75.31 C ATOM 758 CD GLU A 48 -17.118 5.896 -20.993 1.00 63.52 C ATOM 759 OE1 GLU A 48 -16.698 6.503 -19.987 1.00 3.53 O ATOM 760 OE2 GLU A 48 -17.774 6.446 -21.902 1.00 45.23 O ATOM 0 H GLU A 48 -15.121 2.751 -22.635 1.00 43.14 H new ATOM 0 HA GLU A 48 -14.201 5.323 -21.656 1.00 74.15 H new ATOM 0 HB2 GLU A 48 -15.509 2.987 -20.211 1.00 20.43 H new ATOM 0 HB3 GLU A 48 -15.331 4.617 -19.594 1.00 20.43 H new ATOM 0 HG2 GLU A 48 -16.819 4.136 -22.173 1.00 75.31 H new ATOM 0 HG3 GLU A 48 -17.609 3.844 -20.636 1.00 75.31 H new ATOM 767 N PHE A 49 -12.736 2.497 -20.833 1.00 41.41 N ATOM 768 CA PHE A 49 -11.539 1.927 -20.225 1.00 51.43 C ATOM 769 C PHE A 49 -10.287 2.661 -20.698 1.00 71.50 C ATOM 770 O PHE A 49 -9.354 2.880 -19.925 1.00 73.22 O ATOM 771 CB PHE A 49 -11.430 0.439 -20.562 1.00 61.11 C ATOM 772 CG PHE A 49 -10.465 -0.305 -19.684 1.00 32.33 C ATOM 773 CD1 PHE A 49 -9.110 -0.019 -19.723 1.00 20.31 C ATOM 774 CD2 PHE A 49 -10.914 -1.290 -18.819 1.00 25.24 C ATOM 775 CE1 PHE A 49 -8.220 -0.703 -18.916 1.00 72.22 C ATOM 776 CE2 PHE A 49 -10.028 -1.977 -18.009 1.00 74.21 C ATOM 777 CZ PHE A 49 -8.680 -1.682 -18.057 1.00 70.44 C ATOM 0 H PHE A 49 -13.332 1.819 -21.307 1.00 41.41 H new ATOM 0 HA PHE A 49 -11.620 2.042 -19.144 1.00 51.43 H new ATOM 0 HB2 PHE A 49 -12.416 -0.018 -20.474 1.00 61.11 H new ATOM 0 HB3 PHE A 49 -11.120 0.332 -21.601 1.00 61.11 H new ATOM 0 HD1 PHE A 49 -8.745 0.747 -20.391 1.00 20.31 H new ATOM 0 HD2 PHE A 49 -11.968 -1.524 -18.777 1.00 25.24 H new ATOM 0 HE1 PHE A 49 -7.166 -0.472 -18.957 1.00 72.22 H new ATOM 0 HE2 PHE A 49 -10.390 -2.743 -17.340 1.00 74.21 H new ATOM 0 HZ PHE A 49 -7.987 -2.216 -17.424 1.00 70.44 H new ATOM 787 N ARG A 50 -10.275 3.036 -21.973 1.00 4.33 N ATOM 788 CA ARG A 50 -9.137 3.743 -22.550 1.00 34.12 C ATOM 789 C ARG A 50 -9.273 5.249 -22.345 1.00 65.05 C ATOM 790 O ARG A 50 -8.318 6.000 -22.541 1.00 12.31 O ATOM 791 CB ARG A 50 -9.018 3.429 -24.042 1.00 74.52 C ATOM 792 CG ARG A 50 -9.996 4.206 -24.908 1.00 71.02 C ATOM 793 CD ARG A 50 -10.155 3.568 -26.279 1.00 70.24 C ATOM 794 NE ARG A 50 -10.721 4.497 -27.253 1.00 44.44 N ATOM 795 CZ ARG A 50 -11.021 4.160 -28.503 1.00 0.23 C ATOM 796 NH1 ARG A 50 -10.811 2.922 -28.927 1.00 72.22 N ATOM 797 NH2 ARG A 50 -11.533 5.063 -29.330 1.00 22.50 N ATOM 0 H ARG A 50 -11.039 2.862 -22.626 1.00 4.33 H new ATOM 0 HA ARG A 50 -8.234 3.404 -22.042 1.00 34.12 H new ATOM 0 HB2 ARG A 50 -8.002 3.647 -24.371 1.00 74.52 H new ATOM 0 HB3 ARG A 50 -9.180 2.362 -24.194 1.00 74.52 H new ATOM 0 HG2 ARG A 50 -10.966 4.252 -24.412 1.00 71.02 H new ATOM 0 HG3 ARG A 50 -9.647 5.232 -25.021 1.00 71.02 H new ATOM 0 HD2 ARG A 50 -9.184 3.220 -26.632 1.00 70.24 H new ATOM 0 HD3 ARG A 50 -10.798 2.691 -26.198 1.00 70.24 H new ATOM 0 HE ARG A 50 -10.896 5.458 -26.958 1.00 44.44 H new ATOM 0 HH11 ARG A 50 -10.418 2.226 -28.293 1.00 72.22 H new ATOM 0 HH12 ARG A 50 -11.042 2.666 -29.887 1.00 72.22 H new ATOM 0 HH21 ARG A 50 -11.696 6.016 -29.006 1.00 22.50 H new ATOM 0 HH22 ARG A 50 -11.763 4.804 -30.289 1.00 22.50 H new ATOM 811 N GLY A 51 -10.466 5.683 -21.951 1.00 60.02 N ATOM 812 CA GLY A 51 -10.704 7.097 -21.728 1.00 34.13 C ATOM 813 C GLY A 51 -10.907 7.426 -20.262 1.00 2.20 C ATOM 814 O GLY A 51 -11.290 8.543 -19.917 1.00 54.42 O ATOM 0 H GLY A 51 -11.272 5.081 -21.782 1.00 60.02 H new ATOM 0 HA2 GLY A 51 -9.860 7.670 -22.112 1.00 34.13 H new ATOM 0 HA3 GLY A 51 -11.583 7.408 -22.292 1.00 34.13 H new ATOM 818 N ALA A 52 -10.650 6.450 -19.397 1.00 2.50 N ATOM 819 CA ALA A 52 -10.806 6.642 -17.961 1.00 3.45 C ATOM 820 C ALA A 52 -9.528 6.272 -17.215 1.00 42.33 C ATOM 821 O ALA A 52 -9.559 5.964 -16.023 1.00 51.11 O ATOM 822 CB ALA A 52 -11.978 5.822 -17.443 1.00 25.25 C ATOM 0 H ALA A 52 -10.333 5.519 -19.666 1.00 2.50 H new ATOM 0 HA ALA A 52 -11.008 7.698 -17.781 1.00 3.45 H new ATOM 0 HB1 ALA A 52 -12.083 5.975 -16.369 1.00 25.25 H new ATOM 0 HB2 ALA A 52 -12.893 6.137 -17.945 1.00 25.25 H new ATOM 0 HB3 ALA A 52 -11.800 4.765 -17.643 1.00 25.25 H new ATOM 828 N LEU A 53 -8.405 6.304 -17.924 1.00 61.24 N ATOM 829 CA LEU A 53 -7.115 5.971 -17.330 1.00 20.31 C ATOM 830 C LEU A 53 -6.139 7.136 -17.458 1.00 52.10 C ATOM 831 O LEU A 53 -5.469 7.307 -18.476 1.00 44.23 O ATOM 832 CB LEU A 53 -6.530 4.725 -17.998 1.00 1.04 C ATOM 833 CG LEU A 53 -6.952 3.382 -17.400 1.00 1.31 C ATOM 834 CD1 LEU A 53 -6.193 3.110 -16.110 1.00 53.12 C ATOM 835 CD2 LEU A 53 -8.453 3.357 -17.153 1.00 73.43 C ATOM 0 H LEU A 53 -8.362 6.557 -18.911 1.00 61.24 H new ATOM 0 HA LEU A 53 -7.272 5.768 -16.271 1.00 20.31 H new ATOM 0 HB2 LEU A 53 -6.812 4.736 -19.051 1.00 1.04 H new ATOM 0 HB3 LEU A 53 -5.443 4.792 -17.958 1.00 1.04 H new ATOM 0 HG LEU A 53 -6.708 2.595 -18.114 1.00 1.31 H new ATOM 0 HD11 LEU A 53 -6.506 2.150 -15.699 1.00 53.12 H new ATOM 0 HD12 LEU A 53 -5.123 3.085 -16.316 1.00 53.12 H new ATOM 0 HD13 LEU A 53 -6.405 3.900 -15.390 1.00 53.12 H new ATOM 0 HD21 LEU A 53 -8.736 2.394 -16.727 1.00 73.43 H new ATOM 0 HD22 LEU A 53 -8.721 4.153 -16.459 1.00 73.43 H new ATOM 0 HD23 LEU A 53 -8.979 3.506 -18.096 1.00 73.43 H new ATOM 847 N PRO A 54 -6.055 7.957 -16.400 1.00 61.34 N ATOM 848 CA PRO A 54 -5.162 9.119 -16.369 1.00 63.42 C ATOM 849 C PRO A 54 -3.692 8.718 -16.299 1.00 40.24 C ATOM 850 O PRO A 54 -3.352 7.658 -15.775 1.00 50.03 O ATOM 851 CB PRO A 54 -5.577 9.851 -15.091 1.00 55.42 C ATOM 852 CG PRO A 54 -6.167 8.794 -14.223 1.00 23.02 C ATOM 853 CD PRO A 54 -6.825 7.813 -15.153 1.00 43.13 C ATOM 0 HA PRO A 54 -5.249 9.725 -17.271 1.00 63.42 H new ATOM 0 HB2 PRO A 54 -4.721 10.325 -14.611 1.00 55.42 H new ATOM 0 HB3 PRO A 54 -6.300 10.638 -15.303 1.00 55.42 H new ATOM 0 HG2 PRO A 54 -5.398 8.307 -13.623 1.00 23.02 H new ATOM 0 HG3 PRO A 54 -6.891 9.219 -13.528 1.00 23.02 H new ATOM 0 HD2 PRO A 54 -6.775 6.796 -14.765 1.00 43.13 H new ATOM 0 HD3 PRO A 54 -7.879 8.046 -15.302 1.00 43.13 H new ATOM 861 N ALA A 55 -2.825 9.573 -16.831 1.00 4.51 N ATOM 862 CA ALA A 55 -1.391 9.310 -16.826 1.00 71.53 C ATOM 863 C ALA A 55 -0.766 9.697 -15.491 1.00 22.14 C ATOM 864 O ALA A 55 0.407 9.422 -15.241 1.00 1.41 O ATOM 865 CB ALA A 55 -0.713 10.057 -17.965 1.00 72.12 C ATOM 0 H ALA A 55 -3.091 10.454 -17.271 1.00 4.51 H new ATOM 0 HA ALA A 55 -1.243 8.240 -16.969 1.00 71.53 H new ATOM 0 HB1 ALA A 55 0.357 9.851 -17.949 1.00 72.12 H new ATOM 0 HB2 ALA A 55 -1.132 9.728 -18.916 1.00 72.12 H new ATOM 0 HB3 ALA A 55 -0.878 11.128 -17.847 1.00 72.12 H new ATOM 871 N ASN A 56 -1.557 10.337 -14.636 1.00 2.23 N ATOM 872 CA ASN A 56 -1.080 10.764 -13.325 1.00 64.32 C ATOM 873 C ASN A 56 -0.817 9.561 -12.424 1.00 32.01 C ATOM 874 O ASN A 56 -0.016 9.634 -11.492 1.00 62.42 O ATOM 875 CB ASN A 56 -2.099 11.696 -12.667 1.00 24.12 C ATOM 876 CG ASN A 56 -2.667 12.711 -13.640 1.00 31.41 C ATOM 877 OD1 ASN A 56 -1.939 13.542 -14.183 1.00 14.13 O ATOM 878 ND2 ASN A 56 -3.974 12.647 -13.865 1.00 34.43 N ATOM 0 H ASN A 56 -2.531 10.571 -14.827 1.00 2.23 H new ATOM 0 HA ASN A 56 -0.143 11.303 -13.464 1.00 64.32 H new ATOM 0 HB2 ASN A 56 -2.912 11.103 -12.249 1.00 24.12 H new ATOM 0 HB3 ASN A 56 -1.626 12.219 -11.836 1.00 24.12 H new ATOM 0 HD21 ASN A 56 -4.413 13.304 -14.510 1.00 34.43 H new ATOM 0 HD22 ASN A 56 -4.539 11.941 -13.393 1.00 34.43 H new ATOM 885 N ASP A 57 -1.498 8.456 -12.709 1.00 5.05 N ATOM 886 CA ASP A 57 -1.337 7.236 -11.925 1.00 53.42 C ATOM 887 C ASP A 57 -1.928 6.037 -12.660 1.00 44.02 C ATOM 888 O ASP A 57 -2.959 6.150 -13.325 1.00 24.45 O ATOM 889 CB ASP A 57 -2.005 7.392 -10.558 1.00 21.40 C ATOM 890 CG ASP A 57 -1.008 7.336 -9.417 1.00 40.22 C ATOM 891 OD1 ASP A 57 -0.518 6.229 -9.110 1.00 13.02 O ATOM 892 OD2 ASP A 57 -0.717 8.400 -8.832 1.00 44.23 O ATOM 0 H ASP A 57 -2.166 8.380 -13.476 1.00 5.05 H new ATOM 0 HA ASP A 57 -0.270 7.062 -11.782 1.00 53.42 H new ATOM 0 HB2 ASP A 57 -2.539 8.342 -10.524 1.00 21.40 H new ATOM 0 HB3 ASP A 57 -2.747 6.604 -10.427 1.00 21.40 H new ATOM 897 N CYS A 58 -1.267 4.891 -12.537 1.00 53.04 N ATOM 898 CA CYS A 58 -1.726 3.671 -13.192 1.00 24.42 C ATOM 899 C CYS A 58 -2.896 3.053 -12.433 1.00 2.41 C ATOM 900 O CYS A 58 -3.198 3.452 -11.308 1.00 33.40 O ATOM 901 CB CYS A 58 -0.581 2.662 -13.296 1.00 3.11 C ATOM 902 SG CYS A 58 -0.025 2.009 -11.704 1.00 1.41 S ATOM 0 H CYS A 58 -0.413 4.781 -11.991 1.00 53.04 H new ATOM 0 HA CYS A 58 -2.064 3.932 -14.195 1.00 24.42 H new ATOM 0 HB2 CYS A 58 -0.899 1.831 -13.926 1.00 3.11 H new ATOM 0 HB3 CYS A 58 0.263 3.137 -13.797 1.00 3.11 H new ATOM 0 HG CYS A 58 -1.032 1.477 -11.077 1.00 1.41 H new ATOM 908 N ARG A 59 -3.551 2.080 -13.057 1.00 14.13 N ATOM 909 CA ARG A 59 -4.691 1.410 -12.441 1.00 64.24 C ATOM 910 C ARG A 59 -4.988 0.088 -13.144 1.00 10.24 C ATOM 911 O ARG A 59 -4.574 -0.128 -14.283 1.00 34.51 O ATOM 912 CB ARG A 59 -5.925 2.312 -12.485 1.00 51.14 C ATOM 913 CG ARG A 59 -6.288 2.915 -11.138 1.00 25.42 C ATOM 914 CD ARG A 59 -6.680 4.378 -11.269 1.00 71.22 C ATOM 915 NE ARG A 59 -6.258 5.164 -10.113 1.00 32.42 N ATOM 916 CZ ARG A 59 -6.135 6.486 -10.128 1.00 53.22 C ATOM 917 NH1 ARG A 59 -6.401 7.167 -11.234 1.00 51.14 N ATOM 918 NH2 ARG A 59 -5.746 7.130 -9.035 1.00 52.44 N ATOM 0 H ARG A 59 -3.313 1.738 -13.988 1.00 14.13 H new ATOM 0 HA ARG A 59 -4.440 1.201 -11.401 1.00 64.24 H new ATOM 0 HB2 ARG A 59 -5.751 3.117 -13.199 1.00 51.14 H new ATOM 0 HB3 ARG A 59 -6.773 1.736 -12.856 1.00 51.14 H new ATOM 0 HG2 ARG A 59 -7.113 2.354 -10.698 1.00 25.42 H new ATOM 0 HG3 ARG A 59 -5.441 2.824 -10.457 1.00 25.42 H new ATOM 0 HD2 ARG A 59 -6.233 4.793 -12.172 1.00 71.22 H new ATOM 0 HD3 ARG A 59 -7.761 4.455 -11.384 1.00 71.22 H new ATOM 0 HE ARG A 59 -6.046 4.670 -9.246 1.00 32.42 H new ATOM 0 HH11 ARG A 59 -6.701 6.675 -12.076 1.00 51.14 H new ATOM 0 HH12 ARG A 59 -6.306 8.183 -11.243 1.00 51.14 H new ATOM 0 HH21 ARG A 59 -5.541 6.609 -8.182 1.00 52.44 H new ATOM 0 HH22 ARG A 59 -5.652 8.146 -9.048 1.00 52.44 H new ATOM 932 N PHE A 60 -5.707 -0.793 -12.456 1.00 14.51 N ATOM 933 CA PHE A 60 -6.059 -2.094 -13.013 1.00 10.44 C ATOM 934 C PHE A 60 -7.553 -2.172 -13.311 1.00 15.33 C ATOM 935 O PHE A 60 -8.358 -1.478 -12.691 1.00 14.02 O ATOM 936 CB PHE A 60 -5.661 -3.210 -12.045 1.00 74.31 C ATOM 937 CG PHE A 60 -4.961 -2.714 -10.813 1.00 22.44 C ATOM 938 CD1 PHE A 60 -5.673 -2.103 -9.794 1.00 12.15 C ATOM 939 CD2 PHE A 60 -3.590 -2.860 -10.673 1.00 31.12 C ATOM 940 CE1 PHE A 60 -5.031 -1.645 -8.659 1.00 3.02 C ATOM 941 CE2 PHE A 60 -2.942 -2.405 -9.540 1.00 52.50 C ATOM 942 CZ PHE A 60 -3.664 -1.797 -8.531 1.00 62.13 C ATOM 0 H PHE A 60 -6.057 -0.630 -11.512 1.00 14.51 H new ATOM 0 HA PHE A 60 -5.514 -2.221 -13.948 1.00 10.44 H new ATOM 0 HB2 PHE A 60 -6.555 -3.759 -11.749 1.00 74.31 H new ATOM 0 HB3 PHE A 60 -5.011 -3.915 -12.563 1.00 74.31 H new ATOM 0 HD1 PHE A 60 -6.742 -1.983 -9.887 1.00 12.15 H new ATOM 0 HD2 PHE A 60 -3.021 -3.335 -11.459 1.00 31.12 H new ATOM 0 HE1 PHE A 60 -5.598 -1.169 -7.873 1.00 3.02 H new ATOM 0 HE2 PHE A 60 -1.873 -2.525 -9.444 1.00 52.50 H new ATOM 0 HZ PHE A 60 -3.161 -1.441 -7.644 1.00 62.13 H new ATOM 952 N GLY A 61 -7.917 -3.022 -14.266 1.00 62.21 N ATOM 953 CA GLY A 61 -9.313 -3.176 -14.631 1.00 40.41 C ATOM 954 C GLY A 61 -9.737 -4.629 -14.704 1.00 61.12 C ATOM 955 O GLY A 61 -8.980 -5.481 -15.170 1.00 33.43 O ATOM 0 H GLY A 61 -7.269 -3.607 -14.794 1.00 62.21 H new ATOM 0 HA2 GLY A 61 -9.935 -2.656 -13.903 1.00 40.41 H new ATOM 0 HA3 GLY A 61 -9.487 -2.701 -15.597 1.00 40.41 H new ATOM 959 N VAL A 62 -10.950 -4.914 -14.242 1.00 30.25 N ATOM 960 CA VAL A 62 -11.473 -6.275 -14.256 1.00 14.11 C ATOM 961 C VAL A 62 -12.523 -6.449 -15.348 1.00 42.41 C ATOM 962 O VAL A 62 -13.476 -5.675 -15.436 1.00 52.52 O ATOM 963 CB VAL A 62 -12.095 -6.652 -12.898 1.00 3.42 C ATOM 964 CG1 VAL A 62 -11.725 -8.077 -12.518 1.00 62.43 C ATOM 965 CG2 VAL A 62 -11.653 -5.673 -11.820 1.00 42.24 C ATOM 0 H VAL A 62 -11.589 -4.221 -13.853 1.00 30.25 H new ATOM 0 HA VAL A 62 -10.630 -6.936 -14.457 1.00 14.11 H new ATOM 0 HB VAL A 62 -13.180 -6.595 -12.987 1.00 3.42 H new ATOM 0 HG11 VAL A 62 -12.173 -8.325 -11.556 1.00 62.43 H new ATOM 0 HG12 VAL A 62 -12.095 -8.764 -13.279 1.00 62.43 H new ATOM 0 HG13 VAL A 62 -10.641 -8.165 -12.446 1.00 62.43 H new ATOM 0 HG21 VAL A 62 -12.102 -5.954 -10.867 1.00 42.24 H new ATOM 0 HG22 VAL A 62 -10.567 -5.696 -11.731 1.00 42.24 H new ATOM 0 HG23 VAL A 62 -11.974 -4.667 -12.089 1.00 42.24 H new ATOM 975 N TYR A 63 -12.341 -7.470 -16.178 1.00 52.41 N ATOM 976 CA TYR A 63 -13.271 -7.744 -17.267 1.00 34.43 C ATOM 977 C TYR A 63 -13.406 -9.246 -17.503 1.00 5.33 C ATOM 978 O TYR A 63 -12.444 -9.914 -17.881 1.00 25.40 O ATOM 979 CB TYR A 63 -12.806 -7.055 -18.550 1.00 45.30 C ATOM 980 CG TYR A 63 -13.385 -7.661 -19.808 1.00 60.20 C ATOM 981 CD1 TYR A 63 -14.739 -7.549 -20.097 1.00 51.54 C ATOM 982 CD2 TYR A 63 -12.578 -8.346 -20.708 1.00 24.31 C ATOM 983 CE1 TYR A 63 -15.273 -8.102 -21.245 1.00 43.22 C ATOM 984 CE2 TYR A 63 -13.102 -8.902 -21.859 1.00 13.51 C ATOM 985 CZ TYR A 63 -14.450 -8.777 -22.123 1.00 34.11 C ATOM 986 OH TYR A 63 -14.978 -9.328 -23.268 1.00 61.40 O ATOM 0 H TYR A 63 -11.558 -8.121 -16.118 1.00 52.41 H new ATOM 0 HA TYR A 63 -14.247 -7.349 -16.985 1.00 34.43 H new ATOM 0 HB2 TYR A 63 -13.080 -6.001 -18.506 1.00 45.30 H new ATOM 0 HB3 TYR A 63 -11.718 -7.100 -18.603 1.00 45.30 H new ATOM 0 HD1 TYR A 63 -15.386 -7.020 -19.412 1.00 51.54 H new ATOM 0 HD2 TYR A 63 -11.522 -8.446 -20.504 1.00 24.31 H new ATOM 0 HE1 TYR A 63 -16.328 -8.007 -21.454 1.00 43.22 H new ATOM 0 HE2 TYR A 63 -12.460 -9.431 -22.548 1.00 13.51 H new ATOM 0 HH TYR A 63 -14.266 -9.767 -23.778 1.00 61.40 H new ATOM 996 N ASP A 64 -14.606 -9.768 -17.277 1.00 62.32 N ATOM 997 CA ASP A 64 -14.869 -11.190 -17.466 1.00 65.24 C ATOM 998 C ASP A 64 -14.589 -11.608 -18.907 1.00 4.42 C ATOM 999 O ASP A 64 -15.397 -11.363 -19.803 1.00 15.23 O ATOM 1000 CB ASP A 64 -16.317 -11.516 -17.100 1.00 73.23 C ATOM 1001 CG ASP A 64 -17.314 -10.698 -17.898 1.00 30.22 C ATOM 1002 OD1 ASP A 64 -17.586 -9.546 -17.502 1.00 54.33 O ATOM 1003 OD2 ASP A 64 -17.822 -11.211 -18.917 1.00 34.01 O ATOM 0 H ASP A 64 -15.412 -9.228 -16.963 1.00 62.32 H new ATOM 0 HA ASP A 64 -14.202 -11.748 -16.809 1.00 65.24 H new ATOM 0 HB2 ASP A 64 -16.502 -12.577 -17.271 1.00 73.23 H new ATOM 0 HB3 ASP A 64 -16.470 -11.333 -16.036 1.00 73.23 H new ATOM 1008 N CYS A 65 -13.439 -12.237 -19.122 1.00 21.11 N ATOM 1009 CA CYS A 65 -13.051 -12.687 -20.454 1.00 51.22 C ATOM 1010 C CYS A 65 -13.586 -14.088 -20.732 1.00 53.34 C ATOM 1011 O CYS A 65 -13.482 -14.593 -21.849 1.00 43.12 O ATOM 1012 CB CYS A 65 -11.528 -12.672 -20.597 1.00 55.22 C ATOM 1013 SG CYS A 65 -10.949 -12.464 -22.297 1.00 63.32 S ATOM 0 H CYS A 65 -12.759 -12.447 -18.391 1.00 21.11 H new ATOM 0 HA CYS A 65 -13.484 -12.001 -21.182 1.00 51.22 H new ATOM 0 HB2 CYS A 65 -11.124 -11.865 -19.986 1.00 55.22 H new ATOM 0 HB3 CYS A 65 -11.127 -13.604 -20.199 1.00 55.22 H new ATOM 0 HG CYS A 65 -9.649 -12.462 -22.316 1.00 63.32 H new ATOM 1019 N GLY A 66 -14.159 -14.711 -19.707 1.00 73.22 N ATOM 1020 CA GLY A 66 -14.701 -16.049 -19.861 1.00 43.22 C ATOM 1021 C GLY A 66 -13.722 -17.124 -19.432 1.00 3.41 C ATOM 1022 O GLY A 66 -14.122 -18.172 -18.929 1.00 75.42 O ATOM 0 H GLY A 66 -14.258 -14.314 -18.773 1.00 73.22 H new ATOM 0 HA2 GLY A 66 -15.614 -16.138 -19.272 1.00 43.22 H new ATOM 0 HA3 GLY A 66 -14.977 -16.208 -20.903 1.00 43.22 H new ATOM 1026 N ASN A 67 -12.434 -16.863 -19.632 1.00 41.10 N ATOM 1027 CA ASN A 67 -11.395 -17.818 -19.264 1.00 3.41 C ATOM 1028 C ASN A 67 -10.474 -17.235 -18.196 1.00 40.41 C ATOM 1029 O ASN A 67 -9.799 -17.969 -17.474 1.00 51.30 O ATOM 1030 CB ASN A 67 -10.578 -18.215 -20.496 1.00 14.34 C ATOM 1031 CG ASN A 67 -11.018 -19.545 -21.076 1.00 41.12 C ATOM 1032 OD1 ASN A 67 -12.212 -19.821 -21.190 1.00 33.03 O ATOM 1033 ND2 ASN A 67 -10.051 -20.377 -21.447 1.00 15.21 N ATOM 0 H ASN A 67 -12.085 -15.999 -20.047 1.00 41.10 H new ATOM 0 HA ASN A 67 -11.880 -18.705 -18.856 1.00 3.41 H new ATOM 0 HB2 ASN A 67 -10.673 -17.440 -21.257 1.00 14.34 H new ATOM 0 HB3 ASN A 67 -9.523 -18.270 -20.227 1.00 14.34 H new ATOM 0 HD21 ASN A 67 -10.285 -21.286 -21.845 1.00 15.21 H new ATOM 0 HD22 ASN A 67 -9.074 -20.106 -21.334 1.00 15.21 H new ATOM 1040 N LYS A 68 -10.452 -15.909 -18.101 1.00 61.52 N ATOM 1041 CA LYS A 68 -9.616 -15.226 -17.121 1.00 54.00 C ATOM 1042 C LYS A 68 -9.872 -13.722 -17.142 1.00 35.42 C ATOM 1043 O LYS A 68 -10.675 -13.231 -17.936 1.00 35.33 O ATOM 1044 CB LYS A 68 -8.137 -15.506 -17.397 1.00 74.02 C ATOM 1045 CG LYS A 68 -7.652 -14.953 -18.726 1.00 25.21 C ATOM 1046 CD LYS A 68 -7.972 -15.897 -19.873 1.00 41.41 C ATOM 1047 CE LYS A 68 -8.991 -15.290 -20.825 1.00 60.25 C ATOM 1048 NZ LYS A 68 -8.713 -15.657 -22.242 1.00 14.22 N ATOM 0 H LYS A 68 -11.004 -15.286 -18.691 1.00 61.52 H new ATOM 0 HA LYS A 68 -9.873 -15.607 -16.133 1.00 54.00 H new ATOM 0 HB2 LYS A 68 -7.538 -15.076 -16.594 1.00 74.02 H new ATOM 0 HB3 LYS A 68 -7.970 -16.583 -17.378 1.00 74.02 H new ATOM 0 HG2 LYS A 68 -8.118 -13.985 -18.910 1.00 25.21 H new ATOM 0 HG3 LYS A 68 -6.576 -14.786 -18.681 1.00 25.21 H new ATOM 0 HD2 LYS A 68 -7.058 -16.132 -20.418 1.00 41.41 H new ATOM 0 HD3 LYS A 68 -8.357 -16.836 -19.476 1.00 41.41 H new ATOM 0 HE2 LYS A 68 -9.990 -15.628 -20.551 1.00 60.25 H new ATOM 0 HE3 LYS A 68 -8.983 -14.205 -20.722 1.00 60.25 H new ATOM 0 HZ1 LYS A 68 -9.429 -15.224 -22.860 1.00 14.22 H new ATOM 0 HZ2 LYS A 68 -7.770 -15.312 -22.511 1.00 14.22 H new ATOM 0 HZ3 LYS A 68 -8.746 -16.691 -22.346 1.00 14.22 H new ATOM 1062 N ILE A 69 -9.185 -12.998 -16.266 1.00 45.42 N ATOM 1063 CA ILE A 69 -9.336 -11.550 -16.187 1.00 33.12 C ATOM 1064 C ILE A 69 -8.059 -10.839 -16.621 1.00 53.21 C ATOM 1065 O ILE A 69 -7.148 -10.636 -15.820 1.00 24.12 O ATOM 1066 CB ILE A 69 -9.702 -11.100 -14.760 1.00 44.30 C ATOM 1067 CG1 ILE A 69 -10.851 -11.948 -14.212 1.00 61.34 C ATOM 1068 CG2 ILE A 69 -10.073 -9.624 -14.749 1.00 73.51 C ATOM 1069 CD1 ILE A 69 -12.013 -12.083 -15.172 1.00 23.34 C ATOM 0 H ILE A 69 -8.518 -13.390 -15.601 1.00 45.42 H new ATOM 0 HA ILE A 69 -10.146 -11.280 -16.864 1.00 33.12 H new ATOM 0 HB ILE A 69 -8.833 -11.241 -14.117 1.00 44.30 H new ATOM 0 HG12 ILE A 69 -10.475 -12.941 -13.968 1.00 61.34 H new ATOM 0 HG13 ILE A 69 -11.208 -11.505 -13.282 1.00 61.34 H new ATOM 0 HG21 ILE A 69 -10.329 -9.321 -13.734 1.00 73.51 H new ATOM 0 HG22 ILE A 69 -9.227 -9.034 -15.102 1.00 73.51 H new ATOM 0 HG23 ILE A 69 -10.929 -9.459 -15.404 1.00 73.51 H new ATOM 0 HD11 ILE A 69 -12.791 -12.697 -14.718 1.00 23.34 H new ATOM 0 HD12 ILE A 69 -12.415 -11.095 -15.397 1.00 23.34 H new ATOM 0 HD13 ILE A 69 -11.671 -12.554 -16.093 1.00 23.34 H new ATOM 1081 N GLN A 70 -8.003 -10.461 -17.894 1.00 44.12 N ATOM 1082 CA GLN A 70 -6.837 -9.771 -18.434 1.00 54.25 C ATOM 1083 C GLN A 70 -6.897 -8.278 -18.126 1.00 22.55 C ATOM 1084 O GLN A 70 -7.685 -7.542 -18.719 1.00 61.01 O ATOM 1085 CB GLN A 70 -6.745 -9.987 -19.946 1.00 34.51 C ATOM 1086 CG GLN A 70 -5.353 -9.754 -20.510 1.00 55.34 C ATOM 1087 CD GLN A 70 -5.301 -8.579 -21.467 1.00 54.03 C ATOM 1088 OE1 GLN A 70 -6.237 -8.346 -22.233 1.00 42.53 O ATOM 1089 NE2 GLN A 70 -4.205 -7.831 -21.428 1.00 63.42 N ATOM 0 H GLN A 70 -8.750 -10.621 -18.570 1.00 44.12 H new ATOM 0 HA GLN A 70 -5.948 -10.187 -17.959 1.00 54.25 H new ATOM 0 HB2 GLN A 70 -7.057 -11.005 -20.179 1.00 34.51 H new ATOM 0 HB3 GLN A 70 -7.446 -9.317 -20.444 1.00 34.51 H new ATOM 0 HG2 GLN A 70 -4.657 -9.581 -19.689 1.00 55.34 H new ATOM 0 HG3 GLN A 70 -5.019 -10.654 -21.027 1.00 55.34 H new ATOM 0 HE21 GLN A 70 -3.454 -8.061 -20.777 1.00 63.42 H new ATOM 0 HE22 GLN A 70 -4.114 -7.027 -22.049 1.00 63.42 H new ATOM 1098 N PHE A 71 -6.059 -7.839 -17.193 1.00 2.44 N ATOM 1099 CA PHE A 71 -6.017 -6.434 -16.804 1.00 0.24 C ATOM 1100 C PHE A 71 -4.714 -5.782 -17.258 1.00 74.05 C ATOM 1101 O PHE A 71 -3.634 -6.351 -17.101 1.00 32.02 O ATOM 1102 CB PHE A 71 -6.166 -6.298 -15.287 1.00 22.12 C ATOM 1103 CG PHE A 71 -4.891 -6.551 -14.534 1.00 43.34 C ATOM 1104 CD1 PHE A 71 -4.001 -5.518 -14.286 1.00 61.03 C ATOM 1105 CD2 PHE A 71 -4.582 -7.821 -14.076 1.00 24.14 C ATOM 1106 CE1 PHE A 71 -2.827 -5.747 -13.594 1.00 3.01 C ATOM 1107 CE2 PHE A 71 -3.409 -8.056 -13.382 1.00 53.13 C ATOM 1108 CZ PHE A 71 -2.530 -7.018 -13.142 1.00 52.12 C ATOM 0 H PHE A 71 -5.400 -8.435 -16.692 1.00 2.44 H new ATOM 0 HA PHE A 71 -6.848 -5.923 -17.291 1.00 0.24 H new ATOM 0 HB2 PHE A 71 -6.523 -5.295 -15.054 1.00 22.12 H new ATOM 0 HB3 PHE A 71 -6.928 -6.997 -14.941 1.00 22.12 H new ATOM 0 HD1 PHE A 71 -4.228 -4.522 -14.638 1.00 61.03 H new ATOM 0 HD2 PHE A 71 -5.265 -8.637 -14.263 1.00 24.14 H new ATOM 0 HE1 PHE A 71 -2.142 -4.933 -13.407 1.00 3.01 H new ATOM 0 HE2 PHE A 71 -3.181 -9.050 -13.028 1.00 53.13 H new ATOM 0 HZ PHE A 71 -1.612 -7.200 -12.602 1.00 52.12 H new ATOM 1118 N VAL A 72 -4.825 -4.584 -17.825 1.00 31.44 N ATOM 1119 CA VAL A 72 -3.657 -3.854 -18.302 1.00 53.24 C ATOM 1120 C VAL A 72 -3.317 -2.694 -17.374 1.00 10.33 C ATOM 1121 O VAL A 72 -4.195 -2.130 -16.719 1.00 21.01 O ATOM 1122 CB VAL A 72 -3.880 -3.309 -19.726 1.00 23.41 C ATOM 1123 CG1 VAL A 72 -2.554 -2.919 -20.361 1.00 51.45 C ATOM 1124 CG2 VAL A 72 -4.608 -4.335 -20.581 1.00 32.54 C ATOM 0 H VAL A 72 -5.712 -4.099 -17.965 1.00 31.44 H new ATOM 0 HA VAL A 72 -2.826 -4.560 -18.316 1.00 53.24 H new ATOM 0 HB VAL A 72 -4.502 -2.416 -19.662 1.00 23.41 H new ATOM 0 HG11 VAL A 72 -2.731 -2.536 -21.366 1.00 51.45 H new ATOM 0 HG12 VAL A 72 -2.075 -2.148 -19.758 1.00 51.45 H new ATOM 0 HG13 VAL A 72 -1.905 -3.793 -20.414 1.00 51.45 H new ATOM 0 HG21 VAL A 72 -4.757 -3.933 -21.583 1.00 32.54 H new ATOM 0 HG22 VAL A 72 -4.014 -5.247 -20.640 1.00 32.54 H new ATOM 0 HG23 VAL A 72 -5.576 -4.561 -20.133 1.00 32.54 H new ATOM 1134 N LEU A 73 -2.037 -2.341 -17.322 1.00 14.25 N ATOM 1135 CA LEU A 73 -1.580 -1.246 -16.473 1.00 23.11 C ATOM 1136 C LEU A 73 -0.818 -0.207 -17.289 1.00 3.43 C ATOM 1137 O LEU A 73 -0.150 -0.540 -18.268 1.00 12.51 O ATOM 1138 CB LEU A 73 -0.690 -1.783 -15.350 1.00 44.44 C ATOM 1139 CG LEU A 73 -1.055 -1.338 -13.934 1.00 21.23 C ATOM 1140 CD1 LEU A 73 -2.395 -1.926 -13.519 1.00 24.24 C ATOM 1141 CD2 LEU A 73 0.034 -1.742 -12.951 1.00 3.24 C ATOM 0 H LEU A 73 -1.298 -2.797 -17.857 1.00 14.25 H new ATOM 0 HA LEU A 73 -2.456 -0.767 -16.036 1.00 23.11 H new ATOM 0 HB2 LEU A 73 -0.713 -2.872 -15.384 1.00 44.44 H new ATOM 0 HB3 LEU A 73 0.337 -1.480 -15.551 1.00 44.44 H new ATOM 0 HG LEU A 73 -1.140 -0.251 -13.925 1.00 21.23 H new ATOM 0 HD11 LEU A 73 -2.639 -1.599 -12.508 1.00 24.24 H new ATOM 0 HD12 LEU A 73 -3.170 -1.587 -14.207 1.00 24.24 H new ATOM 0 HD13 LEU A 73 -2.338 -3.014 -13.544 1.00 24.24 H new ATOM 0 HD21 LEU A 73 -0.243 -1.417 -11.948 1.00 3.24 H new ATOM 0 HD22 LEU A 73 0.151 -2.826 -12.962 1.00 3.24 H new ATOM 0 HD23 LEU A 73 0.975 -1.273 -13.238 1.00 3.24 H new ATOM 1153 N TRP A 74 -0.921 1.052 -16.877 1.00 63.13 N ATOM 1154 CA TRP A 74 -0.239 2.140 -17.569 1.00 51.11 C ATOM 1155 C TRP A 74 0.585 2.973 -16.594 1.00 0.50 C ATOM 1156 O TRP A 74 0.046 3.811 -15.870 1.00 0.32 O ATOM 1157 CB TRP A 74 -1.254 3.030 -18.288 1.00 74.11 C ATOM 1158 CG TRP A 74 -2.551 2.336 -18.580 1.00 4.33 C ATOM 1159 CD1 TRP A 74 -3.565 2.090 -17.699 1.00 3.03 C ATOM 1160 CD2 TRP A 74 -2.970 1.798 -19.838 1.00 55.23 C ATOM 1161 NE1 TRP A 74 -4.590 1.431 -18.334 1.00 3.21 N ATOM 1162 CE2 TRP A 74 -4.250 1.241 -19.647 1.00 51.22 C ATOM 1163 CE3 TRP A 74 -2.391 1.735 -21.108 1.00 72.44 C ATOM 1164 CZ2 TRP A 74 -4.957 0.629 -20.679 1.00 24.32 C ATOM 1165 CZ3 TRP A 74 -3.094 1.126 -22.131 1.00 45.11 C ATOM 1166 CH2 TRP A 74 -4.365 0.580 -21.912 1.00 54.40 C ATOM 0 H TRP A 74 -1.470 1.344 -16.068 1.00 63.13 H new ATOM 0 HA TRP A 74 0.436 1.703 -18.305 1.00 51.11 H new ATOM 0 HB2 TRP A 74 -1.451 3.911 -17.677 1.00 74.11 H new ATOM 0 HB3 TRP A 74 -0.820 3.382 -19.224 1.00 74.11 H new ATOM 0 HD1 TRP A 74 -3.562 2.372 -16.656 1.00 3.03 H new ATOM 0 HE1 TRP A 74 -5.462 1.132 -17.898 1.00 3.21 H new ATOM 0 HE3 TRP A 74 -1.412 2.154 -21.287 1.00 72.44 H new ATOM 0 HZ2 TRP A 74 -5.938 0.208 -20.512 1.00 24.32 H new ATOM 0 HZ3 TRP A 74 -2.655 1.070 -23.116 1.00 45.11 H new ATOM 0 HH2 TRP A 74 -4.888 0.111 -22.732 1.00 54.40 H new ATOM 1177 N CYS A 75 1.892 2.739 -16.580 1.00 64.04 N ATOM 1178 CA CYS A 75 2.791 3.469 -15.693 1.00 31.43 C ATOM 1179 C CYS A 75 2.666 4.973 -15.910 1.00 4.11 C ATOM 1180 O CYS A 75 2.820 5.480 -17.022 1.00 23.44 O ATOM 1181 CB CYS A 75 4.237 3.026 -15.921 1.00 10.14 C ATOM 1182 SG CYS A 75 5.179 2.769 -14.399 1.00 11.12 S ATOM 0 H CYS A 75 2.353 2.049 -17.173 1.00 64.04 H new ATOM 0 HA CYS A 75 2.508 3.245 -14.664 1.00 31.43 H new ATOM 0 HB2 CYS A 75 4.236 2.100 -16.496 1.00 10.14 H new ATOM 0 HB3 CYS A 75 4.744 3.776 -16.527 1.00 10.14 H new ATOM 0 HG CYS A 75 6.388 2.394 -14.695 1.00 11.12 H new ATOM 1188 N PRO A 76 2.379 5.706 -14.824 1.00 42.20 N ATOM 1189 CA PRO A 76 2.226 7.163 -14.870 1.00 43.45 C ATOM 1190 C PRO A 76 3.550 7.877 -15.123 1.00 53.52 C ATOM 1191 O PRO A 76 4.586 7.494 -14.581 1.00 2.14 O ATOM 1192 CB PRO A 76 1.690 7.508 -13.479 1.00 12.31 C ATOM 1193 CG PRO A 76 2.166 6.400 -12.604 1.00 51.41 C ATOM 1194 CD PRO A 76 2.182 5.169 -13.467 1.00 44.11 C ATOM 0 HA PRO A 76 1.573 7.479 -15.683 1.00 43.45 H new ATOM 0 HB2 PRO A 76 2.067 8.472 -13.137 1.00 12.31 H new ATOM 0 HB3 PRO A 76 0.602 7.573 -13.479 1.00 12.31 H new ATOM 0 HG2 PRO A 76 3.160 6.613 -12.210 1.00 51.41 H new ATOM 0 HG3 PRO A 76 1.505 6.268 -11.747 1.00 51.41 H new ATOM 0 HD2 PRO A 76 2.986 4.490 -13.183 1.00 44.11 H new ATOM 0 HD3 PRO A 76 1.249 4.610 -13.387 1.00 44.11 H new ATOM 1202 N ASP A 77 3.507 8.917 -15.949 1.00 43.01 N ATOM 1203 CA ASP A 77 4.703 9.686 -16.272 1.00 65.04 C ATOM 1204 C ASP A 77 4.896 10.833 -15.285 1.00 74.10 C ATOM 1205 O ASP A 77 5.824 11.629 -15.416 1.00 65.42 O ATOM 1206 CB ASP A 77 4.614 10.233 -17.698 1.00 1.32 C ATOM 1207 CG ASP A 77 5.872 9.965 -18.501 1.00 13.11 C ATOM 1208 OD1 ASP A 77 6.890 10.643 -18.251 1.00 24.51 O ATOM 1209 OD2 ASP A 77 5.837 9.078 -19.380 1.00 1.51 O ATOM 0 H ASP A 77 2.657 9.247 -16.407 1.00 43.01 H new ATOM 0 HA ASP A 77 5.563 9.020 -16.199 1.00 65.04 H new ATOM 0 HB2 ASP A 77 3.760 9.782 -18.204 1.00 1.32 H new ATOM 0 HB3 ASP A 77 4.432 11.307 -17.661 1.00 1.32 H new ATOM 1214 N ASN A 78 4.010 10.911 -14.297 1.00 53.33 N ATOM 1215 CA ASN A 78 4.081 11.962 -13.288 1.00 51.04 C ATOM 1216 C ASN A 78 4.937 11.522 -12.104 1.00 55.23 C ATOM 1217 O ASN A 78 5.609 12.338 -11.475 1.00 24.12 O ATOM 1218 CB ASN A 78 2.676 12.332 -12.808 1.00 3.05 C ATOM 1219 CG ASN A 78 2.698 13.381 -11.713 1.00 13.13 C ATOM 1220 OD1 ASN A 78 2.303 13.117 -10.577 1.00 25.03 O ATOM 1221 ND2 ASN A 78 3.160 14.579 -12.051 1.00 15.43 N ATOM 0 H ASN A 78 3.235 10.259 -14.174 1.00 53.33 H new ATOM 0 HA ASN A 78 4.544 12.838 -13.742 1.00 51.04 H new ATOM 0 HB2 ASN A 78 2.093 12.702 -13.651 1.00 3.05 H new ATOM 0 HB3 ASN A 78 2.173 11.438 -12.441 1.00 3.05 H new ATOM 0 HD21 ASN A 78 3.198 15.325 -11.357 1.00 15.43 H new ATOM 0 HD22 ASN A 78 3.477 14.753 -13.005 1.00 15.43 H new ATOM 1228 N ALA A 79 4.906 10.227 -11.808 1.00 15.14 N ATOM 1229 CA ALA A 79 5.680 9.678 -10.701 1.00 52.14 C ATOM 1230 C ALA A 79 5.402 8.189 -10.523 1.00 3.44 C ATOM 1231 O ALA A 79 4.687 7.772 -9.612 1.00 74.30 O ATOM 1232 CB ALA A 79 5.372 10.432 -9.416 1.00 43.44 C ATOM 0 H ALA A 79 4.354 9.538 -12.319 1.00 15.14 H new ATOM 0 HA ALA A 79 6.738 9.798 -10.935 1.00 52.14 H new ATOM 0 HB1 ALA A 79 5.957 10.011 -8.598 1.00 43.44 H new ATOM 0 HB2 ALA A 79 5.628 11.484 -9.541 1.00 43.44 H new ATOM 0 HB3 ALA A 79 4.310 10.342 -9.187 1.00 43.44 H new ATOM 1238 N PRO A 80 5.980 7.368 -11.412 1.00 23.15 N ATOM 1239 CA PRO A 80 5.809 5.913 -11.372 1.00 61.54 C ATOM 1240 C PRO A 80 6.515 5.278 -10.179 1.00 62.32 C ATOM 1241 O PRO A 80 6.107 4.224 -9.692 1.00 34.40 O ATOM 1242 CB PRO A 80 6.448 5.445 -12.683 1.00 33.14 C ATOM 1243 CG PRO A 80 7.436 6.507 -13.023 1.00 32.35 C ATOM 1244 CD PRO A 80 6.846 7.797 -12.523 1.00 31.50 C ATOM 0 HA PRO A 80 4.762 5.629 -11.266 1.00 61.54 H new ATOM 0 HB2 PRO A 80 6.933 4.476 -12.563 1.00 33.14 H new ATOM 0 HB3 PRO A 80 5.701 5.332 -13.469 1.00 33.14 H new ATOM 0 HG2 PRO A 80 8.399 6.310 -12.552 1.00 32.35 H new ATOM 0 HG3 PRO A 80 7.610 6.548 -14.098 1.00 32.35 H new ATOM 0 HD2 PRO A 80 7.619 8.488 -12.186 1.00 31.50 H new ATOM 0 HD3 PRO A 80 6.278 8.307 -13.301 1.00 31.50 H new ATOM 1252 N VAL A 81 7.577 5.926 -9.712 1.00 45.23 N ATOM 1253 CA VAL A 81 8.340 5.426 -8.575 1.00 33.43 C ATOM 1254 C VAL A 81 7.422 5.077 -7.409 1.00 34.23 C ATOM 1255 O VAL A 81 7.753 4.235 -6.573 1.00 52.41 O ATOM 1256 CB VAL A 81 9.384 6.455 -8.102 1.00 35.12 C ATOM 1257 CG1 VAL A 81 8.720 7.791 -7.805 1.00 52.03 C ATOM 1258 CG2 VAL A 81 10.127 5.937 -6.880 1.00 34.51 C ATOM 0 H VAL A 81 7.929 6.799 -10.104 1.00 45.23 H new ATOM 0 HA VAL A 81 8.855 4.526 -8.911 1.00 33.43 H new ATOM 0 HB VAL A 81 10.108 6.606 -8.902 1.00 35.12 H new ATOM 0 HG11 VAL A 81 9.473 8.505 -7.472 1.00 52.03 H new ATOM 0 HG12 VAL A 81 8.238 8.166 -8.708 1.00 52.03 H new ATOM 0 HG13 VAL A 81 7.973 7.660 -7.022 1.00 52.03 H new ATOM 0 HG21 VAL A 81 10.861 6.677 -6.560 1.00 34.51 H new ATOM 0 HG22 VAL A 81 9.418 5.756 -6.072 1.00 34.51 H new ATOM 0 HG23 VAL A 81 10.636 5.006 -7.131 1.00 34.51 H new ATOM 1268 N LYS A 82 6.265 5.729 -7.358 1.00 70.21 N ATOM 1269 CA LYS A 82 5.296 5.487 -6.296 1.00 10.53 C ATOM 1270 C LYS A 82 4.510 4.207 -6.557 1.00 32.31 C ATOM 1271 O LYS A 82 4.598 3.232 -5.809 1.00 52.43 O ATOM 1272 CB LYS A 82 4.335 6.672 -6.175 1.00 2.52 C ATOM 1273 CG LYS A 82 4.574 7.526 -4.941 1.00 71.30 C ATOM 1274 CD LYS A 82 5.922 8.224 -4.998 1.00 41.25 C ATOM 1275 CE LYS A 82 6.896 7.640 -3.987 1.00 21.11 C ATOM 1276 NZ LYS A 82 6.514 7.980 -2.588 1.00 73.34 N ATOM 0 H LYS A 82 5.976 6.430 -8.041 1.00 70.21 H new ATOM 0 HA LYS A 82 5.842 5.372 -5.360 1.00 10.53 H new ATOM 0 HB2 LYS A 82 4.429 7.297 -7.063 1.00 2.52 H new ATOM 0 HB3 LYS A 82 3.311 6.298 -6.155 1.00 2.52 H new ATOM 0 HG2 LYS A 82 3.782 8.270 -4.853 1.00 71.30 H new ATOM 0 HG3 LYS A 82 4.525 6.901 -4.050 1.00 71.30 H new ATOM 0 HD2 LYS A 82 6.338 8.132 -6.001 1.00 41.25 H new ATOM 0 HD3 LYS A 82 5.790 9.289 -4.804 1.00 41.25 H new ATOM 0 HE2 LYS A 82 6.931 6.557 -4.101 1.00 21.11 H new ATOM 0 HE3 LYS A 82 7.899 8.015 -4.191 1.00 21.11 H new ATOM 0 HZ1 LYS A 82 7.311 7.776 -1.951 1.00 73.34 H new ATOM 0 HZ2 LYS A 82 6.274 8.990 -2.529 1.00 73.34 H new ATOM 0 HZ3 LYS A 82 5.690 7.412 -2.305 1.00 73.34 H new ATOM 1290 N PRO A 83 3.723 4.205 -7.643 1.00 44.25 N ATOM 1291 CA PRO A 83 2.908 3.049 -8.029 1.00 44.42 C ATOM 1292 C PRO A 83 3.756 1.881 -8.520 1.00 74.52 C ATOM 1293 O PRO A 83 3.635 0.761 -8.021 1.00 52.55 O ATOM 1294 CB PRO A 83 2.037 3.593 -9.165 1.00 23.44 C ATOM 1295 CG PRO A 83 2.820 4.726 -9.733 1.00 72.45 C ATOM 1296 CD PRO A 83 3.570 5.331 -8.580 1.00 12.54 C ATOM 0 HA PRO A 83 2.338 2.653 -7.189 1.00 44.42 H new ATOM 0 HB2 PRO A 83 1.845 2.828 -9.917 1.00 23.44 H new ATOM 0 HB3 PRO A 83 1.068 3.928 -8.795 1.00 23.44 H new ATOM 0 HG2 PRO A 83 3.506 4.378 -10.505 1.00 72.45 H new ATOM 0 HG3 PRO A 83 2.162 5.460 -10.199 1.00 72.45 H new ATOM 0 HD2 PRO A 83 4.536 5.727 -8.893 1.00 12.54 H new ATOM 0 HD3 PRO A 83 3.018 6.156 -8.130 1.00 12.54 H new ATOM 1304 N ARG A 84 4.613 2.148 -9.500 1.00 31.40 N ATOM 1305 CA ARG A 84 5.480 1.117 -10.059 1.00 12.14 C ATOM 1306 C ARG A 84 6.149 0.310 -8.950 1.00 72.31 C ATOM 1307 O ARG A 84 6.490 -0.858 -9.138 1.00 51.45 O ATOM 1308 CB ARG A 84 6.544 1.749 -10.958 1.00 23.42 C ATOM 1309 CG ARG A 84 7.363 0.733 -11.738 1.00 55.15 C ATOM 1310 CD ARG A 84 8.694 1.316 -12.185 1.00 24.40 C ATOM 1311 NE ARG A 84 9.303 0.531 -13.256 1.00 42.41 N ATOM 1312 CZ ARG A 84 10.571 0.658 -13.630 1.00 45.41 C ATOM 1313 NH1 ARG A 84 11.361 1.533 -13.023 1.00 11.54 N ATOM 1314 NH2 ARG A 84 11.053 -0.091 -14.614 1.00 33.34 N ATOM 0 H ARG A 84 4.726 3.069 -9.923 1.00 31.40 H new ATOM 0 HA ARG A 84 4.865 0.443 -10.655 1.00 12.14 H new ATOM 0 HB2 ARG A 84 6.059 2.428 -11.659 1.00 23.42 H new ATOM 0 HB3 ARG A 84 7.215 2.351 -10.345 1.00 23.42 H new ATOM 0 HG2 ARG A 84 7.539 -0.146 -11.119 1.00 55.15 H new ATOM 0 HG3 ARG A 84 6.799 0.401 -12.610 1.00 55.15 H new ATOM 0 HD2 ARG A 84 8.545 2.340 -12.526 1.00 24.40 H new ATOM 0 HD3 ARG A 84 9.375 1.359 -11.335 1.00 24.40 H new ATOM 0 HE ARG A 84 8.723 -0.152 -13.743 1.00 42.41 H new ATOM 0 HH11 ARG A 84 10.995 2.111 -12.266 1.00 11.54 H new ATOM 0 HH12 ARG A 84 12.334 1.628 -13.313 1.00 11.54 H new ATOM 0 HH21 ARG A 84 10.449 -0.765 -15.084 1.00 33.34 H new ATOM 0 HH22 ARG A 84 12.027 0.008 -14.900 1.00 33.34 H new ATOM 1328 N MET A 85 6.333 0.940 -7.795 1.00 5.31 N ATOM 1329 CA MET A 85 6.961 0.280 -6.656 1.00 60.01 C ATOM 1330 C MET A 85 5.916 -0.403 -5.780 1.00 13.44 C ATOM 1331 O MET A 85 6.086 -1.553 -5.373 1.00 52.32 O ATOM 1332 CB MET A 85 7.756 1.291 -5.828 1.00 25.11 C ATOM 1333 CG MET A 85 9.078 1.691 -6.463 1.00 63.11 C ATOM 1334 SD MET A 85 10.379 0.473 -6.186 1.00 53.02 S ATOM 1335 CE MET A 85 11.568 1.450 -5.271 1.00 4.31 C ATOM 0 H MET A 85 6.056 1.907 -7.623 1.00 5.31 H new ATOM 0 HA MET A 85 7.642 -0.480 -7.038 1.00 60.01 H new ATOM 0 HB2 MET A 85 7.149 2.184 -5.679 1.00 25.11 H new ATOM 0 HB3 MET A 85 7.949 0.869 -4.842 1.00 25.11 H new ATOM 0 HG2 MET A 85 8.935 1.827 -7.535 1.00 63.11 H new ATOM 0 HG3 MET A 85 9.394 2.653 -6.059 1.00 63.11 H new ATOM 0 HE1 MET A 85 12.433 0.834 -5.025 1.00 4.31 H new ATOM 0 HE2 MET A 85 11.887 2.297 -5.878 1.00 4.31 H new ATOM 0 HE3 MET A 85 11.109 1.814 -4.352 1.00 4.31 H new ATOM 1345 N THR A 86 4.833 0.313 -5.491 1.00 2.12 N ATOM 1346 CA THR A 86 3.761 -0.223 -4.661 1.00 63.05 C ATOM 1347 C THR A 86 2.879 -1.180 -5.454 1.00 61.44 C ATOM 1348 O THR A 86 2.740 -2.351 -5.098 1.00 40.14 O ATOM 1349 CB THR A 86 2.885 0.902 -4.080 1.00 12.24 C ATOM 1350 OG1 THR A 86 3.670 1.744 -3.228 1.00 11.00 O ATOM 1351 CG2 THR A 86 1.716 0.326 -3.294 1.00 41.43 C ATOM 0 H THR A 86 4.675 1.266 -5.820 1.00 2.12 H new ATOM 0 HA THR A 86 4.235 -0.764 -3.842 1.00 63.05 H new ATOM 0 HB THR A 86 2.491 1.490 -4.909 1.00 12.24 H new ATOM 0 HG1 THR A 86 4.150 2.403 -3.772 1.00 11.00 H new ATOM 0 HG21 THR A 86 1.111 1.139 -2.893 1.00 41.43 H new ATOM 0 HG22 THR A 86 1.104 -0.291 -3.952 1.00 41.43 H new ATOM 0 HG23 THR A 86 2.094 -0.283 -2.473 1.00 41.43 H new ATOM 1359 N TYR A 87 2.286 -0.676 -6.531 1.00 34.54 N ATOM 1360 CA TYR A 87 1.415 -1.487 -7.373 1.00 71.34 C ATOM 1361 C TYR A 87 2.105 -2.786 -7.780 1.00 1.23 C ATOM 1362 O TYR A 87 1.449 -3.784 -8.076 1.00 23.24 O ATOM 1363 CB TYR A 87 1.003 -0.703 -8.621 1.00 23.52 C ATOM 1364 CG TYR A 87 -0.095 0.304 -8.368 1.00 11.23 C ATOM 1365 CD1 TYR A 87 0.040 1.275 -7.383 1.00 14.12 C ATOM 1366 CD2 TYR A 87 -1.268 0.285 -9.112 1.00 61.13 C ATOM 1367 CE1 TYR A 87 -0.962 2.198 -7.147 1.00 64.54 C ATOM 1368 CE2 TYR A 87 -2.274 1.204 -8.885 1.00 4.21 C ATOM 1369 CZ TYR A 87 -2.116 2.158 -7.901 1.00 41.34 C ATOM 1370 OH TYR A 87 -3.116 3.075 -7.671 1.00 31.12 O ATOM 0 H TYR A 87 2.393 0.290 -6.841 1.00 34.54 H new ATOM 0 HA TYR A 87 0.524 -1.735 -6.797 1.00 71.34 H new ATOM 0 HB2 TYR A 87 1.875 -0.184 -9.019 1.00 23.52 H new ATOM 0 HB3 TYR A 87 0.672 -1.404 -9.387 1.00 23.52 H new ATOM 0 HD1 TYR A 87 0.943 1.309 -6.792 1.00 14.12 H new ATOM 0 HD2 TYR A 87 -1.396 -0.462 -9.882 1.00 61.13 H new ATOM 0 HE1 TYR A 87 -0.842 2.946 -6.377 1.00 64.54 H new ATOM 0 HE2 TYR A 87 -3.179 1.176 -9.474 1.00 4.21 H new ATOM 0 HH TYR A 87 -3.859 2.910 -8.288 1.00 31.12 H new ATOM 1380 N ALA A 88 3.434 -2.763 -7.791 1.00 31.52 N ATOM 1381 CA ALA A 88 4.215 -3.938 -8.158 1.00 34.43 C ATOM 1382 C ALA A 88 4.222 -4.966 -7.031 1.00 64.01 C ATOM 1383 O ALA A 88 3.943 -6.145 -7.251 1.00 44.41 O ATOM 1384 CB ALA A 88 5.637 -3.536 -8.517 1.00 41.33 C ATOM 0 H ALA A 88 3.992 -1.944 -7.550 1.00 31.52 H new ATOM 0 HA ALA A 88 3.748 -4.396 -9.030 1.00 34.43 H new ATOM 0 HB1 ALA A 88 6.208 -4.424 -8.789 1.00 41.33 H new ATOM 0 HB2 ALA A 88 5.618 -2.845 -9.359 1.00 41.33 H new ATOM 0 HB3 ALA A 88 6.105 -3.051 -7.660 1.00 41.33 H new ATOM 1390 N SER A 89 4.545 -4.512 -5.824 1.00 55.32 N ATOM 1391 CA SER A 89 4.593 -5.393 -4.663 1.00 62.15 C ATOM 1392 C SER A 89 3.209 -5.548 -4.040 1.00 42.52 C ATOM 1393 O SER A 89 3.057 -6.161 -2.984 1.00 11.21 O ATOM 1394 CB SER A 89 5.575 -4.849 -3.624 1.00 42.12 C ATOM 1395 OG SER A 89 6.782 -5.591 -3.626 1.00 25.03 O ATOM 0 H SER A 89 4.777 -3.539 -5.625 1.00 55.32 H new ATOM 0 HA SER A 89 4.934 -6.373 -4.996 1.00 62.15 H new ATOM 0 HB2 SER A 89 5.788 -3.801 -3.834 1.00 42.12 H new ATOM 0 HB3 SER A 89 5.121 -4.889 -2.634 1.00 42.12 H new ATOM 0 HG SER A 89 7.394 -5.223 -2.955 1.00 25.03 H new ATOM 1401 N SER A 90 2.203 -4.986 -4.703 1.00 32.13 N ATOM 1402 CA SER A 90 0.831 -5.057 -4.213 1.00 22.21 C ATOM 1403 C SER A 90 -0.012 -5.978 -5.090 1.00 23.11 C ATOM 1404 O SER A 90 -1.093 -6.414 -4.694 1.00 22.41 O ATOM 1405 CB SER A 90 0.208 -3.660 -4.174 1.00 22.52 C ATOM 1406 OG SER A 90 -1.052 -3.682 -3.527 1.00 35.31 O ATOM 0 H SER A 90 2.312 -4.477 -5.580 1.00 32.13 H new ATOM 0 HA SER A 90 0.853 -5.466 -3.203 1.00 22.21 H new ATOM 0 HB2 SER A 90 0.876 -2.975 -3.652 1.00 22.52 H new ATOM 0 HB3 SER A 90 0.092 -3.281 -5.190 1.00 22.52 H new ATOM 0 HG SER A 90 -1.544 -4.485 -3.796 1.00 35.31 H new ATOM 1412 N LYS A 91 0.491 -6.270 -6.285 1.00 11.13 N ATOM 1413 CA LYS A 91 -0.213 -7.140 -7.220 1.00 2.42 C ATOM 1414 C LYS A 91 -0.500 -8.498 -6.588 1.00 60.25 C ATOM 1415 O LYS A 91 -1.370 -9.237 -7.051 1.00 3.31 O ATOM 1416 CB LYS A 91 0.611 -7.323 -8.497 1.00 14.53 C ATOM 1417 CG LYS A 91 1.363 -8.641 -8.552 1.00 12.13 C ATOM 1418 CD LYS A 91 2.442 -8.712 -7.484 1.00 72.22 C ATOM 1419 CE LYS A 91 3.823 -8.886 -8.098 1.00 54.31 C ATOM 1420 NZ LYS A 91 3.891 -10.084 -8.979 1.00 24.40 N ATOM 0 H LYS A 91 1.384 -5.917 -6.629 1.00 11.13 H new ATOM 0 HA LYS A 91 -1.163 -6.669 -7.472 1.00 2.42 H new ATOM 0 HB2 LYS A 91 -0.052 -7.256 -9.360 1.00 14.53 H new ATOM 0 HB3 LYS A 91 1.325 -6.503 -8.579 1.00 14.53 H new ATOM 0 HG2 LYS A 91 0.663 -9.466 -8.419 1.00 12.13 H new ATOM 0 HG3 LYS A 91 1.815 -8.762 -9.536 1.00 12.13 H new ATOM 0 HD2 LYS A 91 2.422 -7.803 -6.884 1.00 72.22 H new ATOM 0 HD3 LYS A 91 2.235 -9.543 -6.810 1.00 72.22 H new ATOM 0 HE2 LYS A 91 4.079 -7.997 -8.674 1.00 54.31 H new ATOM 0 HE3 LYS A 91 4.565 -8.976 -7.304 1.00 54.31 H new ATOM 0 HZ1 LYS A 91 4.857 -10.468 -8.969 1.00 24.40 H new ATOM 0 HZ2 LYS A 91 3.228 -10.807 -8.634 1.00 24.40 H new ATOM 0 HZ3 LYS A 91 3.635 -9.815 -9.951 1.00 24.40 H new ATOM 1434 N ASP A 92 0.235 -8.821 -5.530 1.00 11.52 N ATOM 1435 CA ASP A 92 0.057 -10.089 -4.833 1.00 61.44 C ATOM 1436 C ASP A 92 -1.326 -10.170 -4.194 1.00 42.54 C ATOM 1437 O ASP A 92 -1.822 -11.256 -3.898 1.00 65.34 O ATOM 1438 CB ASP A 92 1.137 -10.265 -3.765 1.00 2.22 C ATOM 1439 CG ASP A 92 2.498 -9.788 -4.233 1.00 70.24 C ATOM 1440 OD1 ASP A 92 2.710 -8.559 -4.285 1.00 1.10 O ATOM 1441 OD2 ASP A 92 3.351 -10.645 -4.549 1.00 54.44 O ATOM 0 H ASP A 92 0.960 -8.222 -5.136 1.00 11.52 H new ATOM 0 HA ASP A 92 0.146 -10.892 -5.565 1.00 61.44 H new ATOM 0 HB2 ASP A 92 0.851 -9.714 -2.869 1.00 2.22 H new ATOM 0 HB3 ASP A 92 1.200 -11.317 -3.486 1.00 2.22 H new ATOM 1446 N ALA A 93 -1.943 -9.011 -3.984 1.00 23.42 N ATOM 1447 CA ALA A 93 -3.268 -8.951 -3.381 1.00 14.41 C ATOM 1448 C ALA A 93 -4.353 -8.852 -4.448 1.00 60.33 C ATOM 1449 O ALA A 93 -5.264 -9.680 -4.501 1.00 1.34 O ATOM 1450 CB ALA A 93 -3.359 -7.772 -2.423 1.00 51.33 C ATOM 0 H ALA A 93 -1.546 -8.102 -4.223 1.00 23.42 H new ATOM 0 HA ALA A 93 -3.428 -9.873 -2.822 1.00 14.41 H new ATOM 0 HB1 ALA A 93 -4.354 -7.739 -1.980 1.00 51.33 H new ATOM 0 HB2 ALA A 93 -2.614 -7.885 -1.635 1.00 51.33 H new ATOM 0 HB3 ALA A 93 -3.174 -6.846 -2.967 1.00 51.33 H new ATOM 1456 N LEU A 94 -4.250 -7.836 -5.298 1.00 11.15 N ATOM 1457 CA LEU A 94 -5.223 -7.629 -6.364 1.00 53.24 C ATOM 1458 C LEU A 94 -5.439 -8.912 -7.161 1.00 52.51 C ATOM 1459 O LEU A 94 -6.565 -9.396 -7.286 1.00 1.15 O ATOM 1460 CB LEU A 94 -4.757 -6.509 -7.296 1.00 55.41 C ATOM 1461 CG LEU A 94 -4.463 -5.163 -6.633 1.00 3.14 C ATOM 1462 CD1 LEU A 94 -5.256 -5.019 -5.343 1.00 5.41 C ATOM 1463 CD2 LEU A 94 -2.972 -5.016 -6.364 1.00 11.21 C ATOM 0 H LEU A 94 -3.502 -7.143 -5.269 1.00 11.15 H new ATOM 0 HA LEU A 94 -6.170 -7.343 -5.907 1.00 53.24 H new ATOM 0 HB2 LEU A 94 -3.856 -6.843 -7.810 1.00 55.41 H new ATOM 0 HB3 LEU A 94 -5.521 -6.357 -8.059 1.00 55.41 H new ATOM 0 HG LEU A 94 -4.769 -4.369 -7.314 1.00 3.14 H new ATOM 0 HD11 LEU A 94 -5.034 -4.055 -4.885 1.00 5.41 H new ATOM 0 HD12 LEU A 94 -6.322 -5.080 -5.562 1.00 5.41 H new ATOM 0 HD13 LEU A 94 -4.981 -5.819 -4.656 1.00 5.41 H new ATOM 0 HD21 LEU A 94 -2.781 -4.052 -5.892 1.00 11.21 H new ATOM 0 HD22 LEU A 94 -2.641 -5.816 -5.702 1.00 11.21 H new ATOM 0 HD23 LEU A 94 -2.425 -5.074 -7.305 1.00 11.21 H new ATOM 1475 N LEU A 95 -4.354 -9.458 -7.697 1.00 63.51 N ATOM 1476 CA LEU A 95 -4.423 -10.687 -8.480 1.00 73.33 C ATOM 1477 C LEU A 95 -5.168 -11.778 -7.717 1.00 54.13 C ATOM 1478 O LEU A 95 -5.800 -12.649 -8.316 1.00 12.22 O ATOM 1479 CB LEU A 95 -3.016 -11.169 -8.836 1.00 43.13 C ATOM 1480 CG LEU A 95 -2.380 -10.529 -10.071 1.00 5.33 C ATOM 1481 CD1 LEU A 95 -0.917 -10.931 -10.187 1.00 14.43 C ATOM 1482 CD2 LEU A 95 -3.143 -10.919 -11.328 1.00 33.34 C ATOM 0 H LEU A 95 -3.415 -9.069 -7.604 1.00 63.51 H new ATOM 0 HA LEU A 95 -4.970 -10.472 -9.398 1.00 73.33 H new ATOM 0 HB2 LEU A 95 -2.364 -10.988 -7.981 1.00 43.13 H new ATOM 0 HB3 LEU A 95 -3.051 -12.248 -8.988 1.00 43.13 H new ATOM 0 HG LEU A 95 -2.431 -9.446 -9.961 1.00 5.33 H new ATOM 0 HD11 LEU A 95 -0.481 -10.466 -11.071 1.00 14.43 H new ATOM 0 HD12 LEU A 95 -0.377 -10.600 -9.300 1.00 14.43 H new ATOM 0 HD13 LEU A 95 -0.843 -12.015 -10.273 1.00 14.43 H new ATOM 0 HD21 LEU A 95 -2.676 -10.454 -12.196 1.00 33.34 H new ATOM 0 HD22 LEU A 95 -3.125 -12.003 -11.443 1.00 33.34 H new ATOM 0 HD23 LEU A 95 -4.176 -10.580 -11.247 1.00 33.34 H new ATOM 1494 N LYS A 96 -5.092 -11.723 -6.392 1.00 20.01 N ATOM 1495 CA LYS A 96 -5.761 -12.703 -5.545 1.00 75.32 C ATOM 1496 C LYS A 96 -7.226 -12.331 -5.335 1.00 62.35 C ATOM 1497 O LYS A 96 -8.088 -13.202 -5.221 1.00 33.45 O ATOM 1498 CB LYS A 96 -5.052 -12.809 -4.193 1.00 54.22 C ATOM 1499 CG LYS A 96 -3.672 -13.437 -4.278 1.00 33.44 C ATOM 1500 CD LYS A 96 -3.724 -14.813 -4.922 1.00 14.25 C ATOM 1501 CE LYS A 96 -3.432 -14.742 -6.413 1.00 14.45 C ATOM 1502 NZ LYS A 96 -2.169 -15.447 -6.765 1.00 10.14 N ATOM 0 H LYS A 96 -4.573 -11.009 -5.881 1.00 20.01 H new ATOM 0 HA LYS A 96 -5.718 -13.669 -6.047 1.00 75.32 H new ATOM 0 HB2 LYS A 96 -4.963 -11.813 -3.760 1.00 54.22 H new ATOM 0 HB3 LYS A 96 -5.669 -13.398 -3.514 1.00 54.22 H new ATOM 0 HG2 LYS A 96 -3.011 -12.789 -4.854 1.00 33.44 H new ATOM 0 HG3 LYS A 96 -3.246 -13.518 -3.278 1.00 33.44 H new ATOM 0 HD2 LYS A 96 -3.000 -15.469 -4.439 1.00 14.25 H new ATOM 0 HD3 LYS A 96 -4.709 -15.253 -4.764 1.00 14.25 H new ATOM 0 HE2 LYS A 96 -4.261 -15.183 -6.967 1.00 14.45 H new ATOM 0 HE3 LYS A 96 -3.363 -13.698 -6.720 1.00 14.45 H new ATOM 0 HZ1 LYS A 96 -2.006 -15.376 -7.790 1.00 10.14 H new ATOM 0 HZ2 LYS A 96 -1.374 -15.010 -6.256 1.00 10.14 H new ATOM 0 HZ3 LYS A 96 -2.244 -16.449 -6.495 1.00 10.14 H new ATOM 1516 N LYS A 97 -7.501 -11.032 -5.288 1.00 25.11 N ATOM 1517 CA LYS A 97 -8.861 -10.544 -5.095 1.00 2.20 C ATOM 1518 C LYS A 97 -9.731 -10.866 -6.305 1.00 53.14 C ATOM 1519 O LYS A 97 -10.893 -11.250 -6.163 1.00 22.51 O ATOM 1520 CB LYS A 97 -8.852 -9.034 -4.847 1.00 11.30 C ATOM 1521 CG LYS A 97 -8.256 -8.641 -3.506 1.00 41.14 C ATOM 1522 CD LYS A 97 -8.954 -9.349 -2.357 1.00 4.41 C ATOM 1523 CE LYS A 97 -8.118 -10.502 -1.823 1.00 2.32 C ATOM 1524 NZ LYS A 97 -8.683 -11.059 -0.563 1.00 5.04 N ATOM 0 H LYS A 97 -6.799 -10.298 -5.381 1.00 25.11 H new ATOM 0 HA LYS A 97 -9.281 -11.047 -4.224 1.00 2.20 H new ATOM 0 HB2 LYS A 97 -8.288 -8.547 -5.642 1.00 11.30 H new ATOM 0 HB3 LYS A 97 -9.874 -8.659 -4.905 1.00 11.30 H new ATOM 0 HG2 LYS A 97 -7.194 -8.885 -3.493 1.00 41.14 H new ATOM 0 HG3 LYS A 97 -8.337 -7.562 -3.373 1.00 41.14 H new ATOM 0 HD2 LYS A 97 -9.149 -8.638 -1.555 1.00 4.41 H new ATOM 0 HD3 LYS A 97 -9.921 -9.724 -2.693 1.00 4.41 H new ATOM 0 HE2 LYS A 97 -8.062 -11.289 -2.575 1.00 2.32 H new ATOM 0 HE3 LYS A 97 -7.099 -10.159 -1.644 1.00 2.32 H new ATOM 0 HZ1 LYS A 97 -7.940 -11.573 -0.047 1.00 5.04 H new ATOM 0 HZ2 LYS A 97 -9.043 -10.283 0.029 1.00 5.04 H new ATOM 0 HZ3 LYS A 97 -9.461 -11.711 -0.790 1.00 5.04 H new ATOM 1538 N LEU A 98 -9.163 -10.708 -7.496 1.00 11.13 N ATOM 1539 CA LEU A 98 -9.887 -10.984 -8.732 1.00 11.42 C ATOM 1540 C LEU A 98 -10.283 -12.454 -8.815 1.00 22.44 C ATOM 1541 O LEU A 98 -10.036 -13.227 -7.888 1.00 55.12 O ATOM 1542 CB LEU A 98 -9.032 -10.605 -9.942 1.00 50.22 C ATOM 1543 CG LEU A 98 -8.339 -9.243 -9.875 1.00 73.30 C ATOM 1544 CD1 LEU A 98 -6.955 -9.317 -10.500 1.00 23.43 C ATOM 1545 CD2 LEU A 98 -9.182 -8.181 -10.566 1.00 71.43 C ATOM 0 H LEU A 98 -8.203 -10.390 -7.632 1.00 11.13 H new ATOM 0 HA LEU A 98 -10.796 -10.382 -8.734 1.00 11.42 H new ATOM 0 HB2 LEU A 98 -8.269 -11.372 -10.077 1.00 50.22 H new ATOM 0 HB3 LEU A 98 -9.665 -10.625 -10.829 1.00 50.22 H new ATOM 0 HG LEU A 98 -8.228 -8.965 -8.827 1.00 73.30 H new ATOM 0 HD11 LEU A 98 -6.477 -8.339 -10.443 1.00 23.43 H new ATOM 0 HD12 LEU A 98 -6.351 -10.048 -9.962 1.00 23.43 H new ATOM 0 HD13 LEU A 98 -7.043 -9.618 -11.544 1.00 23.43 H new ATOM 0 HD21 LEU A 98 -8.674 -7.219 -10.509 1.00 71.43 H new ATOM 0 HD22 LEU A 98 -9.325 -8.454 -11.612 1.00 71.43 H new ATOM 0 HD23 LEU A 98 -10.152 -8.109 -10.074 1.00 71.43 H new ATOM 1557 N ASP A 99 -10.895 -12.835 -9.930 1.00 54.23 N ATOM 1558 CA ASP A 99 -11.322 -14.214 -10.136 1.00 53.00 C ATOM 1559 C ASP A 99 -10.898 -14.715 -11.513 1.00 41.41 C ATOM 1560 O ASP A 99 -11.508 -14.371 -12.525 1.00 3.02 O ATOM 1561 CB ASP A 99 -12.840 -14.329 -9.983 1.00 42.33 C ATOM 1562 CG ASP A 99 -13.301 -15.767 -9.851 1.00 53.22 C ATOM 1563 OD1 ASP A 99 -13.036 -16.380 -8.796 1.00 63.15 O ATOM 1564 OD2 ASP A 99 -13.927 -16.279 -10.803 1.00 33.32 O ATOM 0 H ASP A 99 -11.107 -12.208 -10.706 1.00 54.23 H new ATOM 0 HA ASP A 99 -10.840 -14.834 -9.380 1.00 53.00 H new ATOM 0 HB2 ASP A 99 -13.157 -13.767 -9.105 1.00 42.33 H new ATOM 0 HB3 ASP A 99 -13.325 -13.873 -10.846 1.00 42.33 H new ATOM 1569 N GLY A 100 -9.847 -15.528 -11.544 1.00 23.34 N ATOM 1570 CA GLY A 100 -9.358 -16.062 -12.801 1.00 42.15 C ATOM 1571 C GLY A 100 -8.257 -15.211 -13.403 1.00 62.32 C ATOM 1572 O GLY A 100 -7.623 -15.606 -14.381 1.00 64.11 O ATOM 0 H GLY A 100 -9.325 -15.827 -10.720 1.00 23.34 H new ATOM 0 HA2 GLY A 100 -8.985 -17.074 -12.642 1.00 42.15 H new ATOM 0 HA3 GLY A 100 -10.185 -16.134 -13.508 1.00 42.15 H new ATOM 1576 N ALA A 101 -8.030 -14.040 -12.819 1.00 11.53 N ATOM 1577 CA ALA A 101 -6.998 -13.131 -13.303 1.00 71.21 C ATOM 1578 C ALA A 101 -5.631 -13.806 -13.308 1.00 62.32 C ATOM 1579 O ALA A 101 -4.960 -13.883 -12.278 1.00 51.41 O ATOM 1580 CB ALA A 101 -6.963 -11.870 -12.452 1.00 72.24 C ATOM 0 H ALA A 101 -8.547 -13.698 -12.009 1.00 11.53 H new ATOM 0 HA ALA A 101 -7.243 -12.856 -14.329 1.00 71.21 H new ATOM 0 HB1 ALA A 101 -6.188 -11.201 -12.825 1.00 72.24 H new ATOM 0 HB2 ALA A 101 -7.930 -11.370 -12.503 1.00 72.24 H new ATOM 0 HB3 ALA A 101 -6.746 -12.135 -11.417 1.00 72.24 H new ATOM 1586 N THR A 102 -5.222 -14.296 -14.475 1.00 31.35 N ATOM 1587 CA THR A 102 -3.936 -14.967 -14.613 1.00 44.22 C ATOM 1588 C THR A 102 -2.807 -13.959 -14.798 1.00 52.32 C ATOM 1589 O THR A 102 -2.992 -12.761 -14.587 1.00 2.44 O ATOM 1590 CB THR A 102 -3.937 -15.943 -15.804 1.00 65.53 C ATOM 1591 OG1 THR A 102 -3.875 -15.215 -17.035 1.00 41.34 O ATOM 1592 CG2 THR A 102 -5.182 -16.816 -15.788 1.00 35.14 C ATOM 0 H THR A 102 -5.763 -14.240 -15.338 1.00 31.35 H new ATOM 0 HA THR A 102 -3.772 -15.528 -13.693 1.00 44.22 H new ATOM 0 HB THR A 102 -3.061 -16.586 -15.718 1.00 65.53 H new ATOM 0 HG1 THR A 102 -3.874 -15.843 -17.787 1.00 41.34 H new ATOM 0 HG21 THR A 102 -5.160 -17.497 -16.639 1.00 35.14 H new ATOM 0 HG22 THR A 102 -5.211 -17.392 -14.863 1.00 35.14 H new ATOM 0 HG23 THR A 102 -6.069 -16.186 -15.851 1.00 35.14 H new ATOM 1600 N ALA A 103 -1.639 -14.452 -15.195 1.00 4.20 N ATOM 1601 CA ALA A 103 -0.481 -13.593 -15.411 1.00 41.12 C ATOM 1602 C ALA A 103 -0.469 -13.035 -16.830 1.00 43.13 C ATOM 1603 O ALA A 103 0.541 -12.500 -17.289 1.00 73.02 O ATOM 1604 CB ALA A 103 0.804 -14.359 -15.132 1.00 51.31 C ATOM 0 H ALA A 103 -1.469 -15.442 -15.374 1.00 4.20 H new ATOM 0 HA ALA A 103 -0.548 -12.754 -14.719 1.00 41.12 H new ATOM 0 HB1 ALA A 103 1.660 -13.705 -15.297 1.00 51.31 H new ATOM 0 HB2 ALA A 103 0.805 -14.704 -14.098 1.00 51.31 H new ATOM 0 HB3 ALA A 103 0.868 -15.217 -15.801 1.00 51.31 H new ATOM 1610 N VAL A 104 -1.597 -13.163 -17.522 1.00 22.55 N ATOM 1611 CA VAL A 104 -1.716 -12.672 -18.889 1.00 1.51 C ATOM 1612 C VAL A 104 -1.796 -11.149 -18.920 1.00 61.43 C ATOM 1613 O VAL A 104 -1.786 -10.539 -19.989 1.00 32.12 O ATOM 1614 CB VAL A 104 -2.958 -13.254 -19.589 1.00 22.50 C ATOM 1615 CG1 VAL A 104 -4.231 -12.697 -18.970 1.00 43.25 C ATOM 1616 CG2 VAL A 104 -2.911 -12.968 -21.082 1.00 42.22 C ATOM 0 H VAL A 104 -2.442 -13.603 -17.157 1.00 22.55 H new ATOM 0 HA VAL A 104 -0.822 -12.998 -19.421 1.00 1.51 H new ATOM 0 HB VAL A 104 -2.959 -14.335 -19.450 1.00 22.50 H new ATOM 0 HG11 VAL A 104 -5.098 -13.120 -19.478 1.00 43.25 H new ATOM 0 HG12 VAL A 104 -4.266 -12.959 -17.913 1.00 43.25 H new ATOM 0 HG13 VAL A 104 -4.242 -11.612 -19.075 1.00 43.25 H new ATOM 0 HG21 VAL A 104 -3.796 -13.386 -21.561 1.00 42.22 H new ATOM 0 HG22 VAL A 104 -2.885 -11.891 -21.245 1.00 42.22 H new ATOM 0 HG23 VAL A 104 -2.018 -13.422 -21.511 1.00 42.22 H new ATOM 1626 N ALA A 105 -1.874 -10.542 -17.741 1.00 34.12 N ATOM 1627 CA ALA A 105 -1.953 -9.091 -17.633 1.00 15.43 C ATOM 1628 C ALA A 105 -0.746 -8.425 -18.284 1.00 71.03 C ATOM 1629 O ALA A 105 0.278 -9.068 -18.520 1.00 50.40 O ATOM 1630 CB ALA A 105 -2.064 -8.675 -16.173 1.00 62.31 C ATOM 0 H ALA A 105 -1.884 -11.033 -16.847 1.00 34.12 H new ATOM 0 HA ALA A 105 -2.847 -8.761 -18.163 1.00 15.43 H new ATOM 0 HB1 ALA A 105 -2.122 -7.589 -16.108 1.00 62.31 H new ATOM 0 HB2 ALA A 105 -2.962 -9.113 -15.737 1.00 62.31 H new ATOM 0 HB3 ALA A 105 -1.188 -9.025 -15.627 1.00 62.31 H new ATOM 1636 N LEU A 106 -0.873 -7.135 -18.574 1.00 5.21 N ATOM 1637 CA LEU A 106 0.209 -6.382 -19.200 1.00 11.55 C ATOM 1638 C LEU A 106 0.328 -4.990 -18.587 1.00 40.54 C ATOM 1639 O LEU A 106 -0.587 -4.174 -18.696 1.00 3.34 O ATOM 1640 CB LEU A 106 -0.026 -6.270 -20.707 1.00 15.11 C ATOM 1641 CG LEU A 106 1.223 -6.316 -21.587 1.00 4.34 C ATOM 1642 CD1 LEU A 106 2.170 -5.181 -21.228 1.00 64.01 C ATOM 1643 CD2 LEU A 106 1.923 -7.660 -21.450 1.00 30.25 C ATOM 0 H LEU A 106 -1.714 -6.589 -18.386 1.00 5.21 H new ATOM 0 HA LEU A 106 1.142 -6.918 -19.024 1.00 11.55 H new ATOM 0 HB2 LEU A 106 -0.690 -7.079 -21.012 1.00 15.11 H new ATOM 0 HB3 LEU A 106 -0.550 -5.335 -20.904 1.00 15.11 H new ATOM 0 HG LEU A 106 0.917 -6.193 -22.626 1.00 4.34 H new ATOM 0 HD11 LEU A 106 3.054 -5.229 -21.864 1.00 64.01 H new ATOM 0 HD12 LEU A 106 1.667 -4.226 -21.378 1.00 64.01 H new ATOM 0 HD13 LEU A 106 2.469 -5.273 -20.184 1.00 64.01 H new ATOM 0 HD21 LEU A 106 2.810 -7.675 -22.084 1.00 30.25 H new ATOM 0 HD22 LEU A 106 2.216 -7.813 -20.411 1.00 30.25 H new ATOM 0 HD23 LEU A 106 1.245 -8.456 -21.757 1.00 30.25 H new ATOM 1655 N GLU A 107 1.462 -4.725 -17.946 1.00 64.55 N ATOM 1656 CA GLU A 107 1.701 -3.431 -17.319 1.00 32.23 C ATOM 1657 C GLU A 107 2.749 -2.636 -18.092 1.00 70.21 C ATOM 1658 O GLU A 107 3.950 -2.821 -17.900 1.00 23.15 O ATOM 1659 CB GLU A 107 2.154 -3.618 -15.869 1.00 72.22 C ATOM 1660 CG GLU A 107 3.285 -4.619 -15.710 1.00 25.45 C ATOM 1661 CD GLU A 107 4.407 -4.098 -14.832 1.00 15.33 C ATOM 1662 OE1 GLU A 107 4.155 -3.850 -13.634 1.00 13.22 O ATOM 1663 OE2 GLU A 107 5.535 -3.937 -15.342 1.00 73.01 O ATOM 0 H GLU A 107 2.230 -5.390 -17.847 1.00 64.55 H new ATOM 0 HA GLU A 107 0.765 -2.872 -17.331 1.00 32.23 H new ATOM 0 HB2 GLU A 107 2.473 -2.655 -15.470 1.00 72.22 H new ATOM 0 HB3 GLU A 107 1.304 -3.945 -15.271 1.00 72.22 H new ATOM 0 HG2 GLU A 107 2.892 -5.541 -15.281 1.00 25.45 H new ATOM 0 HG3 GLU A 107 3.684 -4.869 -16.693 1.00 25.45 H new ATOM 1670 N ALA A 108 2.284 -1.751 -18.968 1.00 64.41 N ATOM 1671 CA ALA A 108 3.180 -0.927 -19.770 1.00 23.23 C ATOM 1672 C ALA A 108 2.600 0.467 -19.983 1.00 61.33 C ATOM 1673 O ALA A 108 1.383 0.638 -20.063 1.00 42.15 O ATOM 1674 CB ALA A 108 3.457 -1.596 -21.108 1.00 25.42 C ATOM 0 H ALA A 108 1.292 -1.586 -19.140 1.00 64.41 H new ATOM 0 HA ALA A 108 4.120 -0.822 -19.228 1.00 23.23 H new ATOM 0 HB1 ALA A 108 4.127 -0.969 -21.696 1.00 25.42 H new ATOM 0 HB2 ALA A 108 3.922 -2.567 -20.940 1.00 25.42 H new ATOM 0 HB3 ALA A 108 2.520 -1.731 -21.648 1.00 25.42 H new ATOM 1680 N HIS A 109 3.478 1.461 -20.074 1.00 60.32 N ATOM 1681 CA HIS A 109 3.052 2.841 -20.278 1.00 60.35 C ATOM 1682 C HIS A 109 3.326 3.287 -21.711 1.00 42.53 C ATOM 1683 O HIS A 109 4.464 3.592 -22.069 1.00 34.41 O ATOM 1684 CB HIS A 109 3.768 3.768 -19.297 1.00 4.53 C ATOM 1685 CG HIS A 109 5.251 3.564 -19.253 1.00 45.42 C ATOM 1686 ND1 HIS A 109 6.139 4.341 -19.968 1.00 23.33 N ATOM 1687 CD2 HIS A 109 6.002 2.666 -18.574 1.00 10.15 C ATOM 1688 CE1 HIS A 109 7.372 3.928 -19.731 1.00 35.41 C ATOM 1689 NE2 HIS A 109 7.316 2.913 -18.888 1.00 31.45 N ATOM 0 H HIS A 109 4.488 1.337 -20.010 1.00 60.32 H new ATOM 0 HA HIS A 109 1.978 2.895 -20.098 1.00 60.35 H new ATOM 0 HB2 HIS A 109 3.560 4.803 -19.570 1.00 4.53 H new ATOM 0 HB3 HIS A 109 3.359 3.613 -18.299 1.00 4.53 H new ATOM 0 HD2 HIS A 109 5.636 1.898 -17.909 1.00 10.15 H new ATOM 0 HE1 HIS A 109 8.272 4.349 -20.155 1.00 35.41 H new ATOM 0 HE2 HIS A 109 8.119 2.396 -18.528 1.00 31.45 H new ATOM 1697 N GLU A 110 2.276 3.323 -22.526 1.00 45.42 N ATOM 1698 CA GLU A 110 2.406 3.731 -23.920 1.00 50.41 C ATOM 1699 C GLU A 110 1.049 4.118 -24.502 1.00 44.30 C ATOM 1700 O GLU A 110 0.110 3.324 -24.495 1.00 32.42 O ATOM 1701 CB GLU A 110 3.026 2.605 -24.749 1.00 21.40 C ATOM 1702 CG GLU A 110 2.567 1.218 -24.331 1.00 72.11 C ATOM 1703 CD GLU A 110 2.686 0.202 -25.450 1.00 64.23 C ATOM 1704 OE1 GLU A 110 3.154 0.577 -26.545 1.00 63.15 O ATOM 1705 OE2 GLU A 110 2.312 -0.969 -25.230 1.00 70.21 O ATOM 0 H GLU A 110 1.327 3.075 -22.245 1.00 45.42 H new ATOM 0 HA GLU A 110 3.060 4.602 -23.957 1.00 50.41 H new ATOM 0 HB2 GLU A 110 2.778 2.759 -25.799 1.00 21.40 H new ATOM 0 HB3 GLU A 110 4.111 2.660 -24.666 1.00 21.40 H new ATOM 0 HG2 GLU A 110 3.159 0.885 -23.479 1.00 72.11 H new ATOM 0 HG3 GLU A 110 1.530 1.267 -23.999 1.00 72.11 H new ATOM 1712 N MET A 111 0.956 5.345 -25.005 1.00 31.03 N ATOM 1713 CA MET A 111 -0.285 5.838 -25.591 1.00 71.42 C ATOM 1714 C MET A 111 -0.799 4.879 -26.661 1.00 45.54 C ATOM 1715 O MET A 111 -2.004 4.671 -26.795 1.00 24.32 O ATOM 1716 CB MET A 111 -0.073 7.228 -26.194 1.00 21.40 C ATOM 1717 CG MET A 111 -1.266 7.734 -26.988 1.00 10.42 C ATOM 1718 SD MET A 111 -0.981 7.700 -28.768 1.00 32.01 S ATOM 1719 CE MET A 111 -2.664 7.653 -29.379 1.00 71.42 C ATOM 0 H MET A 111 1.725 6.015 -25.018 1.00 31.03 H new ATOM 0 HA MET A 111 -1.031 5.904 -24.799 1.00 71.42 H new ATOM 0 HB2 MET A 111 0.145 7.933 -25.392 1.00 21.40 H new ATOM 0 HB3 MET A 111 0.802 7.204 -26.844 1.00 21.40 H new ATOM 0 HG2 MET A 111 -2.139 7.125 -26.752 1.00 10.42 H new ATOM 0 HG3 MET A 111 -1.496 8.754 -26.680 1.00 10.42 H new ATOM 0 HE1 MET A 111 -2.655 7.629 -30.469 1.00 71.42 H new ATOM 0 HE2 MET A 111 -3.164 6.761 -29.000 1.00 71.42 H new ATOM 0 HE3 MET A 111 -3.199 8.540 -29.040 1.00 71.42 H new ATOM 1729 N GLY A 112 0.125 4.299 -27.422 1.00 53.45 N ATOM 1730 CA GLY A 112 -0.255 3.371 -28.471 1.00 61.12 C ATOM 1731 C GLY A 112 -1.004 2.167 -27.936 1.00 72.32 C ATOM 1732 O GLY A 112 -1.693 1.473 -28.684 1.00 53.24 O ATOM 0 H GLY A 112 1.129 4.455 -27.331 1.00 53.45 H new ATOM 0 HA2 GLY A 112 -0.878 3.888 -29.201 1.00 61.12 H new ATOM 0 HA3 GLY A 112 0.639 3.035 -28.996 1.00 61.12 H new ATOM 1736 N ASP A 113 -0.869 1.916 -26.639 1.00 3.44 N ATOM 1737 CA ASP A 113 -1.538 0.787 -26.004 1.00 31.11 C ATOM 1738 C ASP A 113 -2.981 1.138 -25.653 1.00 23.43 C ATOM 1739 O ASP A 113 -3.866 0.282 -25.692 1.00 51.10 O ATOM 1740 CB ASP A 113 -0.783 0.361 -24.744 1.00 44.20 C ATOM 1741 CG ASP A 113 -1.402 -0.852 -24.079 1.00 75.34 C ATOM 1742 OD1 ASP A 113 -2.082 -1.630 -24.781 1.00 61.11 O ATOM 1743 OD2 ASP A 113 -1.209 -1.024 -22.857 1.00 41.44 O ATOM 0 H ASP A 113 -0.302 2.480 -26.006 1.00 3.44 H new ATOM 0 HA ASP A 113 -1.546 -0.043 -26.711 1.00 31.11 H new ATOM 0 HB2 ASP A 113 0.253 0.141 -25.002 1.00 44.20 H new ATOM 0 HB3 ASP A 113 -0.766 1.190 -24.037 1.00 44.20 H new ATOM 1748 N LEU A 114 -3.210 2.400 -25.309 1.00 32.14 N ATOM 1749 CA LEU A 114 -4.546 2.864 -24.949 1.00 44.31 C ATOM 1750 C LEU A 114 -5.447 2.934 -26.178 1.00 1.23 C ATOM 1751 O LEU A 114 -6.672 2.895 -26.064 1.00 44.12 O ATOM 1752 CB LEU A 114 -4.467 4.238 -24.282 1.00 4.45 C ATOM 1753 CG LEU A 114 -3.619 4.320 -23.012 1.00 22.14 C ATOM 1754 CD1 LEU A 114 -2.931 5.673 -22.915 1.00 33.12 C ATOM 1755 CD2 LEU A 114 -4.476 4.066 -21.781 1.00 15.15 C ATOM 0 H LEU A 114 -2.489 3.120 -25.272 1.00 32.14 H new ATOM 0 HA LEU A 114 -4.975 2.150 -24.246 1.00 44.31 H new ATOM 0 HB2 LEU A 114 -4.070 4.949 -25.006 1.00 4.45 H new ATOM 0 HB3 LEU A 114 -5.480 4.561 -24.040 1.00 4.45 H new ATOM 0 HG LEU A 114 -2.851 3.548 -23.061 1.00 22.14 H new ATOM 0 HD11 LEU A 114 -2.332 5.712 -22.005 1.00 33.12 H new ATOM 0 HD12 LEU A 114 -2.285 5.815 -23.781 1.00 33.12 H new ATOM 0 HD13 LEU A 114 -3.682 6.462 -22.889 1.00 33.12 H new ATOM 0 HD21 LEU A 114 -3.856 4.128 -20.887 1.00 15.15 H new ATOM 0 HD22 LEU A 114 -5.267 4.815 -21.727 1.00 15.15 H new ATOM 0 HD23 LEU A 114 -4.921 3.073 -21.846 1.00 15.15 H new ATOM 1767 N ALA A 115 -4.832 3.036 -27.351 1.00 62.24 N ATOM 1768 CA ALA A 115 -5.578 3.107 -28.601 1.00 72.44 C ATOM 1769 C ALA A 115 -6.484 1.891 -28.769 1.00 40.55 C ATOM 1770 O ALA A 115 -7.709 2.002 -28.815 1.00 14.05 O ATOM 1771 CB ALA A 115 -4.623 3.223 -29.780 1.00 74.33 C ATOM 0 H ALA A 115 -3.819 3.071 -27.462 1.00 62.24 H new ATOM 0 HA ALA A 115 -6.208 3.996 -28.570 1.00 72.44 H new ATOM 0 HB1 ALA A 115 -5.194 3.275 -30.707 1.00 74.33 H new ATOM 0 HB2 ALA A 115 -4.021 4.126 -29.673 1.00 74.33 H new ATOM 0 HB3 ALA A 115 -3.969 2.352 -29.805 1.00 74.33 H new ATOM 1777 N PRO A 116 -5.869 0.703 -28.865 1.00 55.13 N ATOM 1778 CA PRO A 116 -6.602 -0.556 -29.030 1.00 51.13 C ATOM 1779 C PRO A 116 -7.374 -0.946 -27.775 1.00 30.25 C ATOM 1780 O PRO A 116 -8.535 -1.350 -27.848 1.00 15.14 O ATOM 1781 CB PRO A 116 -5.496 -1.575 -29.317 1.00 13.14 C ATOM 1782 CG PRO A 116 -4.275 -0.995 -28.690 1.00 74.00 C ATOM 1783 CD PRO A 116 -4.412 0.497 -28.820 1.00 32.25 C ATOM 0 HA PRO A 116 -7.354 -0.490 -29.816 1.00 51.13 H new ATOM 0 HB2 PRO A 116 -5.735 -2.549 -28.891 1.00 13.14 H new ATOM 0 HB3 PRO A 116 -5.360 -1.720 -30.389 1.00 13.14 H new ATOM 0 HG2 PRO A 116 -4.196 -1.290 -27.644 1.00 74.00 H new ATOM 0 HG3 PRO A 116 -3.374 -1.349 -29.190 1.00 74.00 H new ATOM 0 HD2 PRO A 116 -3.958 1.017 -27.976 1.00 32.25 H new ATOM 0 HD3 PRO A 116 -3.926 0.868 -29.722 1.00 32.25 H new ATOM 1791 N LEU A 117 -6.723 -0.823 -26.623 1.00 63.23 N ATOM 1792 CA LEU A 117 -7.349 -1.163 -25.350 1.00 44.21 C ATOM 1793 C LEU A 117 -7.576 -2.667 -25.239 1.00 53.13 C ATOM 1794 O LEU A 117 -6.913 -3.349 -24.459 1.00 64.34 O ATOM 1795 CB LEU A 117 -8.678 -0.422 -25.199 1.00 53.32 C ATOM 1796 CG LEU A 117 -9.204 -0.270 -23.771 1.00 70.23 C ATOM 1797 CD1 LEU A 117 -9.603 -1.623 -23.203 1.00 23.21 C ATOM 1798 CD2 LEU A 117 -8.160 0.395 -22.887 1.00 11.55 C ATOM 0 H LEU A 117 -5.762 -0.490 -26.545 1.00 63.23 H new ATOM 0 HA LEU A 117 -6.676 -0.856 -24.549 1.00 44.21 H new ATOM 0 HB2 LEU A 117 -8.568 0.572 -25.632 1.00 53.32 H new ATOM 0 HB3 LEU A 117 -9.431 -0.945 -25.789 1.00 53.32 H new ATOM 0 HG LEU A 117 -10.089 0.366 -23.795 1.00 70.23 H new ATOM 0 HD11 LEU A 117 -9.975 -1.495 -22.186 1.00 23.21 H new ATOM 0 HD12 LEU A 117 -10.385 -2.062 -23.823 1.00 23.21 H new ATOM 0 HD13 LEU A 117 -8.736 -2.283 -23.192 1.00 23.21 H new ATOM 0 HD21 LEU A 117 -8.551 0.495 -21.875 1.00 11.55 H new ATOM 0 HD22 LEU A 117 -7.257 -0.215 -22.868 1.00 11.55 H new ATOM 0 HD23 LEU A 117 -7.923 1.382 -23.284 1.00 11.55 H new ATOM 1810 N ALA A 118 -8.518 -3.177 -26.026 1.00 63.35 N ATOM 1811 CA ALA A 118 -8.830 -4.601 -26.020 1.00 22.01 C ATOM 1812 C ALA A 118 -8.144 -5.319 -27.178 1.00 12.34 C ATOM 1813 O ALA A 118 -7.662 -6.442 -27.026 1.00 4.32 O ATOM 1814 CB ALA A 118 -10.335 -4.812 -26.083 1.00 53.41 C ATOM 0 H ALA A 118 -9.078 -2.625 -26.676 1.00 63.35 H new ATOM 0 HA ALA A 118 -8.453 -5.026 -25.090 1.00 22.01 H new ATOM 0 HB1 ALA A 118 -10.553 -5.880 -26.078 1.00 53.41 H new ATOM 0 HB2 ALA A 118 -10.805 -4.341 -25.219 1.00 53.41 H new ATOM 0 HB3 ALA A 118 -10.727 -4.366 -26.997 1.00 53.41 H new TER 1820 ALA A 118