USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 840 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 32 ASN : amide:sc= -2.96! C(o=-1.8!,f=-9.2!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -171:sc= 1.18 (180deg=0.085) USER MOD Set 2.1: A 30 ASN : amide:sc= -1.89 X(o=-1.9,f=-2!) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 1 GLN N :NH3+ 143:sc= 0.204 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 8 SER OG : rot -41:sc= 0.646 USER MOD Single : A 9 GLN : amide:sc= 1.01 K(o=1,f=-11!) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00573 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 9:sc= 0.12 USER MOD Single : A 21 ASN : amide:sc= 0.609 K(o=0.61,f=-4.7!) USER MOD Single : A 23 ASN : amide:sc= -2.57! C(o=-2.6!,f=-2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -146:sc= -0.341 (180deg=-2.21!) USER MOD Single : A 39 SER OG : rot -71:sc= 0.679 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0494) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 63 THR OG1 : rot -170:sc= -0.172 USER MOD Single : A 64 GLN : amide:sc= 0.205 X(o=0.21,f=-0.19) USER MOD Single : A 66 ASN : amide:sc= 0.731 K(o=0.73,f=-2.7!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc=-3.05e-05 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0417 K(o=-0.042,f=-0.93) USER MOD Single : A 90 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.37) USER MOD Single : A 94 THR OG1 : rot 6:sc= 1.02 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.075) USER MOD Single : A 112 MET CE :methyl 141:sc= -0.195 (180deg=-0.697) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0.159 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 11:sc= 1.16 USER MOD Single : A 127 SER OG : rot 180:sc= -0.041 USER MOD Single : A 128 THR OG1 : rot 41:sc= 0.152 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 48.726 26.448 23.544 1.00 73.32 N ATOM 2 CA GLN A 1 48.767 25.297 22.617 1.00 24.01 C ATOM 3 C GLN A 1 47.802 25.592 21.471 1.00 21.44 C ATOM 4 O GLN A 1 46.908 26.403 21.681 1.00 74.11 O ATOM 5 CB GLN A 1 48.395 24.011 23.376 1.00 4.41 C ATOM 6 CG GLN A 1 48.607 22.696 22.601 1.00 32.35 C ATOM 7 CD GLN A 1 48.339 21.472 23.483 1.00 63.30 C ATOM 8 OE1 GLN A 1 47.718 21.578 24.527 1.00 45.11 O ATOM 9 NE2 GLN A 1 48.808 20.295 23.102 1.00 52.23 N ATOM 0 H1 GLN A 1 48.806 26.108 24.524 1.00 73.32 H new ATOM 0 H2 GLN A 1 49.517 27.090 23.335 1.00 73.32 H new ATOM 0 H3 GLN A 1 47.827 26.957 23.426 1.00 73.32 H new ATOM 0 HA GLN A 1 49.766 25.146 22.207 1.00 24.01 H new ATOM 0 HB2 GLN A 1 48.981 23.970 24.294 1.00 4.41 H new ATOM 0 HB3 GLN A 1 47.347 24.074 23.670 1.00 4.41 H new ATOM 0 HG2 GLN A 1 47.946 22.673 21.735 1.00 32.35 H new ATOM 0 HG3 GLN A 1 49.629 22.656 22.223 1.00 32.35 H new ATOM 0 HE21 GLN A 1 49.327 20.211 22.228 1.00 52.23 H new ATOM 0 HE22 GLN A 1 48.651 19.471 23.682 1.00 52.23 H new ATOM 16 N ALA A 2 47.977 24.964 20.297 1.00 45.11 N ATOM 17 CA ALA A 2 47.085 25.079 19.136 1.00 71.04 C ATOM 18 C ALA A 2 46.730 26.534 18.768 1.00 65.41 C ATOM 19 O ALA A 2 45.600 26.831 18.396 1.00 25.43 O ATOM 20 CB ALA A 2 45.857 24.175 19.338 1.00 55.52 C ATOM 0 H ALA A 2 48.768 24.343 20.126 1.00 45.11 H new ATOM 0 HA ALA A 2 47.626 24.723 18.259 1.00 71.04 H new ATOM 0 HB1 ALA A 2 45.196 24.261 18.476 1.00 55.52 H new ATOM 0 HB2 ALA A 2 46.181 23.140 19.445 1.00 55.52 H new ATOM 0 HB3 ALA A 2 45.323 24.482 20.237 1.00 55.52 H new ATOM 26 N GLN A 3 47.707 27.441 18.869 1.00 24.23 N ATOM 27 CA GLN A 3 47.621 28.744 18.223 1.00 63.42 C ATOM 28 C GLN A 3 47.595 28.522 16.708 1.00 4.14 C ATOM 29 O GLN A 3 48.242 27.594 16.220 1.00 12.55 O ATOM 30 CB GLN A 3 48.796 29.625 18.679 1.00 13.44 C ATOM 31 CG GLN A 3 50.182 29.070 18.288 1.00 2.22 C ATOM 32 CD GLN A 3 51.326 29.585 19.157 1.00 5.44 C ATOM 33 OE1 GLN A 3 51.244 29.561 20.378 1.00 14.11 O ATOM 34 NE2 GLN A 3 52.430 30.019 18.570 1.00 65.03 N ATOM 0 H GLN A 3 48.568 27.291 19.395 1.00 24.23 H new ATOM 0 HA GLN A 3 46.710 29.271 18.505 1.00 63.42 H new ATOM 0 HB2 GLN A 3 48.679 30.620 18.249 1.00 13.44 H new ATOM 0 HB3 GLN A 3 48.753 29.739 19.762 1.00 13.44 H new ATOM 0 HG2 GLN A 3 50.156 27.982 18.347 1.00 2.22 H new ATOM 0 HG3 GLN A 3 50.385 29.328 17.249 1.00 2.22 H new ATOM 0 HE21 GLN A 3 52.493 30.037 17.552 1.00 65.03 H new ATOM 0 HE22 GLN A 3 53.218 30.336 19.136 1.00 65.03 H new ATOM 41 N GLY A 4 46.856 29.345 15.972 1.00 21.23 N ATOM 42 CA GLY A 4 46.559 29.153 14.563 1.00 2.13 C ATOM 43 C GLY A 4 45.274 29.913 14.267 1.00 11.11 C ATOM 44 O GLY A 4 45.135 31.055 14.701 1.00 13.31 O ATOM 0 H GLY A 4 46.435 30.191 16.355 1.00 21.23 H new ATOM 0 HA2 GLY A 4 47.376 29.523 13.944 1.00 2.13 H new ATOM 0 HA3 GLY A 4 46.441 28.094 14.335 1.00 2.13 H new ATOM 48 N VAL A 5 44.327 29.279 13.578 1.00 0.42 N ATOM 49 CA VAL A 5 43.000 29.820 13.307 1.00 24.12 C ATOM 50 C VAL A 5 41.991 28.884 13.979 1.00 54.42 C ATOM 51 O VAL A 5 42.209 27.675 14.032 1.00 60.42 O ATOM 52 CB VAL A 5 42.821 30.014 11.784 1.00 51.14 C ATOM 53 CG1 VAL A 5 42.975 28.721 10.966 1.00 1.32 C ATOM 54 CG2 VAL A 5 41.480 30.685 11.457 1.00 33.41 C ATOM 0 H VAL A 5 44.467 28.349 13.183 1.00 0.42 H new ATOM 0 HA VAL A 5 42.843 30.814 13.726 1.00 24.12 H new ATOM 0 HB VAL A 5 43.638 30.671 11.486 1.00 51.14 H new ATOM 0 HG11 VAL A 5 42.835 28.941 9.908 1.00 1.32 H new ATOM 0 HG12 VAL A 5 43.972 28.308 11.122 1.00 1.32 H new ATOM 0 HG13 VAL A 5 42.227 27.996 11.287 1.00 1.32 H new ATOM 0 HG21 VAL A 5 41.387 30.806 10.378 1.00 33.41 H new ATOM 0 HG22 VAL A 5 40.663 30.064 11.824 1.00 33.41 H new ATOM 0 HG23 VAL A 5 41.436 31.663 11.937 1.00 33.41 H new ATOM 64 N LEU A 6 40.929 29.454 14.555 1.00 52.51 N ATOM 65 CA LEU A 6 40.027 28.782 15.498 1.00 73.23 C ATOM 66 C LEU A 6 38.563 29.176 15.231 1.00 51.30 C ATOM 67 O LEU A 6 37.720 29.091 16.128 1.00 40.11 O ATOM 68 CB LEU A 6 40.457 29.124 16.947 1.00 33.41 C ATOM 69 CG LEU A 6 41.842 28.588 17.376 1.00 15.42 C ATOM 70 CD1 LEU A 6 42.240 29.190 18.729 1.00 52.21 C ATOM 71 CD2 LEU A 6 41.867 27.059 17.483 1.00 14.22 C ATOM 0 H LEU A 6 40.665 30.422 14.374 1.00 52.51 H new ATOM 0 HA LEU A 6 40.095 27.703 15.360 1.00 73.23 H new ATOM 0 HB2 LEU A 6 40.455 30.208 17.061 1.00 33.41 H new ATOM 0 HB3 LEU A 6 39.706 28.730 17.632 1.00 33.41 H new ATOM 0 HG LEU A 6 42.552 28.884 16.604 1.00 15.42 H new ATOM 0 HD11 LEU A 6 43.217 28.807 19.024 1.00 52.21 H new ATOM 0 HD12 LEU A 6 42.286 30.276 18.645 1.00 52.21 H new ATOM 0 HD13 LEU A 6 41.500 28.915 19.481 1.00 52.21 H new ATOM 0 HD21 LEU A 6 42.861 26.732 17.787 1.00 14.22 H new ATOM 0 HD22 LEU A 6 41.136 26.734 18.223 1.00 14.22 H new ATOM 0 HD23 LEU A 6 41.622 26.622 16.515 1.00 14.22 H new ATOM 82 N ALA A 7 38.256 29.660 14.022 1.00 15.31 N ATOM 83 CA ALA A 7 36.966 30.250 13.690 1.00 75.12 C ATOM 84 C ALA A 7 36.224 29.410 12.663 1.00 20.23 C ATOM 85 O ALA A 7 36.792 29.026 11.644 1.00 43.21 O ATOM 86 CB ALA A 7 37.152 31.694 13.213 1.00 75.13 C ATOM 0 H ALA A 7 38.910 29.650 13.240 1.00 15.31 H new ATOM 0 HA ALA A 7 36.351 30.268 14.590 1.00 75.12 H new ATOM 0 HB1 ALA A 7 36.181 32.124 12.968 1.00 75.13 H new ATOM 0 HB2 ALA A 7 37.620 32.281 14.003 1.00 75.13 H new ATOM 0 HB3 ALA A 7 37.788 31.706 12.328 1.00 75.13 H new ATOM 92 N SER A 8 34.955 29.129 12.960 1.00 53.21 N ATOM 93 CA SER A 8 34.032 28.335 12.157 1.00 3.51 C ATOM 94 C SER A 8 32.574 28.488 12.643 1.00 60.32 C ATOM 95 O SER A 8 31.712 27.702 12.245 1.00 52.41 O ATOM 96 CB SER A 8 34.478 26.868 12.252 1.00 1.45 C ATOM 97 OG SER A 8 33.738 26.073 11.343 1.00 11.42 O ATOM 0 H SER A 8 34.521 29.470 13.818 1.00 53.21 H new ATOM 0 HA SER A 8 34.055 28.682 11.124 1.00 3.51 H new ATOM 0 HB2 SER A 8 35.543 26.789 12.033 1.00 1.45 H new ATOM 0 HB3 SER A 8 34.334 26.501 13.268 1.00 1.45 H new ATOM 0 HG SER A 8 32.801 26.359 11.346 1.00 11.42 H new ATOM 102 N GLN A 9 32.304 29.408 13.572 1.00 4.31 N ATOM 103 CA GLN A 9 31.068 29.476 14.332 1.00 24.35 C ATOM 104 C GLN A 9 29.978 30.113 13.463 1.00 2.11 C ATOM 105 O GLN A 9 29.963 31.331 13.286 1.00 40.22 O ATOM 106 CB GLN A 9 31.288 30.263 15.643 1.00 15.23 C ATOM 107 CG GLN A 9 32.311 29.650 16.631 1.00 75.10 C ATOM 108 CD GLN A 9 33.788 29.858 16.261 1.00 0.12 C ATOM 109 OE1 GLN A 9 34.121 30.560 15.314 1.00 14.24 O ATOM 110 NE2 GLN A 9 34.714 29.212 16.954 1.00 60.11 N ATOM 0 H GLN A 9 32.964 30.146 13.819 1.00 4.31 H new ATOM 0 HA GLN A 9 30.745 28.472 14.608 1.00 24.35 H new ATOM 0 HB2 GLN A 9 31.615 31.271 15.389 1.00 15.23 H new ATOM 0 HB3 GLN A 9 30.330 30.358 16.153 1.00 15.23 H new ATOM 0 HG2 GLN A 9 32.138 30.077 17.619 1.00 75.10 H new ATOM 0 HG3 GLN A 9 32.120 28.580 16.708 1.00 75.10 H new ATOM 0 HE21 GLN A 9 34.444 28.626 17.744 1.00 60.11 H new ATOM 0 HE22 GLN A 9 35.697 29.301 16.698 1.00 60.11 H new ATOM 117 N ALA A 10 29.058 29.305 12.937 1.00 33.35 N ATOM 118 CA ALA A 10 27.839 29.745 12.269 1.00 40.54 C ATOM 119 C ALA A 10 26.680 28.895 12.782 1.00 40.34 C ATOM 120 O ALA A 10 26.888 27.734 13.130 1.00 44.21 O ATOM 121 CB ALA A 10 27.991 29.606 10.753 1.00 3.43 C ATOM 0 H ALA A 10 29.147 28.289 12.967 1.00 33.35 H new ATOM 0 HA ALA A 10 27.644 30.795 12.486 1.00 40.54 H new ATOM 0 HB1 ALA A 10 27.075 29.937 10.264 1.00 3.43 H new ATOM 0 HB2 ALA A 10 28.826 30.219 10.413 1.00 3.43 H new ATOM 0 HB3 ALA A 10 28.180 28.563 10.500 1.00 3.43 H new ATOM 127 N LEU A 11 25.486 29.484 12.819 1.00 0.21 N ATOM 128 CA LEU A 11 24.210 28.903 13.218 1.00 22.25 C ATOM 129 C LEU A 11 23.154 29.381 12.232 1.00 55.10 C ATOM 130 O LEU A 11 23.166 30.563 11.872 1.00 21.22 O ATOM 131 CB LEU A 11 23.797 29.420 14.607 1.00 74.41 C ATOM 132 CG LEU A 11 24.743 29.067 15.760 1.00 35.43 C ATOM 133 CD1 LEU A 11 24.186 29.674 17.047 1.00 12.53 C ATOM 134 CD2 LEU A 11 24.894 27.552 15.907 1.00 75.11 C ATOM 0 H LEU A 11 25.380 30.461 12.548 1.00 0.21 H new ATOM 0 HA LEU A 11 24.300 27.817 13.238 1.00 22.25 H new ATOM 0 HB2 LEU A 11 23.705 30.505 14.557 1.00 74.41 H new ATOM 0 HB3 LEU A 11 22.808 29.027 14.841 1.00 74.41 H new ATOM 0 HG LEU A 11 25.733 29.474 15.552 1.00 35.43 H new ATOM 0 HD11 LEU A 11 24.847 29.432 17.879 1.00 12.53 H new ATOM 0 HD12 LEU A 11 24.119 30.757 16.939 1.00 12.53 H new ATOM 0 HD13 LEU A 11 23.194 29.266 17.242 1.00 12.53 H new ATOM 0 HD21 LEU A 11 25.571 27.332 16.733 1.00 75.11 H new ATOM 0 HD22 LEU A 11 23.920 27.107 16.108 1.00 75.11 H new ATOM 0 HD23 LEU A 11 25.299 27.136 14.985 1.00 75.11 H new ATOM 145 N SER A 12 22.216 28.520 11.851 1.00 32.05 N ATOM 146 CA SER A 12 21.166 28.869 10.906 1.00 13.44 C ATOM 147 C SER A 12 19.915 28.072 11.251 1.00 63.34 C ATOM 148 O SER A 12 19.957 26.843 11.311 1.00 24.41 O ATOM 149 CB SER A 12 21.617 28.554 9.475 1.00 1.41 C ATOM 150 OG SER A 12 22.872 29.132 9.175 1.00 64.44 O ATOM 0 H SER A 12 22.164 27.560 12.190 1.00 32.05 H new ATOM 0 HA SER A 12 20.952 29.936 10.969 1.00 13.44 H new ATOM 0 HB2 SER A 12 21.675 27.474 9.343 1.00 1.41 H new ATOM 0 HB3 SER A 12 20.871 28.922 8.771 1.00 1.41 H new ATOM 0 HG SER A 12 23.124 28.907 8.255 1.00 64.44 H new ATOM 155 N GLN A 13 18.795 28.753 11.473 1.00 42.13 N ATOM 156 CA GLN A 13 17.476 28.144 11.550 1.00 15.55 C ATOM 157 C GLN A 13 16.451 29.238 11.248 1.00 71.43 C ATOM 158 O GLN A 13 16.740 30.422 11.451 1.00 75.12 O ATOM 159 CB GLN A 13 17.250 27.546 12.952 1.00 43.53 C ATOM 160 CG GLN A 13 16.362 26.290 12.921 1.00 44.23 C ATOM 161 CD GLN A 13 16.183 25.702 14.320 1.00 51.33 C ATOM 162 OE1 GLN A 13 17.119 25.625 15.111 1.00 4.42 O ATOM 163 NE2 GLN A 13 14.982 25.303 14.693 1.00 24.24 N ATOM 0 H GLN A 13 18.781 29.764 11.607 1.00 42.13 H new ATOM 0 HA GLN A 13 17.378 27.331 10.831 1.00 15.55 H new ATOM 0 HB2 GLN A 13 18.213 27.295 13.396 1.00 43.53 H new ATOM 0 HB3 GLN A 13 16.789 28.297 13.594 1.00 43.53 H new ATOM 0 HG2 GLN A 13 15.387 26.541 12.502 1.00 44.23 H new ATOM 0 HG3 GLN A 13 16.808 25.543 12.264 1.00 44.23 H new ATOM 0 HE21 GLN A 13 14.199 25.364 14.042 1.00 24.24 H new ATOM 0 HE22 GLN A 13 14.836 24.934 15.633 1.00 24.24 H new ATOM 170 N GLY A 14 15.263 28.846 10.787 1.00 42.13 N ATOM 171 CA GLY A 14 14.115 29.717 10.615 1.00 74.44 C ATOM 172 C GLY A 14 12.950 29.150 11.408 1.00 15.51 C ATOM 173 O GLY A 14 13.134 28.750 12.558 1.00 21.32 O ATOM 0 H GLY A 14 15.074 27.881 10.516 1.00 42.13 H new ATOM 0 HA2 GLY A 14 14.351 30.725 10.958 1.00 74.44 H new ATOM 0 HA3 GLY A 14 13.853 29.792 9.560 1.00 74.44 H new ATOM 177 N SER A 15 11.763 29.119 10.815 1.00 2.45 N ATOM 178 CA SER A 15 10.575 28.475 11.335 1.00 11.12 C ATOM 179 C SER A 15 9.669 28.228 10.133 1.00 51.12 C ATOM 180 O SER A 15 9.774 28.940 9.130 1.00 20.15 O ATOM 181 CB SER A 15 9.901 29.353 12.399 1.00 60.30 C ATOM 182 OG SER A 15 9.891 30.745 12.088 1.00 34.05 O ATOM 0 H SER A 15 11.600 29.567 9.913 1.00 2.45 H new ATOM 0 HA SER A 15 10.809 27.535 11.835 1.00 11.12 H new ATOM 0 HB2 SER A 15 8.874 29.015 12.535 1.00 60.30 H new ATOM 0 HB3 SER A 15 10.413 29.208 13.351 1.00 60.30 H new ATOM 0 HG SER A 15 9.445 31.238 12.808 1.00 34.05 H new ATOM 187 N GLU A 16 8.787 27.244 10.230 1.00 73.12 N ATOM 188 CA GLU A 16 7.934 26.788 9.138 1.00 31.34 C ATOM 189 C GLU A 16 6.519 26.605 9.708 1.00 54.41 C ATOM 190 O GLU A 16 6.130 25.482 10.041 1.00 24.41 O ATOM 191 CB GLU A 16 8.551 25.522 8.514 1.00 24.05 C ATOM 192 CG GLU A 16 9.813 25.871 7.701 1.00 15.24 C ATOM 193 CD GLU A 16 10.672 24.650 7.413 1.00 60.14 C ATOM 194 OE1 GLU A 16 10.274 23.811 6.572 1.00 14.51 O ATOM 195 OE2 GLU A 16 11.739 24.496 8.043 1.00 4.54 O ATOM 0 H GLU A 16 8.639 26.724 11.095 1.00 73.12 H new ATOM 0 HA GLU A 16 7.860 27.506 8.321 1.00 31.34 H new ATOM 0 HB2 GLU A 16 8.805 24.810 9.300 1.00 24.05 H new ATOM 0 HB3 GLU A 16 7.820 25.036 7.868 1.00 24.05 H new ATOM 0 HG2 GLU A 16 9.519 26.335 6.760 1.00 15.24 H new ATOM 0 HG3 GLU A 16 10.403 26.606 8.248 1.00 15.24 H new ATOM 200 N PRO A 17 5.781 27.715 9.915 1.00 71.24 N ATOM 201 CA PRO A 17 4.411 27.712 10.419 1.00 12.14 C ATOM 202 C PRO A 17 3.408 27.283 9.330 1.00 14.25 C ATOM 203 O PRO A 17 3.788 26.788 8.268 1.00 52.33 O ATOM 204 CB PRO A 17 4.192 29.154 10.906 1.00 3.34 C ATOM 205 CG PRO A 17 5.010 29.981 9.920 1.00 20.12 C ATOM 206 CD PRO A 17 6.232 29.093 9.717 1.00 4.35 C ATOM 0 HA PRO A 17 4.252 26.991 11.221 1.00 12.14 H new ATOM 0 HB2 PRO A 17 3.138 29.430 10.886 1.00 3.34 H new ATOM 0 HB3 PRO A 17 4.538 29.290 11.931 1.00 3.34 H new ATOM 0 HG2 PRO A 17 4.472 30.158 8.988 1.00 20.12 H new ATOM 0 HG3 PRO A 17 5.276 30.957 10.325 1.00 20.12 H new ATOM 0 HD2 PRO A 17 6.646 29.226 8.718 1.00 4.35 H new ATOM 0 HD3 PRO A 17 7.020 29.349 10.425 1.00 4.35 H new ATOM 211 N SER A 18 2.114 27.484 9.601 1.00 4.54 N ATOM 212 CA SER A 18 0.991 27.212 8.712 1.00 55.32 C ATOM 213 C SER A 18 0.930 25.726 8.354 1.00 71.24 C ATOM 214 O SER A 18 1.501 25.246 7.376 1.00 41.53 O ATOM 215 CB SER A 18 1.027 28.156 7.504 1.00 42.43 C ATOM 216 OG SER A 18 0.898 29.495 7.960 1.00 40.32 O ATOM 0 H SER A 18 1.811 27.862 10.498 1.00 4.54 H new ATOM 0 HA SER A 18 0.053 27.423 9.225 1.00 55.32 H new ATOM 0 HB2 SER A 18 1.962 28.033 6.958 1.00 42.43 H new ATOM 0 HB3 SER A 18 0.220 27.914 6.813 1.00 42.43 H new ATOM 0 HG SER A 18 0.922 30.105 7.194 1.00 40.32 H new ATOM 221 N SER A 19 0.236 24.968 9.195 1.00 3.11 N ATOM 222 CA SER A 19 0.037 23.547 9.011 1.00 20.24 C ATOM 223 C SER A 19 -1.412 23.204 9.319 1.00 22.13 C ATOM 224 O SER A 19 -1.765 22.920 10.465 1.00 3.43 O ATOM 225 CB SER A 19 1.085 22.770 9.813 1.00 42.14 C ATOM 226 OG SER A 19 2.325 22.815 9.114 1.00 54.43 O ATOM 0 H SER A 19 -0.209 25.336 10.036 1.00 3.11 H new ATOM 0 HA SER A 19 0.196 23.245 7.976 1.00 20.24 H new ATOM 0 HB2 SER A 19 1.196 23.203 10.807 1.00 42.14 H new ATOM 0 HB3 SER A 19 0.766 21.737 9.949 1.00 42.14 H new ATOM 0 HG SER A 19 2.258 23.450 8.370 1.00 54.43 H new ATOM 231 N GLU A 20 -2.257 23.311 8.292 1.00 13.25 N ATOM 232 CA GLU A 20 -3.657 22.902 8.317 1.00 1.54 C ATOM 233 C GLU A 20 -3.860 21.711 7.377 1.00 21.31 C ATOM 234 O GLU A 20 -4.602 20.785 7.701 1.00 11.34 O ATOM 235 CB GLU A 20 -4.583 24.044 7.860 1.00 35.33 C ATOM 236 CG GLU A 20 -4.586 25.318 8.717 1.00 55.50 C ATOM 237 CD GLU A 20 -5.543 26.375 8.137 1.00 63.02 C ATOM 238 OE1 GLU A 20 -6.670 26.038 7.711 1.00 35.05 O ATOM 239 OE2 GLU A 20 -5.159 27.564 8.044 1.00 54.40 O ATOM 0 H GLU A 20 -1.973 23.698 7.392 1.00 13.25 H new ATOM 0 HA GLU A 20 -3.907 22.632 9.343 1.00 1.54 H new ATOM 0 HB2 GLU A 20 -4.306 24.320 6.843 1.00 35.33 H new ATOM 0 HB3 GLU A 20 -5.602 23.659 7.819 1.00 35.33 H new ATOM 0 HG2 GLU A 20 -4.884 25.073 9.736 1.00 55.50 H new ATOM 0 HG3 GLU A 20 -3.577 25.727 8.770 1.00 55.50 H new ATOM 244 N ASN A 21 -3.286 21.757 6.166 1.00 52.02 N ATOM 245 CA ASN A 21 -3.522 20.732 5.151 1.00 75.52 C ATOM 246 C ASN A 21 -2.774 19.469 5.558 1.00 72.12 C ATOM 247 O ASN A 21 -1.581 19.538 5.879 1.00 52.41 O ATOM 248 CB ASN A 21 -3.036 21.209 3.766 1.00 41.42 C ATOM 249 CG ASN A 21 -4.010 22.087 2.982 1.00 55.01 C ATOM 250 OD1 ASN A 21 -3.785 22.350 1.803 1.00 44.03 O ATOM 251 ND2 ASN A 21 -5.098 22.572 3.556 1.00 71.54 N ATOM 0 H ASN A 21 -2.652 22.499 5.869 1.00 52.02 H new ATOM 0 HA ASN A 21 -4.591 20.532 5.080 1.00 75.52 H new ATOM 0 HB2 ASN A 21 -2.106 21.762 3.899 1.00 41.42 H new ATOM 0 HB3 ASN A 21 -2.802 20.332 3.163 1.00 41.42 H new ATOM 0 HD21 ASN A 21 -5.739 23.157 3.021 1.00 71.54 H new ATOM 0 HD22 ASN A 21 -5.296 22.361 4.534 1.00 71.54 H new ATOM 257 N ALA A 22 -3.424 18.305 5.510 1.00 60.33 N ATOM 258 CA ALA A 22 -2.780 17.025 5.762 1.00 11.13 C ATOM 259 C ALA A 22 -3.463 15.908 4.973 1.00 0.35 C ATOM 260 O ALA A 22 -4.596 16.037 4.503 1.00 31.11 O ATOM 261 CB ALA A 22 -2.804 16.730 7.270 1.00 22.35 C ATOM 0 H ALA A 22 -4.418 18.229 5.293 1.00 60.33 H new ATOM 0 HA ALA A 22 -1.744 17.074 5.428 1.00 11.13 H new ATOM 0 HB1 ALA A 22 -2.322 15.771 7.461 1.00 22.35 H new ATOM 0 HB2 ALA A 22 -2.271 17.517 7.803 1.00 22.35 H new ATOM 0 HB3 ALA A 22 -3.837 16.692 7.617 1.00 22.35 H new ATOM 267 N ASN A 23 -2.778 14.769 4.892 1.00 41.40 N ATOM 268 CA ASN A 23 -3.303 13.490 4.431 1.00 51.14 C ATOM 269 C ASN A 23 -2.726 12.393 5.335 1.00 42.00 C ATOM 270 O ASN A 23 -2.060 12.686 6.338 1.00 40.24 O ATOM 271 CB ASN A 23 -3.019 13.301 2.925 1.00 4.14 C ATOM 272 CG ASN A 23 -3.674 12.054 2.323 1.00 20.21 C ATOM 273 OD1 ASN A 23 -3.047 11.308 1.578 1.00 20.51 O ATOM 274 ND2 ASN A 23 -4.931 11.779 2.638 1.00 61.54 N ATOM 0 H ASN A 23 -1.795 14.713 5.159 1.00 41.40 H new ATOM 0 HA ASN A 23 -4.389 13.443 4.513 1.00 51.14 H new ATOM 0 HB2 ASN A 23 -3.370 14.181 2.386 1.00 4.14 H new ATOM 0 HB3 ASN A 23 -1.941 13.243 2.773 1.00 4.14 H new ATOM 0 HD21 ASN A 23 -5.380 10.945 2.261 1.00 61.54 H new ATOM 0 HD22 ASN A 23 -5.449 12.402 3.258 1.00 61.54 H new ATOM 280 N ASP A 24 -3.071 11.143 5.064 1.00 41.41 N ATOM 281 CA ASP A 24 -2.888 9.967 5.899 1.00 52.42 C ATOM 282 C ASP A 24 -2.617 8.839 4.921 1.00 41.10 C ATOM 283 O ASP A 24 -3.309 8.670 3.916 1.00 42.01 O ATOM 284 CB ASP A 24 -4.101 9.671 6.798 1.00 23.32 C ATOM 285 CG ASP A 24 -5.426 10.160 6.240 1.00 63.54 C ATOM 286 OD1 ASP A 24 -5.660 11.389 6.338 1.00 41.40 O ATOM 287 OD2 ASP A 24 -6.233 9.331 5.774 1.00 20.45 O ATOM 0 H ASP A 24 -3.524 10.907 4.181 1.00 41.41 H new ATOM 0 HA ASP A 24 -2.070 10.108 6.605 1.00 52.42 H new ATOM 0 HB2 ASP A 24 -4.164 8.595 6.961 1.00 23.32 H new ATOM 0 HB3 ASP A 24 -3.938 10.132 7.772 1.00 23.32 H new ATOM 291 N THR A 25 -1.486 8.182 5.121 1.00 24.34 N ATOM 292 CA THR A 25 -0.866 7.240 4.196 1.00 74.11 C ATOM 293 C THR A 25 0.178 6.433 4.979 1.00 4.14 C ATOM 294 O THR A 25 0.746 6.943 5.950 1.00 20.51 O ATOM 295 CB THR A 25 -0.157 8.035 3.081 1.00 0.21 C ATOM 296 OG1 THR A 25 -0.928 9.105 2.567 1.00 41.24 O ATOM 297 CG2 THR A 25 0.244 7.142 1.913 1.00 12.42 C ATOM 0 H THR A 25 -0.945 8.296 5.978 1.00 24.34 H new ATOM 0 HA THR A 25 -1.612 6.577 3.757 1.00 74.11 H new ATOM 0 HB THR A 25 0.728 8.447 3.566 1.00 0.21 H new ATOM 0 HG1 THR A 25 -0.421 9.567 1.867 1.00 41.24 H new ATOM 0 HG21 THR A 25 0.740 7.742 1.150 1.00 12.42 H new ATOM 0 HG22 THR A 25 0.925 6.367 2.265 1.00 12.42 H new ATOM 0 HG23 THR A 25 -0.646 6.678 1.488 1.00 12.42 H new ATOM 305 N ILE A 26 0.493 5.212 4.553 1.00 12.24 N ATOM 306 CA ILE A 26 1.578 4.422 5.133 1.00 35.45 C ATOM 307 C ILE A 26 2.745 4.382 4.142 1.00 1.42 C ATOM 308 O ILE A 26 2.560 4.565 2.933 1.00 13.32 O ATOM 309 CB ILE A 26 1.011 3.054 5.528 1.00 75.53 C ATOM 310 CG1 ILE A 26 0.091 3.196 6.754 1.00 15.25 C ATOM 311 CG2 ILE A 26 2.060 1.977 5.793 1.00 52.44 C ATOM 312 CD1 ILE A 26 -0.792 1.966 6.885 1.00 72.32 C ATOM 0 H ILE A 26 0.002 4.741 3.793 1.00 12.24 H new ATOM 0 HA ILE A 26 1.984 4.861 6.044 1.00 35.45 H new ATOM 0 HB ILE A 26 0.450 2.713 4.658 1.00 75.53 H new ATOM 0 HG12 ILE A 26 0.690 3.322 7.656 1.00 15.25 H new ATOM 0 HG13 ILE A 26 -0.527 4.089 6.654 1.00 15.25 H new ATOM 0 HG21 ILE A 26 1.564 1.045 6.065 1.00 52.44 H new ATOM 0 HG22 ILE A 26 2.657 1.821 4.894 1.00 52.44 H new ATOM 0 HG23 ILE A 26 2.709 2.294 6.609 1.00 52.44 H new ATOM 0 HD11 ILE A 26 -1.440 2.074 7.755 1.00 72.32 H new ATOM 0 HD12 ILE A 26 -1.403 1.859 5.989 1.00 72.32 H new ATOM 0 HD13 ILE A 26 -0.167 1.081 7.006 1.00 72.32 H new ATOM 323 N ILE A 27 3.955 4.187 4.660 1.00 62.14 N ATOM 324 CA ILE A 27 5.189 4.105 3.886 1.00 71.33 C ATOM 325 C ILE A 27 5.888 2.817 4.329 1.00 72.51 C ATOM 326 O ILE A 27 5.970 2.515 5.523 1.00 33.52 O ATOM 327 CB ILE A 27 6.008 5.415 4.046 1.00 64.23 C ATOM 328 CG1 ILE A 27 7.040 5.670 2.920 1.00 2.25 C ATOM 329 CG2 ILE A 27 6.702 5.542 5.401 1.00 13.34 C ATOM 330 CD1 ILE A 27 6.390 6.396 1.742 1.00 22.44 C ATOM 0 H ILE A 27 4.108 4.078 5.663 1.00 62.14 H new ATOM 0 HA ILE A 27 5.028 4.037 2.810 1.00 71.33 H new ATOM 0 HB ILE A 27 5.240 6.185 3.973 1.00 64.23 H new ATOM 0 HG12 ILE A 27 7.868 6.264 3.307 1.00 2.25 H new ATOM 0 HG13 ILE A 27 7.458 4.722 2.583 1.00 2.25 H new ATOM 0 HG21 ILE A 27 7.254 6.481 5.440 1.00 13.34 H new ATOM 0 HG22 ILE A 27 5.955 5.527 6.195 1.00 13.34 H new ATOM 0 HG23 ILE A 27 7.392 4.709 5.536 1.00 13.34 H new ATOM 0 HD11 ILE A 27 7.134 6.564 0.963 1.00 22.44 H new ATOM 0 HD12 ILE A 27 5.578 5.788 1.343 1.00 22.44 H new ATOM 0 HD13 ILE A 27 5.994 7.354 2.079 1.00 22.44 H new ATOM 341 N LEU A 28 6.322 2.005 3.372 1.00 12.14 N ATOM 342 CA LEU A 28 7.126 0.820 3.630 1.00 11.43 C ATOM 343 C LEU A 28 8.583 1.263 3.607 1.00 75.54 C ATOM 344 O LEU A 28 8.959 2.091 2.769 1.00 3.42 O ATOM 345 CB LEU A 28 6.904 -0.241 2.545 1.00 71.21 C ATOM 346 CG LEU A 28 5.540 -0.934 2.432 1.00 3.11 C ATOM 347 CD1 LEU A 28 5.077 -1.488 3.775 1.00 14.12 C ATOM 348 CD2 LEU A 28 4.455 -0.029 1.852 1.00 42.03 C ATOM 0 H LEU A 28 6.122 2.154 2.383 1.00 12.14 H new ATOM 0 HA LEU A 28 6.850 0.380 4.588 1.00 11.43 H new ATOM 0 HB2 LEU A 28 7.113 0.227 1.583 1.00 71.21 H new ATOM 0 HB3 LEU A 28 7.654 -1.018 2.691 1.00 71.21 H new ATOM 0 HG LEU A 28 5.691 -1.759 1.736 1.00 3.11 H new ATOM 0 HD11 LEU A 28 4.107 -1.971 3.654 1.00 14.12 H new ATOM 0 HD12 LEU A 28 5.803 -2.216 4.138 1.00 14.12 H new ATOM 0 HD13 LEU A 28 4.989 -0.673 4.494 1.00 14.12 H new ATOM 0 HD21 LEU A 28 3.514 -0.577 1.798 1.00 42.03 H new ATOM 0 HD22 LEU A 28 4.329 0.845 2.492 1.00 42.03 H new ATOM 0 HD23 LEU A 28 4.746 0.293 0.852 1.00 42.03 H new ATOM 359 N ARG A 29 9.414 0.713 4.493 1.00 22.44 N ATOM 360 CA ARG A 29 10.829 1.076 4.615 1.00 71.44 C ATOM 361 C ARG A 29 11.655 -0.208 4.722 1.00 32.13 C ATOM 362 O ARG A 29 11.076 -1.283 4.892 1.00 61.41 O ATOM 363 CB ARG A 29 11.045 2.026 5.817 1.00 54.44 C ATOM 364 CG ARG A 29 10.050 3.206 5.868 1.00 31.43 C ATOM 365 CD ARG A 29 10.334 4.281 6.937 1.00 73.52 C ATOM 366 NE ARG A 29 11.681 4.897 6.950 1.00 63.34 N ATOM 367 CZ ARG A 29 12.496 5.266 5.949 1.00 44.20 C ATOM 368 NH1 ARG A 29 12.195 4.997 4.684 1.00 71.32 N ATOM 369 NH2 ARG A 29 13.626 5.912 6.209 1.00 74.43 N ATOM 0 H ARG A 29 9.121 -0.006 5.155 1.00 22.44 H new ATOM 0 HA ARG A 29 11.160 1.623 3.732 1.00 71.44 H new ATOM 0 HB2 ARG A 29 10.961 1.453 6.740 1.00 54.44 H new ATOM 0 HB3 ARG A 29 12.060 2.421 5.778 1.00 54.44 H new ATOM 0 HG2 ARG A 29 10.037 3.688 4.890 1.00 31.43 H new ATOM 0 HG3 ARG A 29 9.051 2.806 6.039 1.00 31.43 H new ATOM 0 HD2 ARG A 29 9.601 5.079 6.814 1.00 73.52 H new ATOM 0 HD3 ARG A 29 10.159 3.835 7.916 1.00 73.52 H new ATOM 0 HE ARG A 29 12.055 5.071 7.883 1.00 63.34 H new ATOM 0 HH11 ARG A 29 11.332 4.502 4.459 1.00 71.32 H new ATOM 0 HH12 ARG A 29 12.827 5.285 3.937 1.00 71.32 H new ATOM 0 HH21 ARG A 29 13.879 6.130 7.173 1.00 74.43 H new ATOM 0 HH22 ARG A 29 14.242 6.190 5.445 1.00 74.43 H new ATOM 380 N ASN A 30 12.983 -0.095 4.658 1.00 24.32 N ATOM 381 CA ASN A 30 13.936 -1.210 4.614 1.00 34.41 C ATOM 382 C ASN A 30 13.594 -2.238 3.528 1.00 53.43 C ATOM 383 O ASN A 30 13.462 -3.430 3.807 1.00 42.00 O ATOM 384 CB ASN A 30 14.072 -1.879 5.993 1.00 13.34 C ATOM 385 CG ASN A 30 15.278 -2.814 6.011 1.00 41.33 C ATOM 386 OD1 ASN A 30 16.386 -2.398 5.691 1.00 71.10 O ATOM 387 ND2 ASN A 30 15.113 -4.076 6.361 1.00 33.22 N ATOM 0 H ASN A 30 13.445 0.814 4.634 1.00 24.32 H new ATOM 0 HA ASN A 30 14.903 -0.784 4.345 1.00 34.41 H new ATOM 0 HB2 ASN A 30 14.182 -1.117 6.765 1.00 13.34 H new ATOM 0 HB3 ASN A 30 13.166 -2.439 6.224 1.00 13.34 H new ATOM 0 HD21 ASN A 30 15.910 -4.712 6.366 1.00 33.22 H new ATOM 0 HD22 ASN A 30 14.188 -4.415 6.626 1.00 33.22 H new ATOM 393 N LEU A 31 13.435 -1.798 2.279 1.00 44.02 N ATOM 394 CA LEU A 31 13.019 -2.683 1.194 1.00 34.13 C ATOM 395 C LEU A 31 14.149 -2.866 0.192 1.00 63.11 C ATOM 396 O LEU A 31 15.135 -2.130 0.228 1.00 1.43 O ATOM 397 CB LEU A 31 11.799 -2.120 0.476 1.00 3.43 C ATOM 398 CG LEU A 31 10.633 -1.618 1.322 1.00 24.35 C ATOM 399 CD1 LEU A 31 9.531 -1.147 0.365 1.00 44.44 C ATOM 400 CD2 LEU A 31 10.096 -2.700 2.254 1.00 31.12 C ATOM 0 H LEU A 31 13.589 -0.831 1.995 1.00 44.02 H new ATOM 0 HA LEU A 31 12.763 -3.648 1.631 1.00 34.13 H new ATOM 0 HB2 LEU A 31 12.134 -1.295 -0.153 1.00 3.43 H new ATOM 0 HB3 LEU A 31 11.418 -2.894 -0.190 1.00 3.43 H new ATOM 0 HG LEU A 31 10.975 -0.801 1.957 1.00 24.35 H new ATOM 0 HD11 LEU A 31 8.681 -0.781 0.941 1.00 44.44 H new ATOM 0 HD12 LEU A 31 9.915 -0.345 -0.265 1.00 44.44 H new ATOM 0 HD13 LEU A 31 9.213 -1.980 -0.262 1.00 44.44 H new ATOM 0 HD21 LEU A 31 9.267 -2.299 2.837 1.00 31.12 H new ATOM 0 HD22 LEU A 31 9.748 -3.548 1.664 1.00 31.12 H new ATOM 0 HD23 LEU A 31 10.889 -3.027 2.927 1.00 31.12 H new ATOM 411 N ASN A 32 14.008 -3.801 -0.748 1.00 53.01 N ATOM 412 CA ASN A 32 15.104 -4.173 -1.636 1.00 34.34 C ATOM 413 C ASN A 32 14.725 -4.056 -3.114 1.00 35.21 C ATOM 414 O ASN A 32 13.526 -4.058 -3.425 1.00 3.13 O ATOM 415 CB ASN A 32 15.584 -5.582 -1.241 1.00 13.12 C ATOM 416 CG ASN A 32 17.059 -5.559 -0.887 1.00 41.05 C ATOM 417 OD1 ASN A 32 17.530 -4.632 -0.237 1.00 61.13 O ATOM 418 ND2 ASN A 32 17.813 -6.543 -1.316 1.00 60.45 N ATOM 0 H ASN A 32 13.142 -4.314 -0.912 1.00 53.01 H new ATOM 0 HA ASN A 32 15.930 -3.472 -1.515 1.00 34.34 H new ATOM 0 HB2 ASN A 32 15.005 -5.945 -0.392 1.00 13.12 H new ATOM 0 HB3 ASN A 32 15.412 -6.276 -2.064 1.00 13.12 H new ATOM 0 HD21 ASN A 32 18.812 -6.547 -1.110 1.00 60.45 H new ATOM 0 HD22 ASN A 32 17.400 -7.304 -1.855 1.00 60.45 H new ATOM 424 N PRO A 33 15.702 -3.992 -4.039 1.00 15.32 N ATOM 425 CA PRO A 33 15.418 -3.763 -5.448 1.00 42.43 C ATOM 426 C PRO A 33 14.600 -4.902 -6.054 1.00 74.42 C ATOM 427 O PRO A 33 13.604 -4.634 -6.719 1.00 14.24 O ATOM 428 CB PRO A 33 16.775 -3.561 -6.129 1.00 74.22 C ATOM 429 CG PRO A 33 17.811 -4.100 -5.160 1.00 63.41 C ATOM 430 CD PRO A 33 17.142 -3.972 -3.804 1.00 2.34 C ATOM 0 HA PRO A 33 14.794 -2.881 -5.593 1.00 42.43 H new ATOM 0 HB2 PRO A 33 16.817 -4.091 -7.081 1.00 74.22 H new ATOM 0 HB3 PRO A 33 16.952 -2.507 -6.343 1.00 74.22 H new ATOM 0 HG2 PRO A 33 18.067 -5.136 -5.383 1.00 63.41 H new ATOM 0 HG3 PRO A 33 18.737 -3.526 -5.205 1.00 63.41 H new ATOM 0 HD2 PRO A 33 17.438 -4.791 -3.148 1.00 2.34 H new ATOM 0 HD3 PRO A 33 17.440 -3.046 -3.312 1.00 2.34 H new ATOM 435 N HIS A 34 14.962 -6.153 -5.758 1.00 33.34 N ATOM 436 CA HIS A 34 14.227 -7.356 -6.160 1.00 11.31 C ATOM 437 C HIS A 34 13.037 -7.684 -5.234 1.00 34.54 C ATOM 438 O HIS A 34 12.472 -8.773 -5.316 1.00 71.25 O ATOM 439 CB HIS A 34 15.221 -8.526 -6.241 1.00 0.23 C ATOM 440 CG HIS A 34 16.023 -8.517 -7.513 1.00 23.42 C ATOM 441 ND1 HIS A 34 15.680 -9.187 -8.666 1.00 40.03 N ATOM 442 CD2 HIS A 34 17.216 -7.880 -7.736 1.00 14.41 C ATOM 443 CE1 HIS A 34 16.651 -8.969 -9.565 1.00 63.42 C ATOM 444 NE2 HIS A 34 17.606 -8.176 -9.046 1.00 15.30 N ATOM 0 H HIS A 34 15.800 -6.363 -5.216 1.00 33.34 H new ATOM 0 HA HIS A 34 13.779 -7.174 -7.137 1.00 11.31 H new ATOM 0 HB2 HIS A 34 15.899 -8.482 -5.388 1.00 0.23 H new ATOM 0 HB3 HIS A 34 14.676 -9.467 -6.166 1.00 0.23 H new ATOM 0 HD2 HIS A 34 17.755 -7.264 -7.031 1.00 14.41 H new ATOM 0 HE1 HIS A 34 16.664 -9.374 -10.566 1.00 63.42 H new ATOM 0 HE2 HIS A 34 18.451 -7.853 -9.517 1.00 15.30 H new ATOM 451 N SER A 35 12.654 -6.789 -4.319 1.00 32.11 N ATOM 452 CA SER A 35 11.510 -6.992 -3.445 1.00 32.21 C ATOM 453 C SER A 35 10.201 -6.884 -4.259 1.00 54.13 C ATOM 454 O SER A 35 10.208 -6.641 -5.473 1.00 54.45 O ATOM 455 CB SER A 35 11.622 -6.007 -2.273 1.00 2.34 C ATOM 456 OG SER A 35 10.860 -6.325 -1.123 1.00 2.32 O ATOM 0 H SER A 35 13.135 -5.902 -4.168 1.00 32.11 H new ATOM 0 HA SER A 35 11.495 -7.994 -3.016 1.00 32.21 H new ATOM 0 HB2 SER A 35 12.670 -5.936 -1.982 1.00 2.34 H new ATOM 0 HB3 SER A 35 11.321 -5.020 -2.623 1.00 2.34 H new ATOM 0 HG SER A 35 11.002 -5.640 -0.437 1.00 2.32 H new ATOM 461 N THR A 36 9.071 -7.062 -3.580 1.00 54.01 N ATOM 462 CA THR A 36 7.759 -7.292 -4.174 1.00 32.50 C ATOM 463 C THR A 36 6.663 -6.672 -3.302 1.00 31.11 C ATOM 464 O THR A 36 6.744 -6.739 -2.069 1.00 0.31 O ATOM 465 CB THR A 36 7.551 -8.820 -4.344 1.00 12.13 C ATOM 466 OG1 THR A 36 8.152 -9.581 -3.301 1.00 20.30 O ATOM 467 CG2 THR A 36 8.134 -9.310 -5.664 1.00 53.45 C ATOM 0 H THR A 36 9.044 -7.049 -2.560 1.00 54.01 H new ATOM 0 HA THR A 36 7.703 -6.815 -5.153 1.00 32.50 H new ATOM 0 HB THR A 36 6.472 -8.968 -4.316 1.00 12.13 H new ATOM 0 HG1 THR A 36 7.989 -10.535 -3.456 1.00 20.30 H new ATOM 0 HG21 THR A 36 7.974 -10.384 -5.756 1.00 53.45 H new ATOM 0 HG22 THR A 36 7.643 -8.798 -6.491 1.00 53.45 H new ATOM 0 HG23 THR A 36 9.203 -9.099 -5.690 1.00 53.45 H new ATOM 475 N MET A 37 5.608 -6.129 -3.929 1.00 71.22 N ATOM 476 CA MET A 37 4.330 -5.796 -3.302 1.00 33.51 C ATOM 477 C MET A 37 3.780 -6.971 -2.493 1.00 51.23 C ATOM 478 O MET A 37 3.128 -6.753 -1.477 1.00 3.41 O ATOM 479 CB MET A 37 3.311 -5.373 -4.387 1.00 4.32 C ATOM 480 CG MET A 37 1.874 -5.290 -3.844 1.00 62.31 C ATOM 481 SD MET A 37 0.575 -4.720 -4.966 1.00 72.11 S ATOM 482 CE MET A 37 1.267 -3.137 -5.465 1.00 35.20 C ATOM 0 H MET A 37 5.628 -5.903 -4.924 1.00 71.22 H new ATOM 0 HA MET A 37 4.495 -4.967 -2.613 1.00 33.51 H new ATOM 0 HB2 MET A 37 3.599 -4.404 -4.793 1.00 4.32 H new ATOM 0 HB3 MET A 37 3.344 -6.086 -5.210 1.00 4.32 H new ATOM 0 HG2 MET A 37 1.595 -6.281 -3.485 1.00 62.31 H new ATOM 0 HG3 MET A 37 1.882 -4.628 -2.978 1.00 62.31 H new ATOM 0 HE1 MET A 37 0.461 -2.420 -5.621 1.00 35.20 H new ATOM 0 HE2 MET A 37 1.933 -2.769 -4.685 1.00 35.20 H new ATOM 0 HE3 MET A 37 1.827 -3.261 -6.392 1.00 35.20 H new ATOM 490 N ASP A 38 4.018 -8.203 -2.934 1.00 33.14 N ATOM 491 CA ASP A 38 3.312 -9.368 -2.416 1.00 31.13 C ATOM 492 C ASP A 38 3.557 -9.599 -0.919 1.00 32.41 C ATOM 493 O ASP A 38 2.671 -10.103 -0.240 1.00 71.13 O ATOM 494 CB ASP A 38 3.660 -10.610 -3.247 1.00 51.35 C ATOM 495 CG ASP A 38 2.380 -11.305 -3.692 1.00 54.44 C ATOM 496 OD1 ASP A 38 1.779 -10.842 -4.694 1.00 60.22 O ATOM 497 OD2 ASP A 38 1.989 -12.309 -3.061 1.00 63.22 O ATOM 0 H ASP A 38 4.703 -8.420 -3.658 1.00 33.14 H new ATOM 0 HA ASP A 38 2.244 -9.171 -2.512 1.00 31.13 H new ATOM 0 HB2 ASP A 38 4.251 -10.323 -4.117 1.00 51.35 H new ATOM 0 HB3 ASP A 38 4.271 -11.294 -2.658 1.00 51.35 H new ATOM 501 N SER A 39 4.680 -9.142 -0.353 1.00 44.34 N ATOM 502 CA SER A 39 4.896 -9.082 1.095 1.00 44.12 C ATOM 503 C SER A 39 3.781 -8.347 1.851 1.00 72.24 C ATOM 504 O SER A 39 3.419 -8.733 2.958 1.00 21.15 O ATOM 505 CB SER A 39 6.252 -8.426 1.386 1.00 14.31 C ATOM 506 OG SER A 39 6.511 -7.233 0.654 1.00 14.14 O ATOM 0 H SER A 39 5.473 -8.800 -0.895 1.00 44.34 H new ATOM 0 HA SER A 39 4.884 -10.110 1.458 1.00 44.12 H new ATOM 0 HB2 SER A 39 6.309 -8.201 2.451 1.00 14.31 H new ATOM 0 HB3 SER A 39 7.041 -9.146 1.170 1.00 14.31 H new ATOM 0 HG SER A 39 6.668 -7.454 -0.288 1.00 14.14 H new ATOM 511 N ILE A 40 3.218 -7.301 1.250 1.00 11.15 N ATOM 512 CA ILE A 40 2.171 -6.465 1.814 1.00 23.54 C ATOM 513 C ILE A 40 0.791 -7.082 1.525 1.00 41.34 C ATOM 514 O ILE A 40 -0.192 -6.630 2.108 1.00 2.22 O ATOM 515 CB ILE A 40 2.351 -5.002 1.323 1.00 2.02 C ATOM 516 CG1 ILE A 40 3.777 -4.458 1.608 1.00 63.33 C ATOM 517 CG2 ILE A 40 1.360 -4.026 1.977 1.00 73.31 C ATOM 518 CD1 ILE A 40 4.682 -4.438 0.372 1.00 53.31 C ATOM 0 H ILE A 40 3.495 -7.003 0.315 1.00 11.15 H new ATOM 0 HA ILE A 40 2.245 -6.423 2.901 1.00 23.54 H new ATOM 0 HB ILE A 40 2.168 -5.053 0.250 1.00 2.02 H new ATOM 0 HG12 ILE A 40 3.698 -3.447 2.007 1.00 63.33 H new ATOM 0 HG13 ILE A 40 4.243 -5.070 2.380 1.00 63.33 H new ATOM 0 HG21 ILE A 40 1.534 -3.020 1.595 1.00 73.31 H new ATOM 0 HG22 ILE A 40 0.340 -4.332 1.743 1.00 73.31 H new ATOM 0 HG23 ILE A 40 1.502 -4.033 3.058 1.00 73.31 H new ATOM 0 HD11 ILE A 40 5.662 -4.046 0.645 1.00 53.31 H new ATOM 0 HD12 ILE A 40 4.791 -5.451 -0.016 1.00 53.31 H new ATOM 0 HD13 ILE A 40 4.238 -3.802 -0.394 1.00 53.31 H new ATOM 529 N LEU A 41 0.693 -8.135 0.701 1.00 54.33 N ATOM 530 CA LEU A 41 -0.538 -8.894 0.435 1.00 13.05 C ATOM 531 C LEU A 41 -0.499 -10.306 1.048 1.00 24.55 C ATOM 532 O LEU A 41 -1.461 -11.066 0.914 1.00 2.22 O ATOM 533 CB LEU A 41 -0.844 -8.922 -1.070 1.00 24.43 C ATOM 534 CG LEU A 41 -1.013 -7.535 -1.720 1.00 60.12 C ATOM 535 CD1 LEU A 41 -1.351 -7.718 -3.195 1.00 55.12 C ATOM 536 CD2 LEU A 41 -2.116 -6.677 -1.086 1.00 3.22 C ATOM 0 H LEU A 41 1.495 -8.494 0.184 1.00 54.33 H new ATOM 0 HA LEU A 41 -1.359 -8.376 0.931 1.00 13.05 H new ATOM 0 HB2 LEU A 41 -0.040 -9.452 -1.580 1.00 24.43 H new ATOM 0 HB3 LEU A 41 -1.756 -9.497 -1.231 1.00 24.43 H new ATOM 0 HG LEU A 41 -0.069 -7.011 -1.569 1.00 60.12 H new ATOM 0 HD11 LEU A 41 -1.473 -6.742 -3.664 1.00 55.12 H new ATOM 0 HD12 LEU A 41 -0.544 -8.260 -3.689 1.00 55.12 H new ATOM 0 HD13 LEU A 41 -2.278 -8.283 -3.288 1.00 55.12 H new ATOM 0 HD21 LEU A 41 -2.171 -5.717 -1.600 1.00 3.22 H new ATOM 0 HD22 LEU A 41 -3.073 -7.191 -1.174 1.00 3.22 H new ATOM 0 HD23 LEU A 41 -1.889 -6.512 -0.033 1.00 3.22 H new ATOM 547 N GLY A 42 0.581 -10.643 1.757 1.00 52.44 N ATOM 548 CA GLY A 42 0.796 -11.929 2.415 1.00 52.33 C ATOM 549 C GLY A 42 1.008 -11.864 3.933 1.00 14.04 C ATOM 550 O GLY A 42 1.430 -12.881 4.492 1.00 23.14 O ATOM 0 H GLY A 42 1.360 -9.999 1.892 1.00 52.44 H new ATOM 0 HA2 GLY A 42 -0.062 -12.570 2.212 1.00 52.33 H new ATOM 0 HA3 GLY A 42 1.665 -12.408 1.964 1.00 52.33 H new ATOM 554 N ALA A 43 0.761 -10.725 4.599 1.00 71.43 N ATOM 555 CA ALA A 43 0.853 -10.626 6.068 1.00 51.20 C ATOM 556 C ALA A 43 -0.364 -9.994 6.744 1.00 3.25 C ATOM 557 O ALA A 43 -0.561 -10.183 7.945 1.00 41.34 O ATOM 558 CB ALA A 43 2.101 -9.837 6.481 1.00 62.14 C ATOM 0 H ALA A 43 0.494 -9.853 4.142 1.00 71.43 H new ATOM 0 HA ALA A 43 0.906 -11.660 6.409 1.00 51.20 H new ATOM 0 HB1 ALA A 43 2.150 -9.776 7.568 1.00 62.14 H new ATOM 0 HB2 ALA A 43 2.991 -10.342 6.106 1.00 62.14 H new ATOM 0 HB3 ALA A 43 2.051 -8.832 6.063 1.00 62.14 H new ATOM 564 N LEU A 44 -1.145 -9.205 6.019 1.00 35.12 N ATOM 565 CA LEU A 44 -2.214 -8.349 6.522 1.00 24.33 C ATOM 566 C LEU A 44 -3.556 -8.772 5.941 1.00 11.44 C ATOM 567 O LEU A 44 -4.556 -8.152 6.281 1.00 32.25 O ATOM 568 CB LEU A 44 -1.987 -6.851 6.192 1.00 24.13 C ATOM 569 CG LEU A 44 -0.649 -6.192 6.573 1.00 61.41 C ATOM 570 CD1 LEU A 44 -0.087 -6.703 7.897 1.00 54.21 C ATOM 571 CD2 LEU A 44 0.410 -6.321 5.471 1.00 35.21 C ATOM 0 H LEU A 44 -1.045 -9.141 5.006 1.00 35.12 H new ATOM 0 HA LEU A 44 -2.211 -8.466 7.606 1.00 24.33 H new ATOM 0 HB2 LEU A 44 -2.119 -6.728 5.117 1.00 24.13 H new ATOM 0 HB3 LEU A 44 -2.782 -6.284 6.677 1.00 24.13 H new ATOM 0 HG LEU A 44 -0.885 -5.135 6.696 1.00 61.41 H new ATOM 0 HD11 LEU A 44 0.857 -6.201 8.110 1.00 54.21 H new ATOM 0 HD12 LEU A 44 -0.797 -6.496 8.698 1.00 54.21 H new ATOM 0 HD13 LEU A 44 0.081 -7.778 7.830 1.00 54.21 H new ATOM 0 HD21 LEU A 44 1.332 -5.839 5.794 1.00 35.21 H new ATOM 0 HD22 LEU A 44 0.602 -7.375 5.273 1.00 35.21 H new ATOM 0 HD23 LEU A 44 0.049 -5.841 4.561 1.00 35.21 H new ATOM 582 N ALA A 45 -3.606 -9.771 5.054 1.00 24.54 N ATOM 583 CA ALA A 45 -4.793 -10.065 4.258 1.00 4.44 C ATOM 584 C ALA A 45 -6.045 -10.326 5.115 1.00 52.32 C ATOM 585 O ALA A 45 -7.046 -9.637 4.909 1.00 1.05 O ATOM 586 CB ALA A 45 -4.494 -11.166 3.241 1.00 44.23 C ATOM 0 H ALA A 45 -2.822 -10.397 4.871 1.00 24.54 H new ATOM 0 HA ALA A 45 -5.048 -9.170 3.690 1.00 4.44 H new ATOM 0 HB1 ALA A 45 -5.390 -11.373 2.655 1.00 44.23 H new ATOM 0 HB2 ALA A 45 -3.694 -10.840 2.577 1.00 44.23 H new ATOM 0 HB3 ALA A 45 -4.185 -12.071 3.765 1.00 44.23 H new ATOM 592 N PRO A 46 -6.028 -11.217 6.125 1.00 42.44 N ATOM 593 CA PRO A 46 -7.177 -11.376 7.009 1.00 2.13 C ATOM 594 C PRO A 46 -7.409 -10.169 7.933 1.00 34.54 C ATOM 595 O PRO A 46 -8.447 -10.114 8.589 1.00 62.40 O ATOM 596 CB PRO A 46 -6.919 -12.668 7.789 1.00 60.52 C ATOM 597 CG PRO A 46 -5.398 -12.775 7.812 1.00 53.02 C ATOM 598 CD PRO A 46 -4.966 -12.143 6.496 1.00 21.31 C ATOM 0 HA PRO A 46 -8.100 -11.433 6.431 1.00 2.13 H new ATOM 0 HB2 PRO A 46 -7.333 -12.618 8.796 1.00 60.52 H new ATOM 0 HB3 PRO A 46 -7.374 -13.529 7.300 1.00 60.52 H new ATOM 0 HG2 PRO A 46 -4.973 -12.248 8.667 1.00 53.02 H new ATOM 0 HG3 PRO A 46 -5.072 -13.813 7.883 1.00 53.02 H new ATOM 0 HD2 PRO A 46 -4.015 -11.621 6.608 1.00 21.31 H new ATOM 0 HD3 PRO A 46 -4.825 -12.902 5.727 1.00 21.31 H new ATOM 603 N TYR A 47 -6.512 -9.185 7.968 1.00 41.24 N ATOM 604 CA TYR A 47 -6.535 -8.004 8.829 1.00 1.24 C ATOM 605 C TYR A 47 -6.785 -6.727 8.014 1.00 1.32 C ATOM 606 O TYR A 47 -6.567 -5.628 8.523 1.00 62.21 O ATOM 607 CB TYR A 47 -5.224 -7.943 9.639 1.00 64.43 C ATOM 608 CG TYR A 47 -4.747 -9.274 10.208 1.00 52.21 C ATOM 609 CD1 TYR A 47 -5.665 -10.153 10.814 1.00 20.43 C ATOM 610 CD2 TYR A 47 -3.400 -9.664 10.082 1.00 41.03 C ATOM 611 CE1 TYR A 47 -5.256 -11.422 11.257 1.00 61.51 C ATOM 612 CE2 TYR A 47 -2.982 -10.937 10.513 1.00 34.12 C ATOM 613 CZ TYR A 47 -3.912 -11.830 11.090 1.00 0.13 C ATOM 614 OH TYR A 47 -3.519 -13.086 11.443 1.00 43.21 O ATOM 0 H TYR A 47 -5.696 -9.192 7.355 1.00 41.24 H new ATOM 0 HA TYR A 47 -7.365 -8.079 9.531 1.00 1.24 H new ATOM 0 HB2 TYR A 47 -4.440 -7.538 8.999 1.00 64.43 H new ATOM 0 HB3 TYR A 47 -5.357 -7.242 10.463 1.00 64.43 H new ATOM 0 HD1 TYR A 47 -6.694 -9.849 10.940 1.00 20.43 H new ATOM 0 HD2 TYR A 47 -2.682 -8.981 9.652 1.00 41.03 H new ATOM 0 HE1 TYR A 47 -5.968 -12.086 11.725 1.00 61.51 H new ATOM 0 HE2 TYR A 47 -1.949 -11.231 10.402 1.00 34.12 H new ATOM 0 HH TYR A 47 -2.563 -13.194 11.258 1.00 43.21 H new ATOM 623 N ALA A 48 -7.197 -6.857 6.747 1.00 41.01 N ATOM 624 CA ALA A 48 -7.451 -5.734 5.851 1.00 32.54 C ATOM 625 C ALA A 48 -8.553 -6.063 4.838 1.00 0.11 C ATOM 626 O ALA A 48 -8.869 -7.240 4.627 1.00 73.20 O ATOM 627 CB ALA A 48 -6.138 -5.395 5.138 1.00 55.43 C ATOM 0 H ALA A 48 -7.365 -7.765 6.313 1.00 41.01 H new ATOM 0 HA ALA A 48 -7.801 -4.877 6.426 1.00 32.54 H new ATOM 0 HB1 ALA A 48 -6.298 -4.557 4.460 1.00 55.43 H new ATOM 0 HB2 ALA A 48 -5.382 -5.126 5.876 1.00 55.43 H new ATOM 0 HB3 ALA A 48 -5.798 -6.261 4.570 1.00 55.43 H new ATOM 633 N VAL A 49 -9.109 -5.040 4.178 1.00 31.32 N ATOM 634 CA VAL A 49 -10.183 -5.167 3.196 1.00 55.21 C ATOM 635 C VAL A 49 -9.896 -4.247 1.997 1.00 22.13 C ATOM 636 O VAL A 49 -10.434 -3.144 1.877 1.00 14.04 O ATOM 637 CB VAL A 49 -11.551 -5.029 3.892 1.00 42.40 C ATOM 638 CG1 VAL A 49 -11.748 -3.718 4.664 1.00 43.00 C ATOM 639 CG2 VAL A 49 -12.695 -5.278 2.903 1.00 0.44 C ATOM 0 H VAL A 49 -8.813 -4.074 4.319 1.00 31.32 H new ATOM 0 HA VAL A 49 -10.227 -6.162 2.753 1.00 55.21 H new ATOM 0 HB VAL A 49 -11.568 -5.805 4.657 1.00 42.40 H new ATOM 0 HG11 VAL A 49 -12.738 -3.710 5.120 1.00 43.00 H new ATOM 0 HG12 VAL A 49 -10.989 -3.637 5.442 1.00 43.00 H new ATOM 0 HG13 VAL A 49 -11.657 -2.875 3.979 1.00 43.00 H new ATOM 0 HG21 VAL A 49 -13.650 -5.175 3.418 1.00 0.44 H new ATOM 0 HG22 VAL A 49 -12.640 -4.552 2.092 1.00 0.44 H new ATOM 0 HG23 VAL A 49 -12.610 -6.285 2.494 1.00 0.44 H new ATOM 649 N LEU A 50 -8.988 -4.703 1.133 1.00 21.14 N ATOM 650 CA LEU A 50 -8.285 -3.911 0.119 1.00 13.12 C ATOM 651 C LEU A 50 -7.842 -4.806 -1.054 1.00 1.02 C ATOM 652 O LEU A 50 -8.434 -5.871 -1.247 1.00 61.32 O ATOM 653 CB LEU A 50 -7.126 -3.158 0.802 1.00 53.13 C ATOM 654 CG LEU A 50 -6.210 -4.032 1.681 1.00 2.44 C ATOM 655 CD1 LEU A 50 -5.466 -5.117 0.901 1.00 20.31 C ATOM 656 CD2 LEU A 50 -5.250 -3.122 2.437 1.00 75.40 C ATOM 0 H LEU A 50 -8.708 -5.684 1.120 1.00 21.14 H new ATOM 0 HA LEU A 50 -8.946 -3.164 -0.321 1.00 13.12 H new ATOM 0 HB2 LEU A 50 -6.519 -2.681 0.032 1.00 53.13 H new ATOM 0 HB3 LEU A 50 -7.543 -2.361 1.418 1.00 53.13 H new ATOM 0 HG LEU A 50 -6.838 -4.579 2.384 1.00 2.44 H new ATOM 0 HD11 LEU A 50 -4.841 -5.692 1.584 1.00 20.31 H new ATOM 0 HD12 LEU A 50 -6.187 -5.780 0.423 1.00 20.31 H new ATOM 0 HD13 LEU A 50 -4.839 -4.653 0.140 1.00 20.31 H new ATOM 0 HD21 LEU A 50 -4.594 -3.726 3.064 1.00 75.40 H new ATOM 0 HD22 LEU A 50 -4.650 -2.555 1.725 1.00 75.40 H new ATOM 0 HD23 LEU A 50 -5.818 -2.434 3.063 1.00 75.40 H new ATOM 667 N SER A 51 -6.860 -4.380 -1.865 1.00 44.42 N ATOM 668 CA SER A 51 -6.358 -5.089 -3.038 1.00 2.42 C ATOM 669 C SER A 51 -4.990 -4.509 -3.440 1.00 23.51 C ATOM 670 O SER A 51 -4.382 -3.735 -2.696 1.00 63.54 O ATOM 671 CB SER A 51 -7.414 -4.948 -4.154 1.00 0.20 C ATOM 672 OG SER A 51 -7.278 -5.952 -5.140 1.00 3.34 O ATOM 0 H SER A 51 -6.379 -3.494 -1.709 1.00 44.42 H new ATOM 0 HA SER A 51 -6.203 -6.149 -2.837 1.00 2.42 H new ATOM 0 HB2 SER A 51 -8.412 -5.000 -3.718 1.00 0.20 H new ATOM 0 HB3 SER A 51 -7.321 -3.967 -4.620 1.00 0.20 H new ATOM 0 HG SER A 51 -7.965 -5.830 -5.828 1.00 3.34 H new ATOM 677 N SER A 52 -4.502 -4.881 -4.628 1.00 73.43 N ATOM 678 CA SER A 52 -3.235 -4.435 -5.208 1.00 34.23 C ATOM 679 C SER A 52 -3.228 -2.964 -5.664 1.00 11.21 C ATOM 680 O SER A 52 -2.276 -2.559 -6.341 1.00 24.50 O ATOM 681 CB SER A 52 -2.857 -5.386 -6.356 1.00 24.24 C ATOM 682 OG SER A 52 -3.711 -5.255 -7.492 1.00 60.21 O ATOM 0 H SER A 52 -5.002 -5.529 -5.236 1.00 73.43 H new ATOM 0 HA SER A 52 -2.484 -4.474 -4.419 1.00 34.23 H new ATOM 0 HB2 SER A 52 -1.828 -5.192 -6.658 1.00 24.24 H new ATOM 0 HB3 SER A 52 -2.895 -6.414 -5.996 1.00 24.24 H new ATOM 0 HG SER A 52 -3.425 -5.880 -8.190 1.00 60.21 H new ATOM 687 N SER A 53 -4.277 -2.183 -5.388 1.00 31.12 N ATOM 688 CA SER A 53 -4.331 -0.775 -5.743 1.00 62.11 C ATOM 689 C SER A 53 -3.771 0.087 -4.615 1.00 13.41 C ATOM 690 O SER A 53 -3.012 1.014 -4.889 1.00 4.23 O ATOM 691 CB SER A 53 -5.767 -0.362 -6.038 1.00 75.31 C ATOM 692 OG SER A 53 -6.354 -1.161 -7.058 1.00 3.30 O ATOM 0 H SER A 53 -5.113 -2.518 -4.909 1.00 31.12 H new ATOM 0 HA SER A 53 -3.723 -0.625 -6.635 1.00 62.11 H new ATOM 0 HB2 SER A 53 -6.361 -0.442 -5.128 1.00 75.31 H new ATOM 0 HB3 SER A 53 -5.788 0.685 -6.341 1.00 75.31 H new ATOM 0 HG SER A 53 -7.275 -0.865 -7.216 1.00 3.30 H new ATOM 697 N ASN A 54 -4.145 -0.213 -3.366 1.00 13.45 N ATOM 698 CA ASN A 54 -3.742 0.519 -2.160 1.00 75.22 C ATOM 699 C ASN A 54 -2.221 0.666 -2.121 1.00 13.13 C ATOM 700 O ASN A 54 -1.719 1.792 -2.091 1.00 14.02 O ATOM 701 CB ASN A 54 -4.252 -0.190 -0.896 1.00 44.24 C ATOM 702 CG ASN A 54 -5.705 0.119 -0.578 1.00 43.33 C ATOM 703 OD1 ASN A 54 -6.584 -0.068 -1.414 1.00 72.30 O ATOM 704 ND2 ASN A 54 -5.984 0.557 0.630 1.00 33.25 N ATOM 0 H ASN A 54 -4.759 -1.001 -3.160 1.00 13.45 H new ATOM 0 HA ASN A 54 -4.189 1.513 -2.190 1.00 75.22 H new ATOM 0 HB2 ASN A 54 -4.136 -1.267 -1.020 1.00 44.24 H new ATOM 0 HB3 ASN A 54 -3.632 0.102 -0.049 1.00 44.24 H new ATOM 0 HD21 ASN A 54 -6.951 0.750 0.892 1.00 33.25 H new ATOM 0 HD22 ASN A 54 -5.234 0.704 1.305 1.00 33.25 H new ATOM 710 N VAL A 55 -1.489 -0.453 -2.127 1.00 42.30 N ATOM 711 CA VAL A 55 -0.027 -0.460 -2.179 1.00 74.14 C ATOM 712 C VAL A 55 0.435 0.132 -3.510 1.00 44.04 C ATOM 713 O VAL A 55 -0.123 -0.170 -4.568 1.00 0.22 O ATOM 714 CB VAL A 55 0.548 -1.883 -2.028 1.00 15.02 C ATOM 715 CG1 VAL A 55 2.042 -1.853 -1.656 1.00 31.15 C ATOM 716 CG2 VAL A 55 -0.201 -2.728 -1.009 1.00 34.51 C ATOM 0 H VAL A 55 -1.900 -1.386 -2.096 1.00 42.30 H new ATOM 0 HA VAL A 55 0.339 0.140 -1.346 1.00 74.14 H new ATOM 0 HB VAL A 55 0.422 -2.348 -3.006 1.00 15.02 H new ATOM 0 HG11 VAL A 55 2.413 -2.873 -1.558 1.00 31.15 H new ATOM 0 HG12 VAL A 55 2.601 -1.337 -2.437 1.00 31.15 H new ATOM 0 HG13 VAL A 55 2.171 -1.328 -0.710 1.00 31.15 H new ATOM 0 HG21 VAL A 55 0.254 -3.717 -0.951 1.00 34.51 H new ATOM 0 HG22 VAL A 55 -0.151 -2.248 -0.032 1.00 34.51 H new ATOM 0 HG23 VAL A 55 -1.243 -2.825 -1.313 1.00 34.51 H new ATOM 726 N ARG A 56 1.501 0.925 -3.489 1.00 41.23 N ATOM 727 CA ARG A 56 2.104 1.519 -4.670 1.00 14.41 C ATOM 728 C ARG A 56 3.612 1.447 -4.490 1.00 53.23 C ATOM 729 O ARG A 56 4.142 2.020 -3.542 1.00 20.22 O ATOM 730 CB ARG A 56 1.550 2.950 -4.833 1.00 51.04 C ATOM 731 CG ARG A 56 1.354 3.351 -6.299 1.00 2.20 C ATOM 732 CD ARG A 56 0.207 2.595 -6.987 1.00 42.01 C ATOM 733 NE ARG A 56 -1.136 3.162 -6.772 1.00 63.54 N ATOM 734 CZ ARG A 56 -2.241 2.680 -7.364 1.00 73.44 C ATOM 735 NH1 ARG A 56 -2.212 1.530 -8.027 1.00 24.53 N ATOM 736 NH2 ARG A 56 -3.392 3.334 -7.310 1.00 11.44 N ATOM 0 H ARG A 56 1.980 1.177 -2.625 1.00 41.23 H new ATOM 0 HA ARG A 56 1.861 0.992 -5.593 1.00 14.41 H new ATOM 0 HB2 ARG A 56 0.597 3.027 -4.310 1.00 51.04 H new ATOM 0 HB3 ARG A 56 2.232 3.655 -4.357 1.00 51.04 H new ATOM 0 HG2 ARG A 56 1.158 4.422 -6.353 1.00 2.20 H new ATOM 0 HG3 ARG A 56 2.279 3.169 -6.845 1.00 2.20 H new ATOM 0 HD2 ARG A 56 0.404 2.565 -8.059 1.00 42.01 H new ATOM 0 HD3 ARG A 56 0.209 1.564 -6.634 1.00 42.01 H new ATOM 0 HE ARG A 56 -1.231 3.959 -6.143 1.00 63.54 H new ATOM 0 HH11 ARG A 56 -1.343 1.000 -8.092 1.00 24.53 H new ATOM 0 HH12 ARG A 56 -3.059 1.176 -8.472 1.00 24.53 H new ATOM 0 HH21 ARG A 56 -3.451 4.222 -6.812 1.00 11.44 H new ATOM 0 HH22 ARG A 56 -4.219 2.950 -7.767 1.00 11.44 H new ATOM 747 N VAL A 57 4.307 0.702 -5.343 1.00 13.22 N ATOM 748 CA VAL A 57 5.730 0.420 -5.212 1.00 2.32 C ATOM 749 C VAL A 57 6.416 1.072 -6.404 1.00 4.10 C ATOM 750 O VAL A 57 6.533 0.518 -7.496 1.00 44.34 O ATOM 751 CB VAL A 57 5.982 -1.084 -4.978 1.00 53.43 C ATOM 752 CG1 VAL A 57 5.311 -1.989 -6.017 1.00 13.33 C ATOM 753 CG2 VAL A 57 7.481 -1.397 -4.891 1.00 11.23 C ATOM 0 H VAL A 57 3.885 0.268 -6.164 1.00 13.22 H new ATOM 0 HA VAL A 57 6.179 0.856 -4.320 1.00 2.32 H new ATOM 0 HB VAL A 57 5.515 -1.308 -4.019 1.00 53.43 H new ATOM 0 HG11 VAL A 57 5.532 -3.032 -5.788 1.00 13.33 H new ATOM 0 HG12 VAL A 57 4.232 -1.833 -5.993 1.00 13.33 H new ATOM 0 HG13 VAL A 57 5.691 -1.747 -7.010 1.00 13.33 H new ATOM 0 HG21 VAL A 57 7.621 -2.465 -4.726 1.00 11.23 H new ATOM 0 HG22 VAL A 57 7.968 -1.107 -5.822 1.00 11.23 H new ATOM 0 HG23 VAL A 57 7.921 -0.841 -4.063 1.00 11.23 H new ATOM 763 N ILE A 58 6.789 2.329 -6.202 1.00 3.42 N ATOM 764 CA ILE A 58 7.409 3.146 -7.230 1.00 60.23 C ATOM 765 C ILE A 58 8.840 2.653 -7.441 1.00 64.41 C ATOM 766 O ILE A 58 9.661 2.638 -6.512 1.00 53.11 O ATOM 767 CB ILE A 58 7.316 4.656 -6.903 1.00 22.21 C ATOM 768 CG1 ILE A 58 5.953 5.099 -6.323 1.00 71.15 C ATOM 769 CG2 ILE A 58 7.680 5.495 -8.144 1.00 41.03 C ATOM 770 CD1 ILE A 58 4.719 4.651 -7.106 1.00 60.14 C ATOM 0 H ILE A 58 6.668 2.812 -5.312 1.00 3.42 H new ATOM 0 HA ILE A 58 6.868 3.037 -8.170 1.00 60.23 H new ATOM 0 HB ILE A 58 8.041 4.835 -6.109 1.00 22.21 H new ATOM 0 HG12 ILE A 58 5.872 4.718 -5.305 1.00 71.15 H new ATOM 0 HG13 ILE A 58 5.944 6.187 -6.258 1.00 71.15 H new ATOM 0 HG21 ILE A 58 7.610 6.555 -7.900 1.00 41.03 H new ATOM 0 HG22 ILE A 58 8.698 5.261 -8.456 1.00 41.03 H new ATOM 0 HG23 ILE A 58 6.990 5.263 -8.955 1.00 41.03 H new ATOM 0 HD11 ILE A 58 3.820 5.017 -6.610 1.00 60.14 H new ATOM 0 HD12 ILE A 58 4.764 5.054 -8.118 1.00 60.14 H new ATOM 0 HD13 ILE A 58 4.691 3.562 -7.150 1.00 60.14 H new ATOM 781 N LYS A 59 9.136 2.243 -8.670 1.00 62.43 N ATOM 782 CA LYS A 59 10.422 1.674 -9.062 1.00 51.05 C ATOM 783 C LYS A 59 11.387 2.768 -9.526 1.00 13.31 C ATOM 784 O LYS A 59 11.050 3.955 -9.450 1.00 15.34 O ATOM 785 CB LYS A 59 10.148 0.558 -10.087 1.00 22.21 C ATOM 786 CG LYS A 59 9.483 -0.614 -9.344 1.00 54.35 C ATOM 787 CD LYS A 59 9.381 -1.916 -10.140 1.00 35.24 C ATOM 788 CE LYS A 59 8.212 -1.956 -11.132 1.00 72.14 C ATOM 789 NZ LYS A 59 6.887 -2.025 -10.461 1.00 31.24 N ATOM 0 H LYS A 59 8.471 2.298 -9.442 1.00 62.43 H new ATOM 0 HA LYS A 59 10.938 1.216 -8.218 1.00 51.05 H new ATOM 0 HB2 LYS A 59 9.499 0.922 -10.883 1.00 22.21 H new ATOM 0 HB3 LYS A 59 11.077 0.234 -10.556 1.00 22.21 H new ATOM 0 HG2 LYS A 59 10.044 -0.809 -8.430 1.00 54.35 H new ATOM 0 HG3 LYS A 59 8.480 -0.311 -9.044 1.00 54.35 H new ATOM 0 HD2 LYS A 59 10.312 -2.069 -10.686 1.00 35.24 H new ATOM 0 HD3 LYS A 59 9.280 -2.748 -9.443 1.00 35.24 H new ATOM 0 HE2 LYS A 59 8.248 -1.069 -11.764 1.00 72.14 H new ATOM 0 HE3 LYS A 59 8.327 -2.819 -11.787 1.00 72.14 H new ATOM 0 HZ1 LYS A 59 6.144 -2.169 -11.174 1.00 31.24 H new ATOM 0 HZ2 LYS A 59 6.880 -2.818 -9.788 1.00 31.24 H new ATOM 0 HZ3 LYS A 59 6.710 -1.136 -9.951 1.00 31.24 H new ATOM 799 N ASP A 60 12.615 2.407 -9.900 1.00 33.51 N ATOM 800 CA ASP A 60 13.511 3.321 -10.607 1.00 60.12 C ATOM 801 C ASP A 60 13.055 3.408 -12.072 1.00 43.24 C ATOM 802 O ASP A 60 12.282 2.583 -12.567 1.00 54.35 O ATOM 803 CB ASP A 60 14.963 2.822 -10.494 1.00 4.23 C ATOM 804 CG ASP A 60 16.037 3.894 -10.760 1.00 1.02 C ATOM 805 OD1 ASP A 60 15.711 4.988 -11.282 1.00 31.13 O ATOM 806 OD2 ASP A 60 17.221 3.635 -10.440 1.00 34.22 O ATOM 0 H ASP A 60 13.012 1.484 -9.724 1.00 33.51 H new ATOM 0 HA ASP A 60 13.473 4.317 -10.165 1.00 60.12 H new ATOM 0 HB2 ASP A 60 15.116 2.415 -9.494 1.00 4.23 H new ATOM 0 HB3 ASP A 60 15.106 2.002 -11.197 1.00 4.23 H new ATOM 810 N LYS A 61 13.544 4.417 -12.781 1.00 42.34 N ATOM 811 CA LYS A 61 13.534 4.524 -14.231 1.00 60.53 C ATOM 812 C LYS A 61 14.772 3.851 -14.819 1.00 20.32 C ATOM 813 O LYS A 61 14.670 3.291 -15.903 1.00 75.34 O ATOM 814 CB LYS A 61 13.529 6.013 -14.566 1.00 53.23 C ATOM 815 CG LYS A 61 13.707 6.317 -16.057 1.00 14.41 C ATOM 816 CD LYS A 61 13.591 7.820 -16.317 1.00 34.13 C ATOM 817 CE LYS A 61 14.844 8.546 -15.800 1.00 32.14 C ATOM 818 NZ LYS A 61 14.870 9.983 -16.138 1.00 31.41 N ATOM 0 H LYS A 61 13.981 5.224 -12.335 1.00 42.34 H new ATOM 0 HA LYS A 61 12.659 4.029 -14.653 1.00 60.53 H new ATOM 0 HB2 LYS A 61 12.589 6.448 -14.227 1.00 53.23 H new ATOM 0 HB3 LYS A 61 14.327 6.503 -14.008 1.00 53.23 H new ATOM 0 HG2 LYS A 61 14.680 5.958 -16.393 1.00 14.41 H new ATOM 0 HG3 LYS A 61 12.953 5.783 -16.635 1.00 14.41 H new ATOM 0 HD2 LYS A 61 13.470 8.004 -17.385 1.00 34.13 H new ATOM 0 HD3 LYS A 61 12.703 8.215 -15.823 1.00 34.13 H new ATOM 0 HE2 LYS A 61 14.899 8.434 -14.717 1.00 32.14 H new ATOM 0 HE3 LYS A 61 15.730 8.066 -16.216 1.00 32.14 H new ATOM 0 HZ1 LYS A 61 15.739 10.413 -15.761 1.00 31.41 H new ATOM 0 HZ2 LYS A 61 14.847 10.097 -17.171 1.00 31.41 H new ATOM 0 HZ3 LYS A 61 14.042 10.453 -15.720 1.00 31.41 H new ATOM 828 N GLN A 62 15.925 3.938 -14.148 1.00 41.04 N ATOM 829 CA GLN A 62 17.217 3.474 -14.674 1.00 34.23 C ATOM 830 C GLN A 62 17.310 1.951 -14.751 1.00 13.21 C ATOM 831 O GLN A 62 18.218 1.393 -15.366 1.00 53.31 O ATOM 832 CB GLN A 62 18.354 3.987 -13.792 1.00 61.34 C ATOM 833 CG GLN A 62 18.257 5.497 -13.551 1.00 0.22 C ATOM 834 CD GLN A 62 19.495 6.090 -12.883 1.00 44.41 C ATOM 835 OE1 GLN A 62 20.413 5.391 -12.459 1.00 32.14 O ATOM 836 NE2 GLN A 62 19.576 7.402 -12.764 1.00 2.20 N ATOM 0 H GLN A 62 15.990 4.338 -13.212 1.00 41.04 H new ATOM 0 HA GLN A 62 17.301 3.869 -15.686 1.00 34.23 H new ATOM 0 HB2 GLN A 62 18.334 3.465 -12.835 1.00 61.34 H new ATOM 0 HB3 GLN A 62 19.310 3.756 -14.262 1.00 61.34 H new ATOM 0 HG2 GLN A 62 18.093 5.999 -14.505 1.00 0.22 H new ATOM 0 HG3 GLN A 62 17.386 5.702 -12.929 1.00 0.22 H new ATOM 0 HE21 GLN A 62 18.821 7.993 -13.112 1.00 2.20 H new ATOM 0 HE22 GLN A 62 20.394 7.825 -12.324 1.00 2.20 H new ATOM 843 N THR A 63 16.404 1.286 -14.056 1.00 4.14 N ATOM 844 CA THR A 63 16.323 -0.156 -13.905 1.00 3.12 C ATOM 845 C THR A 63 14.843 -0.544 -13.893 1.00 74.24 C ATOM 846 O THR A 63 13.957 0.278 -14.156 1.00 23.23 O ATOM 847 CB THR A 63 17.059 -0.582 -12.610 1.00 44.45 C ATOM 848 OG1 THR A 63 16.357 -0.064 -11.499 1.00 4.32 O ATOM 849 CG2 THR A 63 18.518 -0.122 -12.540 1.00 44.34 C ATOM 0 H THR A 63 15.660 1.768 -13.551 1.00 4.14 H new ATOM 0 HA THR A 63 16.810 -0.674 -14.731 1.00 3.12 H new ATOM 0 HB THR A 63 17.081 -1.672 -12.606 1.00 44.45 H new ATOM 0 HG1 THR A 63 16.891 -0.189 -10.687 1.00 4.32 H new ATOM 0 HG21 THR A 63 18.962 -0.460 -11.604 1.00 44.34 H new ATOM 0 HG22 THR A 63 19.073 -0.544 -13.378 1.00 44.34 H new ATOM 0 HG23 THR A 63 18.559 0.966 -12.589 1.00 44.34 H new ATOM 857 N GLN A 64 14.558 -1.803 -13.579 1.00 31.41 N ATOM 858 CA GLN A 64 13.217 -2.322 -13.349 1.00 51.05 C ATOM 859 C GLN A 64 13.171 -2.874 -11.931 1.00 21.34 C ATOM 860 O GLN A 64 12.719 -3.991 -11.682 1.00 60.11 O ATOM 861 CB GLN A 64 12.898 -3.345 -14.443 1.00 23.53 C ATOM 862 CG GLN A 64 12.804 -2.672 -15.824 1.00 1.13 C ATOM 863 CD GLN A 64 11.536 -1.832 -15.924 1.00 34.40 C ATOM 864 OE1 GLN A 64 10.453 -2.385 -16.107 1.00 13.30 O ATOM 865 NE2 GLN A 64 11.635 -0.520 -15.756 1.00 43.45 N ATOM 0 H GLN A 64 15.281 -2.515 -13.474 1.00 31.41 H new ATOM 0 HA GLN A 64 12.443 -1.557 -13.416 1.00 51.05 H new ATOM 0 HB2 GLN A 64 13.670 -4.114 -14.462 1.00 23.53 H new ATOM 0 HB3 GLN A 64 11.957 -3.845 -14.214 1.00 23.53 H new ATOM 0 HG2 GLN A 64 13.678 -2.042 -15.988 1.00 1.13 H new ATOM 0 HG3 GLN A 64 12.807 -3.431 -16.606 1.00 1.13 H new ATOM 0 HE21 GLN A 64 12.549 -0.093 -15.606 1.00 43.45 H new ATOM 0 HE22 GLN A 64 10.797 0.061 -15.777 1.00 43.45 H new ATOM 872 N LEU A 65 13.691 -2.088 -10.991 1.00 13.13 N ATOM 873 CA LEU A 65 13.904 -2.477 -9.612 1.00 64.22 C ATOM 874 C LEU A 65 13.311 -1.414 -8.710 1.00 63.15 C ATOM 875 O LEU A 65 13.100 -0.270 -9.115 1.00 20.43 O ATOM 876 CB LEU A 65 15.400 -2.560 -9.321 1.00 3.33 C ATOM 877 CG LEU A 65 16.222 -3.507 -10.209 1.00 55.45 C ATOM 878 CD1 LEU A 65 17.692 -3.202 -9.936 1.00 74.11 C ATOM 879 CD2 LEU A 65 15.900 -4.983 -9.954 1.00 34.50 C ATOM 0 H LEU A 65 13.984 -1.130 -11.183 1.00 13.13 H new ATOM 0 HA LEU A 65 13.437 -3.446 -9.436 1.00 64.22 H new ATOM 0 HB2 LEU A 65 15.821 -1.558 -9.410 1.00 3.33 H new ATOM 0 HB3 LEU A 65 15.529 -2.868 -8.283 1.00 3.33 H new ATOM 0 HG LEU A 65 15.974 -3.340 -11.257 1.00 55.45 H new ATOM 0 HD11 LEU A 65 18.318 -3.853 -10.547 1.00 74.11 H new ATOM 0 HD12 LEU A 65 17.900 -2.161 -10.184 1.00 74.11 H new ATOM 0 HD13 LEU A 65 17.910 -3.374 -8.882 1.00 74.11 H new ATOM 0 HD21 LEU A 65 16.509 -5.607 -10.608 1.00 34.50 H new ATOM 0 HD22 LEU A 65 16.116 -5.228 -8.914 1.00 34.50 H new ATOM 0 HD23 LEU A 65 14.845 -5.166 -10.158 1.00 34.50 H new ATOM 890 N ASN A 66 13.073 -1.787 -7.461 1.00 75.13 N ATOM 891 CA ASN A 66 12.420 -0.905 -6.515 1.00 41.14 C ATOM 892 C ASN A 66 13.421 0.048 -5.879 1.00 62.41 C ATOM 893 O ASN A 66 14.545 -0.329 -5.539 1.00 74.55 O ATOM 894 CB ASN A 66 11.780 -1.701 -5.396 1.00 15.24 C ATOM 895 CG ASN A 66 10.814 -2.780 -5.835 1.00 13.11 C ATOM 896 OD1 ASN A 66 9.963 -2.574 -6.687 1.00 32.31 O ATOM 897 ND2 ASN A 66 10.950 -3.942 -5.237 1.00 1.02 N ATOM 0 H ASN A 66 13.325 -2.700 -7.081 1.00 75.13 H new ATOM 0 HA ASN A 66 11.665 -0.347 -7.069 1.00 41.14 H new ATOM 0 HB2 ASN A 66 12.570 -2.164 -4.805 1.00 15.24 H new ATOM 0 HB3 ASN A 66 11.252 -1.011 -4.738 1.00 15.24 H new ATOM 0 HD21 ASN A 66 10.331 -4.716 -5.479 1.00 1.02 H new ATOM 0 HD22 ASN A 66 11.675 -4.070 -4.531 1.00 1.02 H new ATOM 903 N ARG A 67 12.967 1.269 -5.594 1.00 14.00 N ATOM 904 CA ARG A 67 13.787 2.314 -4.987 1.00 61.24 C ATOM 905 C ARG A 67 13.981 2.177 -3.470 1.00 72.25 C ATOM 906 O ARG A 67 14.563 3.090 -2.879 1.00 44.44 O ATOM 907 CB ARG A 67 13.236 3.688 -5.417 1.00 13.41 C ATOM 908 CG ARG A 67 13.877 4.097 -6.752 1.00 71.23 C ATOM 909 CD ARG A 67 13.453 5.493 -7.227 1.00 41.43 C ATOM 910 NE ARG A 67 14.538 6.162 -7.958 1.00 1.10 N ATOM 911 CZ ARG A 67 14.553 7.458 -8.288 1.00 42.15 C ATOM 912 NH1 ARG A 67 13.452 8.200 -8.207 1.00 75.13 N ATOM 913 NH2 ARG A 67 15.691 8.022 -8.676 1.00 33.32 N ATOM 0 H ARG A 67 12.008 1.562 -5.781 1.00 14.00 H new ATOM 0 HA ARG A 67 14.804 2.203 -5.363 1.00 61.24 H new ATOM 0 HB2 ARG A 67 12.152 3.642 -5.520 1.00 13.41 H new ATOM 0 HB3 ARG A 67 13.452 4.435 -4.653 1.00 13.41 H new ATOM 0 HG2 ARG A 67 14.962 4.070 -6.649 1.00 71.23 H new ATOM 0 HG3 ARG A 67 13.610 3.365 -7.514 1.00 71.23 H new ATOM 0 HD2 ARG A 67 12.576 5.410 -7.869 1.00 41.43 H new ATOM 0 HD3 ARG A 67 13.163 6.099 -6.369 1.00 41.43 H new ATOM 0 HE ARG A 67 15.340 5.595 -8.234 1.00 1.10 H new ATOM 0 HH11 ARG A 67 12.578 7.782 -7.889 1.00 75.13 H new ATOM 0 HH12 ARG A 67 13.482 9.187 -8.463 1.00 75.13 H new ATOM 0 HH21 ARG A 67 16.546 7.467 -8.721 1.00 33.32 H new ATOM 0 HH22 ARG A 67 15.710 9.010 -8.929 1.00 33.32 H new ATOM 924 N GLY A 68 13.553 1.082 -2.830 1.00 20.24 N ATOM 925 CA GLY A 68 13.877 0.782 -1.432 1.00 32.53 C ATOM 926 C GLY A 68 12.813 1.247 -0.437 1.00 33.32 C ATOM 927 O GLY A 68 12.981 1.078 0.769 1.00 31.13 O ATOM 0 H GLY A 68 12.967 0.374 -3.273 1.00 20.24 H new ATOM 0 HA2 GLY A 68 14.016 -0.294 -1.324 1.00 32.53 H new ATOM 0 HA3 GLY A 68 14.827 1.253 -1.180 1.00 32.53 H new ATOM 931 N PHE A 69 11.711 1.806 -0.933 1.00 52.13 N ATOM 932 CA PHE A 69 10.540 2.233 -0.184 1.00 3.12 C ATOM 933 C PHE A 69 9.312 1.939 -1.053 1.00 11.43 C ATOM 934 O PHE A 69 9.469 1.603 -2.235 1.00 61.33 O ATOM 935 CB PHE A 69 10.663 3.724 0.171 1.00 1.44 C ATOM 936 CG PHE A 69 10.349 4.696 -0.958 1.00 12.12 C ATOM 937 CD1 PHE A 69 11.134 4.758 -2.129 1.00 62.14 C ATOM 938 CD2 PHE A 69 9.255 5.567 -0.815 1.00 3.34 C ATOM 939 CE1 PHE A 69 10.803 5.663 -3.157 1.00 72.21 C ATOM 940 CE2 PHE A 69 8.942 6.494 -1.821 1.00 51.45 C ATOM 941 CZ PHE A 69 9.705 6.530 -3.003 1.00 1.10 C ATOM 0 H PHE A 69 11.610 1.982 -1.933 1.00 52.13 H new ATOM 0 HA PHE A 69 10.447 1.696 0.760 1.00 3.12 H new ATOM 0 HB2 PHE A 69 9.995 3.937 1.006 1.00 1.44 H new ATOM 0 HB3 PHE A 69 11.679 3.914 0.518 1.00 1.44 H new ATOM 0 HD1 PHE A 69 11.991 4.110 -2.238 1.00 62.14 H new ATOM 0 HD2 PHE A 69 8.649 5.522 0.078 1.00 3.34 H new ATOM 0 HE1 PHE A 69 11.391 5.691 -4.062 1.00 72.21 H new ATOM 0 HE2 PHE A 69 8.117 7.178 -1.688 1.00 51.45 H new ATOM 0 HZ PHE A 69 9.448 7.222 -3.791 1.00 1.10 H new ATOM 950 N ALA A 70 8.106 2.066 -0.500 1.00 75.23 N ATOM 951 CA ALA A 70 6.827 1.991 -1.206 1.00 13.13 C ATOM 952 C ALA A 70 5.790 2.774 -0.383 1.00 63.52 C ATOM 953 O ALA A 70 6.052 3.117 0.771 1.00 32.24 O ATOM 954 CB ALA A 70 6.425 0.520 -1.416 1.00 51.00 C ATOM 0 H ALA A 70 7.989 2.232 0.500 1.00 75.23 H new ATOM 0 HA ALA A 70 6.896 2.436 -2.199 1.00 13.13 H new ATOM 0 HB1 ALA A 70 5.472 0.475 -1.942 1.00 51.00 H new ATOM 0 HB2 ALA A 70 7.189 0.015 -2.006 1.00 51.00 H new ATOM 0 HB3 ALA A 70 6.329 0.027 -0.448 1.00 51.00 H new ATOM 960 N PHE A 71 4.611 3.005 -0.951 1.00 33.24 N ATOM 961 CA PHE A 71 3.482 3.744 -0.392 1.00 73.53 C ATOM 962 C PHE A 71 2.281 2.802 -0.209 1.00 60.52 C ATOM 963 O PHE A 71 2.206 1.762 -0.871 1.00 64.14 O ATOM 964 CB PHE A 71 3.115 4.855 -1.392 1.00 44.12 C ATOM 965 CG PHE A 71 3.713 6.214 -1.096 1.00 13.13 C ATOM 966 CD1 PHE A 71 3.464 6.832 0.143 1.00 1.43 C ATOM 967 CD2 PHE A 71 4.467 6.891 -2.073 1.00 1.03 C ATOM 968 CE1 PHE A 71 3.942 8.125 0.391 1.00 71.52 C ATOM 969 CE2 PHE A 71 4.958 8.182 -1.815 1.00 31.53 C ATOM 970 CZ PHE A 71 4.690 8.803 -0.585 1.00 55.41 C ATOM 0 H PHE A 71 4.403 2.654 -1.886 1.00 33.24 H new ATOM 0 HA PHE A 71 3.744 4.166 0.578 1.00 73.53 H new ATOM 0 HB2 PHE A 71 3.433 4.545 -2.387 1.00 44.12 H new ATOM 0 HB3 PHE A 71 2.030 4.952 -1.420 1.00 44.12 H new ATOM 0 HD1 PHE A 71 2.904 6.309 0.904 1.00 1.43 H new ATOM 0 HD2 PHE A 71 4.668 6.417 -3.022 1.00 1.03 H new ATOM 0 HE1 PHE A 71 3.734 8.603 1.337 1.00 71.52 H new ATOM 0 HE2 PHE A 71 5.542 8.697 -2.564 1.00 31.53 H new ATOM 0 HZ PHE A 71 5.058 9.799 -0.390 1.00 55.41 H new ATOM 979 N ILE A 72 1.300 3.190 0.614 1.00 44.44 N ATOM 980 CA ILE A 72 -0.011 2.545 0.728 1.00 53.23 C ATOM 981 C ILE A 72 -1.051 3.655 0.947 1.00 21.43 C ATOM 982 O ILE A 72 -0.957 4.370 1.946 1.00 3.42 O ATOM 983 CB ILE A 72 -0.050 1.532 1.899 1.00 54.32 C ATOM 984 CG1 ILE A 72 1.131 0.550 1.936 1.00 4.45 C ATOM 985 CG2 ILE A 72 -1.374 0.749 1.871 1.00 0.41 C ATOM 986 CD1 ILE A 72 1.061 -0.458 3.095 1.00 31.54 C ATOM 0 H ILE A 72 1.402 3.989 1.240 1.00 44.44 H new ATOM 0 HA ILE A 72 -0.224 1.982 -0.181 1.00 53.23 H new ATOM 0 HB ILE A 72 0.031 2.130 2.807 1.00 54.32 H new ATOM 0 HG12 ILE A 72 1.168 0.004 0.993 1.00 4.45 H new ATOM 0 HG13 ILE A 72 2.060 1.115 2.013 1.00 4.45 H new ATOM 0 HG21 ILE A 72 -1.394 0.039 2.697 1.00 0.41 H new ATOM 0 HG22 ILE A 72 -2.209 1.443 1.968 1.00 0.41 H new ATOM 0 HG23 ILE A 72 -1.458 0.210 0.927 1.00 0.41 H new ATOM 0 HD11 ILE A 72 1.928 -1.118 3.056 1.00 31.54 H new ATOM 0 HD12 ILE A 72 1.056 0.078 4.044 1.00 31.54 H new ATOM 0 HD13 ILE A 72 0.150 -1.050 3.008 1.00 31.54 H new ATOM 997 N GLN A 73 -2.019 3.823 0.036 1.00 1.41 N ATOM 998 CA GLN A 73 -3.207 4.654 0.279 1.00 74.32 C ATOM 999 C GLN A 73 -4.168 3.891 1.180 1.00 72.14 C ATOM 1000 O GLN A 73 -4.232 2.673 1.067 1.00 4.14 O ATOM 1001 CB GLN A 73 -3.944 4.963 -1.037 1.00 75.53 C ATOM 1002 CG GLN A 73 -3.422 6.209 -1.765 1.00 22.15 C ATOM 1003 CD GLN A 73 -4.088 6.371 -3.135 1.00 64.12 C ATOM 1004 OE1 GLN A 73 -5.311 6.307 -3.247 1.00 75.11 O ATOM 1005 NE2 GLN A 73 -3.323 6.602 -4.188 1.00 60.14 N ATOM 0 H GLN A 73 -2.001 3.389 -0.887 1.00 1.41 H new ATOM 0 HA GLN A 73 -2.882 5.587 0.740 1.00 74.32 H new ATOM 0 HB2 GLN A 73 -3.857 4.103 -1.701 1.00 75.53 H new ATOM 0 HB3 GLN A 73 -5.005 5.096 -0.825 1.00 75.53 H new ATOM 0 HG2 GLN A 73 -3.613 7.094 -1.158 1.00 22.15 H new ATOM 0 HG3 GLN A 73 -2.342 6.135 -1.890 1.00 22.15 H new ATOM 0 HE21 GLN A 73 -2.310 6.653 -4.081 1.00 60.14 H new ATOM 0 HE22 GLN A 73 -3.746 6.730 -5.107 1.00 60.14 H new ATOM 1012 N LEU A 74 -4.917 4.617 2.018 1.00 35.14 N ATOM 1013 CA LEU A 74 -5.961 4.196 2.958 1.00 4.05 C ATOM 1014 C LEU A 74 -6.396 5.444 3.754 1.00 42.02 C ATOM 1015 O LEU A 74 -5.820 6.516 3.552 1.00 42.01 O ATOM 1016 CB LEU A 74 -5.552 2.991 3.847 1.00 41.13 C ATOM 1017 CG LEU A 74 -4.449 3.130 4.896 1.00 41.11 C ATOM 1018 CD1 LEU A 74 -4.121 1.741 5.476 1.00 54.11 C ATOM 1019 CD2 LEU A 74 -3.149 3.700 4.327 1.00 20.32 C ATOM 0 H LEU A 74 -4.791 5.628 2.057 1.00 35.14 H new ATOM 0 HA LEU A 74 -6.815 3.802 2.407 1.00 4.05 H new ATOM 0 HB2 LEU A 74 -6.450 2.659 4.369 1.00 41.13 H new ATOM 0 HB3 LEU A 74 -5.256 2.184 3.176 1.00 41.13 H new ATOM 0 HG LEU A 74 -4.828 3.818 5.652 1.00 41.11 H new ATOM 0 HD11 LEU A 74 -3.335 1.836 6.225 1.00 54.11 H new ATOM 0 HD12 LEU A 74 -5.014 1.320 5.939 1.00 54.11 H new ATOM 0 HD13 LEU A 74 -3.782 1.083 4.676 1.00 54.11 H new ATOM 0 HD21 LEU A 74 -2.406 3.774 5.121 1.00 20.32 H new ATOM 0 HD22 LEU A 74 -2.776 3.042 3.542 1.00 20.32 H new ATOM 0 HD23 LEU A 74 -3.337 4.690 3.912 1.00 20.32 H new ATOM 1030 N SER A 75 -7.420 5.343 4.607 1.00 33.33 N ATOM 1031 CA SER A 75 -7.975 6.481 5.349 1.00 31.52 C ATOM 1032 C SER A 75 -7.591 6.397 6.825 1.00 44.34 C ATOM 1033 O SER A 75 -7.235 5.317 7.285 1.00 41.22 O ATOM 1034 CB SER A 75 -9.494 6.521 5.147 1.00 31.51 C ATOM 1035 OG SER A 75 -10.030 7.756 5.588 1.00 32.42 O ATOM 0 H SER A 75 -7.892 4.461 4.804 1.00 33.33 H new ATOM 0 HA SER A 75 -7.556 7.413 4.968 1.00 31.52 H new ATOM 0 HB2 SER A 75 -9.729 6.374 4.093 1.00 31.51 H new ATOM 0 HB3 SER A 75 -9.959 5.702 5.695 1.00 31.51 H new ATOM 0 HG SER A 75 -11.000 7.760 5.448 1.00 32.42 H new ATOM 1040 N THR A 76 -7.693 7.503 7.573 1.00 12.02 N ATOM 1041 CA THR A 76 -7.139 7.705 8.919 1.00 13.32 C ATOM 1042 C THR A 76 -7.350 6.544 9.898 1.00 53.44 C ATOM 1043 O THR A 76 -6.469 6.303 10.723 1.00 41.44 O ATOM 1044 CB THR A 76 -7.705 8.988 9.552 1.00 11.44 C ATOM 1045 OG1 THR A 76 -9.114 8.981 9.540 1.00 75.53 O ATOM 1046 CG2 THR A 76 -7.239 10.282 8.902 1.00 0.13 C ATOM 0 H THR A 76 -8.192 8.327 7.237 1.00 12.02 H new ATOM 0 HA THR A 76 -6.064 7.779 8.756 1.00 13.32 H new ATOM 0 HB THR A 76 -7.314 8.974 10.569 1.00 11.44 H new ATOM 0 HG1 THR A 76 -9.449 9.806 9.949 1.00 75.53 H new ATOM 0 HG21 THR A 76 -7.690 11.131 9.416 1.00 0.13 H new ATOM 0 HG22 THR A 76 -6.153 10.353 8.969 1.00 0.13 H new ATOM 0 HG23 THR A 76 -7.539 10.291 7.854 1.00 0.13 H new ATOM 1054 N ILE A 77 -8.492 5.848 9.851 1.00 24.45 N ATOM 1055 CA ILE A 77 -8.770 4.666 10.662 1.00 60.52 C ATOM 1056 C ILE A 77 -7.688 3.637 10.345 1.00 23.43 C ATOM 1057 O ILE A 77 -6.834 3.322 11.171 1.00 60.40 O ATOM 1058 CB ILE A 77 -10.208 4.144 10.416 1.00 15.24 C ATOM 1059 CG1 ILE A 77 -11.275 5.110 10.975 1.00 62.41 C ATOM 1060 CG2 ILE A 77 -10.440 2.777 11.089 1.00 53.21 C ATOM 1061 CD1 ILE A 77 -11.502 6.389 10.162 1.00 43.23 C ATOM 0 H ILE A 77 -9.263 6.100 9.233 1.00 24.45 H new ATOM 0 HA ILE A 77 -8.737 4.899 11.726 1.00 60.52 H new ATOM 0 HB ILE A 77 -10.306 4.059 9.334 1.00 15.24 H new ATOM 0 HG12 ILE A 77 -12.222 4.574 11.048 1.00 62.41 H new ATOM 0 HG13 ILE A 77 -10.989 5.391 11.989 1.00 62.41 H new ATOM 0 HG21 ILE A 77 -11.459 2.444 10.894 1.00 53.21 H new ATOM 0 HG22 ILE A 77 -9.737 2.049 10.685 1.00 53.21 H new ATOM 0 HG23 ILE A 77 -10.288 2.870 12.164 1.00 53.21 H new ATOM 0 HD11 ILE A 77 -12.270 6.994 10.643 1.00 43.23 H new ATOM 0 HD12 ILE A 77 -10.573 6.957 10.110 1.00 43.23 H new ATOM 0 HD13 ILE A 77 -11.824 6.127 9.154 1.00 43.23 H new ATOM 1072 N GLU A 78 -7.692 3.152 9.110 1.00 20.15 N ATOM 1073 CA GLU A 78 -6.811 2.085 8.673 1.00 34.41 C ATOM 1074 C GLU A 78 -5.362 2.571 8.697 1.00 32.31 C ATOM 1075 O GLU A 78 -4.450 1.857 9.117 1.00 51.22 O ATOM 1076 CB GLU A 78 -7.193 1.634 7.256 1.00 42.11 C ATOM 1077 CG GLU A 78 -8.678 1.318 7.022 1.00 4.12 C ATOM 1078 CD GLU A 78 -9.210 0.107 7.795 1.00 62.34 C ATOM 1079 OE1 GLU A 78 -8.543 -0.428 8.706 1.00 51.03 O ATOM 1080 OE2 GLU A 78 -10.321 -0.375 7.457 1.00 72.50 O ATOM 0 H GLU A 78 -8.315 3.494 8.378 1.00 20.15 H new ATOM 0 HA GLU A 78 -6.914 1.237 9.350 1.00 34.41 H new ATOM 0 HB2 GLU A 78 -6.894 2.414 6.556 1.00 42.11 H new ATOM 0 HB3 GLU A 78 -6.611 0.746 7.011 1.00 42.11 H new ATOM 0 HG2 GLU A 78 -9.268 2.193 7.295 1.00 4.12 H new ATOM 0 HG3 GLU A 78 -8.835 1.148 5.957 1.00 4.12 H new ATOM 1085 N ALA A 79 -5.135 3.824 8.294 1.00 4.34 N ATOM 1086 CA ALA A 79 -3.822 4.373 8.054 1.00 74.23 C ATOM 1087 C ALA A 79 -3.090 4.543 9.377 1.00 33.22 C ATOM 1088 O ALA A 79 -1.867 4.708 9.357 1.00 14.24 O ATOM 1089 CB ALA A 79 -3.908 5.750 7.373 1.00 1.05 C ATOM 0 H ALA A 79 -5.887 4.492 8.125 1.00 4.34 H new ATOM 0 HA ALA A 79 -3.288 3.683 7.400 1.00 74.23 H new ATOM 0 HB1 ALA A 79 -2.903 6.137 7.206 1.00 1.05 H new ATOM 0 HB2 ALA A 79 -4.423 5.652 6.417 1.00 1.05 H new ATOM 0 HB3 ALA A 79 -4.460 6.439 8.013 1.00 1.05 H new ATOM 1095 N ALA A 80 -3.808 4.461 10.507 1.00 60.50 N ATOM 1096 CA ALA A 80 -3.264 4.629 11.832 1.00 33.31 C ATOM 1097 C ALA A 80 -3.466 3.418 12.751 1.00 61.41 C ATOM 1098 O ALA A 80 -2.735 3.313 13.733 1.00 74.21 O ATOM 1099 CB ALA A 80 -3.849 5.901 12.449 1.00 42.14 C ATOM 0 H ALA A 80 -4.810 4.270 10.507 1.00 60.50 H new ATOM 0 HA ALA A 80 -2.183 4.720 11.730 1.00 33.31 H new ATOM 0 HB1 ALA A 80 -3.444 6.038 13.452 1.00 42.14 H new ATOM 0 HB2 ALA A 80 -3.586 6.759 11.831 1.00 42.14 H new ATOM 0 HB3 ALA A 80 -4.934 5.813 12.504 1.00 42.14 H new ATOM 1105 N GLN A 81 -4.418 2.510 12.492 1.00 72.11 N ATOM 1106 CA GLN A 81 -4.581 1.306 13.317 1.00 34.33 C ATOM 1107 C GLN A 81 -3.671 0.177 12.832 1.00 0.24 C ATOM 1108 O GLN A 81 -3.134 -0.562 13.659 1.00 34.31 O ATOM 1109 CB GLN A 81 -6.059 0.867 13.420 1.00 34.31 C ATOM 1110 CG GLN A 81 -6.613 0.025 12.253 1.00 63.44 C ATOM 1111 CD GLN A 81 -8.086 -0.339 12.433 1.00 23.22 C ATOM 1112 OE1 GLN A 81 -8.898 0.469 12.860 1.00 3.21 O ATOM 1113 NE2 GLN A 81 -8.492 -1.571 12.163 1.00 22.31 N ATOM 0 H GLN A 81 -5.083 2.586 11.722 1.00 72.11 H new ATOM 0 HA GLN A 81 -4.269 1.559 14.330 1.00 34.33 H new ATOM 0 HB2 GLN A 81 -6.181 0.296 14.340 1.00 34.31 H new ATOM 0 HB3 GLN A 81 -6.674 1.762 13.516 1.00 34.31 H new ATOM 0 HG2 GLN A 81 -6.491 0.578 11.322 1.00 63.44 H new ATOM 0 HG3 GLN A 81 -6.026 -0.889 12.160 1.00 63.44 H new ATOM 0 HE21 GLN A 81 -7.830 -2.260 11.806 1.00 22.31 H new ATOM 0 HE22 GLN A 81 -9.467 -1.831 12.312 1.00 22.31 H new ATOM 1120 N LEU A 82 -3.497 0.039 11.506 1.00 15.31 N ATOM 1121 CA LEU A 82 -2.724 -1.045 10.895 1.00 15.45 C ATOM 1122 C LEU A 82 -1.332 -1.105 11.525 1.00 23.14 C ATOM 1123 O LEU A 82 -0.931 -2.152 12.027 1.00 34.43 O ATOM 1124 CB LEU A 82 -2.667 -0.910 9.347 1.00 22.22 C ATOM 1125 CG LEU A 82 -3.716 -1.736 8.566 1.00 73.30 C ATOM 1126 CD1 LEU A 82 -3.396 -3.235 8.579 1.00 40.41 C ATOM 1127 CD2 LEU A 82 -5.153 -1.533 9.059 1.00 24.21 C ATOM 0 H LEU A 82 -3.895 0.686 10.825 1.00 15.31 H new ATOM 0 HA LEU A 82 -3.228 -1.991 11.095 1.00 15.45 H new ATOM 0 HB2 LEU A 82 -2.791 0.141 9.087 1.00 22.22 H new ATOM 0 HB3 LEU A 82 -1.673 -1.206 9.011 1.00 22.22 H new ATOM 0 HG LEU A 82 -3.654 -1.356 7.546 1.00 73.30 H new ATOM 0 HD11 LEU A 82 -4.159 -3.775 8.019 1.00 40.41 H new ATOM 0 HD12 LEU A 82 -2.422 -3.403 8.120 1.00 40.41 H new ATOM 0 HD13 LEU A 82 -3.379 -3.595 9.608 1.00 40.41 H new ATOM 0 HD21 LEU A 82 -5.832 -2.144 8.464 1.00 24.21 H new ATOM 0 HD22 LEU A 82 -5.223 -1.827 10.106 1.00 24.21 H new ATOM 0 HD23 LEU A 82 -5.427 -0.483 8.958 1.00 24.21 H new ATOM 1138 N LEU A 83 -0.603 0.010 11.577 1.00 42.14 N ATOM 1139 CA LEU A 83 0.757 0.071 12.064 1.00 34.44 C ATOM 1140 C LEU A 83 0.905 -0.494 13.477 1.00 11.05 C ATOM 1141 O LEU A 83 1.918 -1.118 13.781 1.00 23.54 O ATOM 1142 CB LEU A 83 1.229 1.525 12.036 1.00 32.33 C ATOM 1143 CG LEU A 83 2.637 1.536 11.434 1.00 4.21 C ATOM 1144 CD1 LEU A 83 2.547 1.576 9.902 1.00 1.41 C ATOM 1145 CD2 LEU A 83 3.384 2.745 11.939 1.00 24.44 C ATOM 0 H LEU A 83 -0.961 0.915 11.271 1.00 42.14 H new ATOM 0 HA LEU A 83 1.372 -0.548 11.411 1.00 34.44 H new ATOM 0 HB2 LEU A 83 0.552 2.137 11.440 1.00 32.33 H new ATOM 0 HB3 LEU A 83 1.238 1.945 13.042 1.00 32.33 H new ATOM 0 HG LEU A 83 3.169 0.632 11.731 1.00 4.21 H new ATOM 0 HD11 LEU A 83 3.551 1.584 9.479 1.00 1.41 H new ATOM 0 HD12 LEU A 83 2.010 0.697 9.546 1.00 1.41 H new ATOM 0 HD13 LEU A 83 2.016 2.476 9.592 1.00 1.41 H new ATOM 0 HD21 LEU A 83 4.387 2.757 11.513 1.00 24.44 H new ATOM 0 HD22 LEU A 83 2.853 3.650 11.644 1.00 24.44 H new ATOM 0 HD23 LEU A 83 3.452 2.703 13.026 1.00 24.44 H new ATOM 1156 N GLN A 84 -0.094 -0.278 14.339 1.00 75.51 N ATOM 1157 CA GLN A 84 -0.081 -0.722 15.728 1.00 40.13 C ATOM 1158 C GLN A 84 -0.372 -2.218 15.865 1.00 33.21 C ATOM 1159 O GLN A 84 -0.162 -2.772 16.945 1.00 4.22 O ATOM 1160 CB GLN A 84 -1.045 0.161 16.555 1.00 42.10 C ATOM 1161 CG GLN A 84 -0.308 1.355 17.196 1.00 15.33 C ATOM 1162 CD GLN A 84 -1.076 2.672 17.107 1.00 24.21 C ATOM 1163 OE1 GLN A 84 -1.953 2.987 17.909 1.00 11.02 O ATOM 1164 NE2 GLN A 84 -0.723 3.509 16.151 1.00 22.23 N ATOM 0 H GLN A 84 -0.947 0.219 14.082 1.00 75.51 H new ATOM 0 HA GLN A 84 0.925 -0.597 16.130 1.00 40.13 H new ATOM 0 HB2 GLN A 84 -1.845 0.528 15.913 1.00 42.10 H new ATOM 0 HB3 GLN A 84 -1.513 -0.440 17.335 1.00 42.10 H new ATOM 0 HG2 GLN A 84 -0.112 1.129 18.244 1.00 15.33 H new ATOM 0 HG3 GLN A 84 0.660 1.476 16.710 1.00 15.33 H new ATOM 0 HE21 GLN A 84 0.005 3.246 15.486 1.00 22.23 H new ATOM 0 HE22 GLN A 84 -1.178 4.419 16.076 1.00 22.23 H new ATOM 1171 N ILE A 85 -0.799 -2.892 14.799 1.00 73.52 N ATOM 1172 CA ILE A 85 -0.884 -4.345 14.725 1.00 20.24 C ATOM 1173 C ILE A 85 0.460 -4.866 14.193 1.00 74.44 C ATOM 1174 O ILE A 85 1.032 -5.797 14.756 1.00 24.35 O ATOM 1175 CB ILE A 85 -2.097 -4.760 13.860 1.00 54.11 C ATOM 1176 CG1 ILE A 85 -3.408 -4.225 14.489 1.00 23.52 C ATOM 1177 CG2 ILE A 85 -2.162 -6.293 13.732 1.00 54.03 C ATOM 1178 CD1 ILE A 85 -4.627 -4.347 13.572 1.00 24.33 C ATOM 0 H ILE A 85 -1.103 -2.429 13.942 1.00 73.52 H new ATOM 0 HA ILE A 85 -1.054 -4.791 15.705 1.00 20.24 H new ATOM 0 HB ILE A 85 -1.980 -4.329 12.866 1.00 54.11 H new ATOM 0 HG12 ILE A 85 -3.605 -4.768 15.413 1.00 23.52 H new ATOM 0 HG13 ILE A 85 -3.270 -3.178 14.758 1.00 23.52 H new ATOM 0 HG21 ILE A 85 -3.021 -6.571 13.121 1.00 54.03 H new ATOM 0 HG22 ILE A 85 -1.249 -6.658 13.262 1.00 54.03 H new ATOM 0 HG23 ILE A 85 -2.263 -6.737 14.722 1.00 54.03 H new ATOM 0 HD11 ILE A 85 -5.506 -3.952 14.081 1.00 24.33 H new ATOM 0 HD12 ILE A 85 -4.452 -3.780 12.657 1.00 24.33 H new ATOM 0 HD13 ILE A 85 -4.792 -5.395 13.323 1.00 24.33 H new ATOM 1189 N LEU A 86 1.015 -4.244 13.143 1.00 0.01 N ATOM 1190 CA LEU A 86 2.215 -4.755 12.467 1.00 64.21 C ATOM 1191 C LEU A 86 3.475 -4.714 13.337 1.00 32.12 C ATOM 1192 O LEU A 86 4.464 -5.380 13.038 1.00 2.15 O ATOM 1193 CB LEU A 86 2.510 -3.992 11.174 1.00 53.30 C ATOM 1194 CG LEU A 86 1.710 -4.463 9.957 1.00 44.01 C ATOM 1195 CD1 LEU A 86 0.274 -3.938 9.925 1.00 74.20 C ATOM 1196 CD2 LEU A 86 2.429 -3.949 8.711 1.00 52.13 C ATOM 0 H LEU A 86 0.649 -3.381 12.742 1.00 0.01 H new ATOM 0 HA LEU A 86 1.978 -5.796 12.249 1.00 64.21 H new ATOM 0 HB2 LEU A 86 2.307 -2.934 11.338 1.00 53.30 H new ATOM 0 HB3 LEU A 86 3.573 -4.081 10.950 1.00 53.30 H new ATOM 0 HG LEU A 86 1.650 -5.550 10.003 1.00 44.01 H new ATOM 0 HD11 LEU A 86 -0.231 -4.313 9.035 1.00 74.20 H new ATOM 0 HD12 LEU A 86 -0.258 -4.278 10.814 1.00 74.20 H new ATOM 0 HD13 LEU A 86 0.285 -2.848 9.904 1.00 74.20 H new ATOM 0 HD21 LEU A 86 1.886 -4.266 7.821 1.00 52.13 H new ATOM 0 HD22 LEU A 86 2.474 -2.860 8.740 1.00 52.13 H new ATOM 0 HD23 LEU A 86 3.441 -4.353 8.682 1.00 52.13 H new ATOM 1207 N GLN A 87 3.463 -3.971 14.439 1.00 61.12 N ATOM 1208 CA GLN A 87 4.543 -3.980 15.420 1.00 4.04 C ATOM 1209 C GLN A 87 4.616 -5.319 16.184 1.00 12.25 C ATOM 1210 O GLN A 87 5.429 -5.441 17.103 1.00 54.24 O ATOM 1211 CB GLN A 87 4.384 -2.760 16.332 1.00 32.52 C ATOM 1212 CG GLN A 87 4.592 -1.428 15.573 1.00 40.42 C ATOM 1213 CD GLN A 87 6.019 -0.865 15.564 1.00 52.14 C ATOM 1214 OE1 GLN A 87 6.950 -1.441 16.129 1.00 61.23 O ATOM 1215 NE2 GLN A 87 6.220 0.281 14.915 1.00 11.44 N ATOM 0 H GLN A 87 2.698 -3.341 14.678 1.00 61.12 H new ATOM 0 HA GLN A 87 5.506 -3.902 14.915 1.00 4.04 H new ATOM 0 HB2 GLN A 87 3.390 -2.770 16.778 1.00 32.52 H new ATOM 0 HB3 GLN A 87 5.101 -2.825 17.150 1.00 32.52 H new ATOM 0 HG2 GLN A 87 4.274 -1.570 14.540 1.00 40.42 H new ATOM 0 HG3 GLN A 87 3.932 -0.679 16.010 1.00 40.42 H new ATOM 0 HE21 GLN A 87 5.441 0.748 14.451 1.00 11.44 H new ATOM 0 HE22 GLN A 87 7.153 0.691 14.882 1.00 11.44 H new ATOM 1222 N ALA A 88 3.790 -6.315 15.827 1.00 60.53 N ATOM 1223 CA ALA A 88 3.830 -7.673 16.350 1.00 34.35 C ATOM 1224 C ALA A 88 4.020 -8.756 15.269 1.00 62.41 C ATOM 1225 O ALA A 88 4.245 -9.911 15.640 1.00 73.10 O ATOM 1226 CB ALA A 88 2.537 -7.932 17.131 1.00 60.23 C ATOM 0 H ALA A 88 3.050 -6.182 15.138 1.00 60.53 H new ATOM 0 HA ALA A 88 4.706 -7.745 16.995 1.00 34.35 H new ATOM 0 HB1 ALA A 88 2.550 -8.946 17.530 1.00 60.23 H new ATOM 0 HB2 ALA A 88 2.459 -7.220 17.952 1.00 60.23 H new ATOM 0 HB3 ALA A 88 1.681 -7.815 16.467 1.00 60.23 H new ATOM 1232 N LEU A 89 3.952 -8.453 13.960 1.00 4.23 N ATOM 1233 CA LEU A 89 3.999 -9.483 12.907 1.00 40.44 C ATOM 1234 C LEU A 89 4.797 -9.029 11.680 1.00 3.03 C ATOM 1235 O LEU A 89 5.176 -7.863 11.560 1.00 0.13 O ATOM 1236 CB LEU A 89 2.568 -9.949 12.559 1.00 14.42 C ATOM 1237 CG LEU A 89 1.702 -8.972 11.732 1.00 40.11 C ATOM 1238 CD1 LEU A 89 1.871 -9.152 10.220 1.00 33.11 C ATOM 1239 CD2 LEU A 89 0.219 -9.177 12.058 1.00 0.15 C ATOM 0 H LEU A 89 3.864 -7.501 13.606 1.00 4.23 H new ATOM 0 HA LEU A 89 4.543 -10.345 13.294 1.00 40.44 H new ATOM 0 HB2 LEU A 89 2.640 -10.888 12.010 1.00 14.42 H new ATOM 0 HB3 LEU A 89 2.044 -10.163 13.490 1.00 14.42 H new ATOM 0 HG LEU A 89 2.039 -7.971 12.003 1.00 40.11 H new ATOM 0 HD11 LEU A 89 1.237 -8.437 9.695 1.00 33.11 H new ATOM 0 HD12 LEU A 89 2.913 -8.982 9.947 1.00 33.11 H new ATOM 0 HD13 LEU A 89 1.584 -10.166 9.940 1.00 33.11 H new ATOM 0 HD21 LEU A 89 -0.382 -8.484 11.470 1.00 0.15 H new ATOM 0 HD22 LEU A 89 -0.068 -10.201 11.817 1.00 0.15 H new ATOM 0 HD23 LEU A 89 0.051 -8.993 13.119 1.00 0.15 H new ATOM 1250 N HIS A 90 5.080 -9.963 10.767 1.00 55.23 N ATOM 1251 CA HIS A 90 5.836 -9.755 9.533 1.00 51.03 C ATOM 1252 C HIS A 90 5.430 -10.825 8.501 1.00 53.44 C ATOM 1253 O HIS A 90 4.996 -11.907 8.910 1.00 31.52 O ATOM 1254 CB HIS A 90 7.347 -9.852 9.840 1.00 73.12 C ATOM 1255 CG HIS A 90 7.766 -11.164 10.470 1.00 41.12 C ATOM 1256 ND1 HIS A 90 7.469 -11.580 11.751 1.00 75.10 N ATOM 1257 CD2 HIS A 90 8.433 -12.186 9.846 1.00 2.41 C ATOM 1258 CE1 HIS A 90 7.915 -12.840 11.876 1.00 33.11 C ATOM 1259 NE2 HIS A 90 8.517 -13.254 10.746 1.00 21.12 N ATOM 0 H HIS A 90 4.773 -10.930 10.875 1.00 55.23 H new ATOM 0 HA HIS A 90 5.619 -8.768 9.124 1.00 51.03 H new ATOM 0 HB2 HIS A 90 7.905 -9.711 8.914 1.00 73.12 H new ATOM 0 HB3 HIS A 90 7.625 -9.036 10.507 1.00 73.12 H new ATOM 0 HD2 HIS A 90 8.824 -12.170 8.839 1.00 2.41 H new ATOM 0 HE1 HIS A 90 7.805 -13.442 12.766 1.00 33.11 H new ATOM 0 HE2 HIS A 90 8.948 -14.163 10.579 1.00 21.12 H new ATOM 1266 N PRO A 91 5.608 -10.581 7.187 1.00 44.42 N ATOM 1267 CA PRO A 91 5.407 -11.595 6.157 1.00 20.53 C ATOM 1268 C PRO A 91 6.565 -12.599 6.141 1.00 24.44 C ATOM 1269 O PRO A 91 7.682 -12.234 6.519 1.00 33.34 O ATOM 1270 CB PRO A 91 5.335 -10.830 4.828 1.00 4.23 C ATOM 1271 CG PRO A 91 6.181 -9.585 5.089 1.00 40.41 C ATOM 1272 CD PRO A 91 5.984 -9.312 6.581 1.00 24.32 C ATOM 0 HA PRO A 91 4.500 -12.172 6.340 1.00 20.53 H new ATOM 0 HB2 PRO A 91 5.733 -11.420 4.003 1.00 4.23 H new ATOM 0 HB3 PRO A 91 4.308 -10.571 4.569 1.00 4.23 H new ATOM 0 HG2 PRO A 91 7.230 -9.758 4.850 1.00 40.41 H new ATOM 0 HG3 PRO A 91 5.850 -8.743 4.482 1.00 40.41 H new ATOM 0 HD2 PRO A 91 6.899 -8.924 7.029 1.00 24.32 H new ATOM 0 HD3 PRO A 91 5.209 -8.562 6.739 1.00 24.32 H new ATOM 1277 N PRO A 92 6.342 -13.826 5.642 1.00 34.55 N ATOM 1278 CA PRO A 92 7.381 -14.843 5.523 1.00 24.44 C ATOM 1279 C PRO A 92 8.263 -14.664 4.294 1.00 60.22 C ATOM 1280 O PRO A 92 9.303 -15.312 4.164 1.00 71.13 O ATOM 1281 CB PRO A 92 6.612 -16.165 5.472 1.00 61.32 C ATOM 1282 CG PRO A 92 5.319 -15.785 4.756 1.00 72.12 C ATOM 1283 CD PRO A 92 5.046 -14.379 5.278 1.00 20.21 C ATOM 0 HA PRO A 92 8.080 -14.789 6.357 1.00 24.44 H new ATOM 0 HB2 PRO A 92 7.164 -16.932 4.928 1.00 61.32 H new ATOM 0 HB3 PRO A 92 6.420 -16.558 6.470 1.00 61.32 H new ATOM 0 HG2 PRO A 92 5.437 -15.799 3.673 1.00 72.12 H new ATOM 0 HG3 PRO A 92 4.507 -16.471 4.996 1.00 72.12 H new ATOM 0 HD2 PRO A 92 4.561 -13.768 4.517 1.00 20.21 H new ATOM 0 HD3 PRO A 92 4.378 -14.406 6.139 1.00 20.21 H new ATOM 1288 N LEU A 93 7.876 -13.764 3.397 1.00 55.21 N ATOM 1289 CA LEU A 93 8.767 -13.206 2.408 1.00 0.33 C ATOM 1290 C LEU A 93 9.988 -12.621 3.127 1.00 51.04 C ATOM 1291 O LEU A 93 9.828 -11.840 4.066 1.00 64.51 O ATOM 1292 CB LEU A 93 7.939 -12.181 1.616 1.00 51.20 C ATOM 1293 CG LEU A 93 8.701 -11.204 0.719 1.00 12.13 C ATOM 1294 CD1 LEU A 93 9.400 -10.134 1.567 1.00 12.02 C ATOM 1295 CD2 LEU A 93 9.615 -11.903 -0.293 1.00 43.44 C ATOM 0 H LEU A 93 6.924 -13.403 3.342 1.00 55.21 H new ATOM 0 HA LEU A 93 9.164 -13.936 1.703 1.00 0.33 H new ATOM 0 HB2 LEU A 93 7.231 -12.728 0.993 1.00 51.20 H new ATOM 0 HB3 LEU A 93 7.354 -11.599 2.328 1.00 51.20 H new ATOM 0 HG LEU A 93 7.976 -10.684 0.092 1.00 12.13 H new ATOM 0 HD11 LEU A 93 9.938 -9.446 0.914 1.00 12.02 H new ATOM 0 HD12 LEU A 93 8.656 -9.582 2.142 1.00 12.02 H new ATOM 0 HD13 LEU A 93 10.103 -10.612 2.249 1.00 12.02 H new ATOM 0 HD21 LEU A 93 10.127 -11.155 -0.899 1.00 43.44 H new ATOM 0 HD22 LEU A 93 10.352 -12.506 0.238 1.00 43.44 H new ATOM 0 HD23 LEU A 93 9.018 -12.546 -0.939 1.00 43.44 H new ATOM 1306 N THR A 94 11.203 -12.930 2.675 1.00 32.22 N ATOM 1307 CA THR A 94 12.404 -12.132 2.927 1.00 60.53 C ATOM 1308 C THR A 94 13.335 -12.326 1.724 1.00 72.51 C ATOM 1309 O THR A 94 13.677 -13.462 1.374 1.00 23.30 O ATOM 1310 CB THR A 94 13.065 -12.531 4.256 1.00 52.10 C ATOM 1311 OG1 THR A 94 12.216 -12.241 5.347 1.00 74.54 O ATOM 1312 CG2 THR A 94 14.413 -11.867 4.520 1.00 44.00 C ATOM 0 H THR A 94 11.384 -13.760 2.111 1.00 32.22 H new ATOM 0 HA THR A 94 12.158 -11.075 3.031 1.00 60.53 H new ATOM 0 HB THR A 94 13.241 -13.602 4.160 1.00 52.10 H new ATOM 0 HG1 THR A 94 11.348 -11.932 5.013 1.00 74.54 H new ATOM 0 HG21 THR A 94 14.804 -12.207 5.479 1.00 44.00 H new ATOM 0 HG22 THR A 94 15.112 -12.134 3.727 1.00 44.00 H new ATOM 0 HG23 THR A 94 14.287 -10.785 4.543 1.00 44.00 H new ATOM 1320 N ILE A 95 13.753 -11.231 1.095 1.00 71.13 N ATOM 1321 CA ILE A 95 14.751 -11.183 0.029 1.00 24.32 C ATOM 1322 C ILE A 95 15.995 -10.508 0.610 1.00 41.34 C ATOM 1323 O ILE A 95 15.875 -9.526 1.339 1.00 14.14 O ATOM 1324 CB ILE A 95 14.149 -10.523 -1.243 1.00 60.32 C ATOM 1325 CG1 ILE A 95 15.038 -10.683 -2.496 1.00 13.12 C ATOM 1326 CG2 ILE A 95 13.736 -9.061 -1.043 1.00 62.22 C ATOM 1327 CD1 ILE A 95 16.083 -9.583 -2.735 1.00 54.43 C ATOM 0 H ILE A 95 13.387 -10.307 1.326 1.00 71.13 H new ATOM 0 HA ILE A 95 15.056 -12.171 -0.316 1.00 24.32 H new ATOM 0 HB ILE A 95 13.233 -11.086 -1.425 1.00 60.32 H new ATOM 0 HG12 ILE A 95 15.557 -11.639 -2.427 1.00 13.12 H new ATOM 0 HG13 ILE A 95 14.390 -10.735 -3.371 1.00 13.12 H new ATOM 0 HG21 ILE A 95 13.325 -8.669 -1.973 1.00 62.22 H new ATOM 0 HG22 ILE A 95 12.982 -9.000 -0.259 1.00 62.22 H new ATOM 0 HG23 ILE A 95 14.607 -8.473 -0.755 1.00 62.22 H new ATOM 0 HD11 ILE A 95 16.644 -9.805 -3.642 1.00 54.43 H new ATOM 0 HD12 ILE A 95 15.581 -8.622 -2.845 1.00 54.43 H new ATOM 0 HD13 ILE A 95 16.766 -9.540 -1.887 1.00 54.43 H new ATOM 1338 N ASP A 96 17.178 -11.063 0.340 1.00 4.40 N ATOM 1339 CA ASP A 96 18.515 -10.607 0.773 1.00 24.20 C ATOM 1340 C ASP A 96 18.610 -10.286 2.278 1.00 33.12 C ATOM 1341 O ASP A 96 19.467 -9.512 2.708 1.00 52.35 O ATOM 1342 CB ASP A 96 18.983 -9.427 -0.099 1.00 11.21 C ATOM 1343 CG ASP A 96 19.699 -9.807 -1.393 1.00 35.41 C ATOM 1344 OD1 ASP A 96 19.161 -10.565 -2.229 1.00 32.21 O ATOM 1345 OD2 ASP A 96 20.768 -9.208 -1.649 1.00 24.24 O ATOM 0 H ASP A 96 17.239 -11.907 -0.230 1.00 4.40 H new ATOM 0 HA ASP A 96 19.195 -11.446 0.626 1.00 24.20 H new ATOM 0 HB2 ASP A 96 18.115 -8.818 -0.350 1.00 11.21 H new ATOM 0 HB3 ASP A 96 19.650 -8.802 0.494 1.00 11.21 H new ATOM 1349 N GLY A 97 17.734 -10.866 3.103 1.00 64.54 N ATOM 1350 CA GLY A 97 17.691 -10.623 4.540 1.00 13.32 C ATOM 1351 C GLY A 97 17.069 -9.271 4.895 1.00 31.45 C ATOM 1352 O GLY A 97 17.477 -8.627 5.866 1.00 3.33 O ATOM 0 H GLY A 97 17.026 -11.527 2.783 1.00 64.54 H new ATOM 0 HA2 GLY A 97 17.121 -11.418 5.021 1.00 13.32 H new ATOM 0 HA3 GLY A 97 18.703 -10.669 4.942 1.00 13.32 H new ATOM 1356 N LYS A 98 16.095 -8.811 4.104 1.00 51.14 N ATOM 1357 CA LYS A 98 15.432 -7.534 4.334 1.00 53.23 C ATOM 1358 C LYS A 98 14.079 -7.751 4.937 1.00 53.33 C ATOM 1359 O LYS A 98 13.315 -8.622 4.535 1.00 4.11 O ATOM 1360 CB LYS A 98 15.276 -6.728 3.056 1.00 43.20 C ATOM 1361 CG LYS A 98 16.634 -6.260 2.562 1.00 60.31 C ATOM 1362 CD LYS A 98 17.212 -5.005 3.230 1.00 63.51 C ATOM 1363 CE LYS A 98 16.532 -3.732 2.711 1.00 71.22 C ATOM 1364 NZ LYS A 98 17.429 -2.876 1.910 1.00 35.41 N ATOM 0 H LYS A 98 15.748 -9.316 3.289 1.00 51.14 H new ATOM 0 HA LYS A 98 16.065 -6.970 5.019 1.00 53.23 H new ATOM 0 HB2 LYS A 98 14.792 -7.335 2.291 1.00 43.20 H new ATOM 0 HB3 LYS A 98 14.630 -5.868 3.236 1.00 43.20 H new ATOM 0 HG2 LYS A 98 17.345 -7.075 2.696 1.00 60.31 H new ATOM 0 HG3 LYS A 98 16.561 -6.073 1.491 1.00 60.31 H new ATOM 0 HD2 LYS A 98 17.083 -5.074 4.310 1.00 63.51 H new ATOM 0 HD3 LYS A 98 18.284 -4.950 3.040 1.00 63.51 H new ATOM 0 HE2 LYS A 98 15.670 -4.010 2.105 1.00 71.22 H new ATOM 0 HE3 LYS A 98 16.155 -3.159 3.558 1.00 71.22 H new ATOM 0 HZ1 LYS A 98 16.962 -1.967 1.718 1.00 35.41 H new ATOM 0 HZ2 LYS A 98 18.310 -2.708 2.436 1.00 35.41 H new ATOM 0 HZ3 LYS A 98 17.648 -3.349 1.010 1.00 35.41 H new ATOM 1374 N THR A 99 13.764 -6.858 5.838 1.00 42.30 N ATOM 1375 CA THR A 99 12.743 -7.061 6.849 1.00 22.13 C ATOM 1376 C THR A 99 11.919 -5.784 6.883 1.00 75.44 C ATOM 1377 O THR A 99 12.451 -4.705 7.153 1.00 32.14 O ATOM 1378 CB THR A 99 13.408 -7.511 8.169 1.00 23.45 C ATOM 1379 OG1 THR A 99 14.644 -6.845 8.412 1.00 61.32 O ATOM 1380 CG2 THR A 99 13.714 -9.011 8.066 1.00 62.52 C ATOM 0 H THR A 99 14.217 -5.946 5.896 1.00 42.30 H new ATOM 0 HA THR A 99 12.046 -7.872 6.637 1.00 22.13 H new ATOM 0 HB THR A 99 12.720 -7.274 8.981 1.00 23.45 H new ATOM 0 HG1 THR A 99 15.025 -7.161 9.258 1.00 61.32 H new ATOM 0 HG21 THR A 99 14.185 -9.351 8.989 1.00 62.52 H new ATOM 0 HG22 THR A 99 12.787 -9.561 7.908 1.00 62.52 H new ATOM 0 HG23 THR A 99 14.388 -9.188 7.228 1.00 62.52 H new ATOM 1388 N ILE A 100 10.680 -5.905 6.409 1.00 22.55 N ATOM 1389 CA ILE A 100 9.820 -4.821 5.954 1.00 64.42 C ATOM 1390 C ILE A 100 9.452 -3.990 7.177 1.00 23.42 C ATOM 1391 O ILE A 100 8.698 -4.422 8.052 1.00 72.13 O ATOM 1392 CB ILE A 100 8.567 -5.375 5.248 1.00 43.43 C ATOM 1393 CG1 ILE A 100 8.847 -6.563 4.295 1.00 35.42 C ATOM 1394 CG2 ILE A 100 7.759 -4.291 4.514 1.00 1.11 C ATOM 1395 CD1 ILE A 100 9.925 -6.289 3.232 1.00 12.15 C ATOM 0 H ILE A 100 10.227 -6.815 6.329 1.00 22.55 H new ATOM 0 HA ILE A 100 10.337 -4.199 5.223 1.00 64.42 H new ATOM 0 HB ILE A 100 7.961 -5.759 6.069 1.00 43.43 H new ATOM 0 HG12 ILE A 100 9.151 -7.425 4.889 1.00 35.42 H new ATOM 0 HG13 ILE A 100 7.919 -6.835 3.791 1.00 35.42 H new ATOM 0 HG21 ILE A 100 6.890 -4.745 4.038 1.00 1.11 H new ATOM 0 HG22 ILE A 100 7.429 -3.537 5.228 1.00 1.11 H new ATOM 0 HG23 ILE A 100 8.385 -3.822 3.755 1.00 1.11 H new ATOM 0 HD11 ILE A 100 10.056 -7.174 2.610 1.00 12.15 H new ATOM 0 HD12 ILE A 100 9.616 -5.450 2.609 1.00 12.15 H new ATOM 0 HD13 ILE A 100 10.868 -6.049 3.723 1.00 12.15 H new ATOM 1406 N ASN A 101 10.018 -2.800 7.241 1.00 55.14 N ATOM 1407 CA ASN A 101 9.771 -1.885 8.339 1.00 12.24 C ATOM 1408 C ASN A 101 8.392 -1.277 8.184 1.00 12.45 C ATOM 1409 O ASN A 101 7.813 -1.247 7.090 1.00 15.42 O ATOM 1410 CB ASN A 101 10.815 -0.763 8.394 1.00 52.20 C ATOM 1411 CG ASN A 101 11.834 -1.000 9.489 1.00 72.42 C ATOM 1412 OD1 ASN A 101 12.565 -1.979 9.472 1.00 44.31 O ATOM 1413 ND2 ASN A 101 11.910 -0.111 10.461 1.00 21.22 N ATOM 0 H ASN A 101 10.661 -2.441 6.535 1.00 55.14 H new ATOM 0 HA ASN A 101 9.838 -2.451 9.268 1.00 12.24 H new ATOM 0 HB2 ASN A 101 11.324 -0.692 7.433 1.00 52.20 H new ATOM 0 HB3 ASN A 101 10.315 0.191 8.562 1.00 52.20 H new ATOM 0 HD21 ASN A 101 12.587 -0.235 11.214 1.00 21.22 H new ATOM 0 HD22 ASN A 101 11.292 0.700 10.459 1.00 21.22 H new ATOM 1419 N VAL A 102 7.902 -0.714 9.277 1.00 61.23 N ATOM 1420 CA VAL A 102 6.669 0.001 9.366 1.00 3.44 C ATOM 1421 C VAL A 102 6.968 1.465 9.658 1.00 75.13 C ATOM 1422 O VAL A 102 7.953 1.769 10.330 1.00 60.22 O ATOM 1423 CB VAL A 102 5.827 -0.654 10.460 1.00 74.31 C ATOM 1424 CG1 VAL A 102 5.414 -2.084 10.110 1.00 63.11 C ATOM 1425 CG2 VAL A 102 6.428 -0.653 11.864 1.00 31.55 C ATOM 0 H VAL A 102 8.394 -0.755 10.170 1.00 61.23 H new ATOM 0 HA VAL A 102 6.107 -0.035 8.433 1.00 3.44 H new ATOM 0 HB VAL A 102 4.955 -0.000 10.493 1.00 74.31 H new ATOM 0 HG11 VAL A 102 4.818 -2.500 10.922 1.00 63.11 H new ATOM 0 HG12 VAL A 102 4.824 -2.078 9.193 1.00 63.11 H new ATOM 0 HG13 VAL A 102 6.305 -2.695 9.964 1.00 63.11 H new ATOM 0 HG21 VAL A 102 5.742 -1.144 12.554 1.00 31.55 H new ATOM 0 HG22 VAL A 102 7.377 -1.189 11.854 1.00 31.55 H new ATOM 0 HG23 VAL A 102 6.595 0.374 12.188 1.00 31.55 H new ATOM 1435 N GLU A 103 6.114 2.356 9.161 1.00 71.20 N ATOM 1436 CA GLU A 103 6.034 3.779 9.469 1.00 33.52 C ATOM 1437 C GLU A 103 4.793 4.316 8.729 1.00 75.21 C ATOM 1438 O GLU A 103 4.327 3.684 7.777 1.00 15.14 O ATOM 1439 CB GLU A 103 7.324 4.483 8.987 1.00 64.12 C ATOM 1440 CG GLU A 103 7.268 6.015 9.049 1.00 42.03 C ATOM 1441 CD GLU A 103 8.662 6.644 9.119 1.00 4.03 C ATOM 1442 OE1 GLU A 103 9.398 6.417 10.106 1.00 3.02 O ATOM 1443 OE2 GLU A 103 9.047 7.405 8.206 1.00 34.45 O ATOM 0 H GLU A 103 5.406 2.079 8.481 1.00 71.20 H new ATOM 0 HA GLU A 103 5.944 3.963 10.540 1.00 33.52 H new ATOM 0 HB2 GLU A 103 8.161 4.137 9.593 1.00 64.12 H new ATOM 0 HB3 GLU A 103 7.527 4.180 7.960 1.00 64.12 H new ATOM 0 HG2 GLU A 103 6.745 6.393 8.171 1.00 42.03 H new ATOM 0 HG3 GLU A 103 6.690 6.320 9.921 1.00 42.03 H new ATOM 1448 N PHE A 104 4.276 5.495 9.091 1.00 75.44 N ATOM 1449 CA PHE A 104 3.294 6.204 8.282 1.00 11.24 C ATOM 1450 C PHE A 104 3.735 7.643 8.021 1.00 12.25 C ATOM 1451 O PHE A 104 4.324 8.275 8.899 1.00 71.53 O ATOM 1452 CB PHE A 104 1.889 6.026 8.861 1.00 63.43 C ATOM 1453 CG PHE A 104 1.619 6.365 10.304 1.00 0.41 C ATOM 1454 CD1 PHE A 104 1.817 7.664 10.795 1.00 2.14 C ATOM 1455 CD2 PHE A 104 1.052 5.382 11.130 1.00 51.44 C ATOM 1456 CE1 PHE A 104 1.515 7.960 12.137 1.00 51.40 C ATOM 1457 CE2 PHE A 104 0.756 5.666 12.472 1.00 53.12 C ATOM 1458 CZ PHE A 104 0.988 6.959 12.974 1.00 42.43 C ATOM 0 H PHE A 104 4.530 5.979 9.952 1.00 75.44 H new ATOM 0 HA PHE A 104 3.236 5.762 7.287 1.00 11.24 H new ATOM 0 HB2 PHE A 104 1.210 6.626 8.255 1.00 63.43 H new ATOM 0 HB3 PHE A 104 1.608 4.983 8.715 1.00 63.43 H new ATOM 0 HD1 PHE A 104 2.201 8.436 10.144 1.00 2.14 H new ATOM 0 HD2 PHE A 104 0.842 4.401 10.730 1.00 51.44 H new ATOM 0 HE1 PHE A 104 1.687 8.953 12.524 1.00 51.40 H new ATOM 0 HE2 PHE A 104 0.353 4.897 13.115 1.00 53.12 H new ATOM 0 HZ PHE A 104 0.761 7.185 14.005 1.00 42.43 H new ATOM 1467 N ALA A 105 3.466 8.173 6.822 1.00 63.14 N ATOM 1468 CA ALA A 105 3.746 9.562 6.480 1.00 74.30 C ATOM 1469 C ALA A 105 2.430 10.319 6.600 1.00 52.40 C ATOM 1470 O ALA A 105 1.727 10.547 5.618 1.00 21.23 O ATOM 1471 CB ALA A 105 4.381 9.688 5.088 1.00 35.33 C ATOM 0 H ALA A 105 3.045 7.642 6.060 1.00 63.14 H new ATOM 0 HA ALA A 105 4.482 9.990 7.160 1.00 74.30 H new ATOM 0 HB1 ALA A 105 4.574 10.738 4.870 1.00 35.33 H new ATOM 0 HB2 ALA A 105 5.319 9.134 5.065 1.00 35.33 H new ATOM 0 HB3 ALA A 105 3.701 9.282 4.340 1.00 35.33 H new ATOM 1477 N LYS A 106 2.021 10.623 7.832 1.00 20.31 N ATOM 1478 CA LYS A 106 0.899 11.487 8.119 1.00 61.14 C ATOM 1479 C LYS A 106 1.363 12.937 7.956 1.00 1.34 C ATOM 1480 O LYS A 106 2.420 13.311 8.477 1.00 32.25 O ATOM 1481 CB LYS A 106 0.510 11.135 9.553 1.00 52.04 C ATOM 1482 CG LYS A 106 -0.511 12.050 10.213 1.00 4.31 C ATOM 1483 CD LYS A 106 -1.931 11.474 10.223 1.00 13.25 C ATOM 1484 CE LYS A 106 -2.810 12.302 11.176 1.00 14.15 C ATOM 1485 NZ LYS A 106 -4.253 11.994 11.059 1.00 74.44 N ATOM 0 H LYS A 106 2.477 10.262 8.670 1.00 20.31 H new ATOM 0 HA LYS A 106 0.040 11.364 7.459 1.00 61.14 H new ATOM 0 HB2 LYS A 106 0.116 10.119 9.562 1.00 52.04 H new ATOM 0 HB3 LYS A 106 1.413 11.132 10.163 1.00 52.04 H new ATOM 0 HG2 LYS A 106 -0.200 12.248 11.239 1.00 4.31 H new ATOM 0 HG3 LYS A 106 -0.519 13.008 9.692 1.00 4.31 H new ATOM 0 HD2 LYS A 106 -2.350 11.491 9.217 1.00 13.25 H new ATOM 0 HD3 LYS A 106 -1.911 10.432 10.542 1.00 13.25 H new ATOM 0 HE2 LYS A 106 -2.490 12.123 12.202 1.00 14.15 H new ATOM 0 HE3 LYS A 106 -2.654 13.362 10.974 1.00 14.15 H new ATOM 0 HZ1 LYS A 106 -4.789 12.584 11.726 1.00 74.44 H new ATOM 0 HZ2 LYS A 106 -4.572 12.191 10.089 1.00 74.44 H new ATOM 0 HZ3 LYS A 106 -4.413 10.990 11.279 1.00 74.44 H new ATOM 1495 N GLY A 107 0.556 13.744 7.272 1.00 74.12 N ATOM 1496 CA GLY A 107 0.803 15.158 7.074 1.00 12.41 C ATOM 1497 C GLY A 107 1.874 15.420 6.024 1.00 52.10 C ATOM 1498 O GLY A 107 2.616 14.526 5.612 1.00 55.32 O ATOM 0 H GLY A 107 -0.305 13.420 6.833 1.00 74.12 H new ATOM 0 HA2 GLY A 107 -0.124 15.647 6.773 1.00 12.41 H new ATOM 0 HA3 GLY A 107 1.108 15.606 8.020 1.00 12.41 H new ATOM 1502 N SER A 108 1.967 16.683 5.627 1.00 40.31 N ATOM 1503 CA SER A 108 3.128 17.277 4.978 1.00 24.35 C ATOM 1504 C SER A 108 3.310 18.696 5.534 1.00 1.21 C ATOM 1505 O SER A 108 2.634 19.069 6.503 1.00 13.12 O ATOM 1506 CB SER A 108 3.010 17.191 3.448 1.00 43.14 C ATOM 1507 OG SER A 108 1.891 17.881 2.931 1.00 3.14 O ATOM 0 H SER A 108 1.204 17.348 5.754 1.00 40.31 H new ATOM 0 HA SER A 108 4.038 16.722 5.204 1.00 24.35 H new ATOM 0 HB2 SER A 108 3.917 17.596 2.998 1.00 43.14 H new ATOM 0 HB3 SER A 108 2.949 16.143 3.154 1.00 43.14 H new ATOM 0 HG SER A 108 1.873 17.790 1.955 1.00 3.14 H new ATOM 1512 N LYS A 109 4.235 19.484 4.985 1.00 11.52 N ATOM 1513 CA LYS A 109 4.235 20.935 5.154 1.00 51.10 C ATOM 1514 C LYS A 109 3.702 21.497 3.847 1.00 33.03 C ATOM 1515 O LYS A 109 4.085 20.992 2.788 1.00 4.33 O ATOM 1516 CB LYS A 109 5.638 21.475 5.468 1.00 33.01 C ATOM 1517 CG LYS A 109 6.009 21.370 6.956 1.00 55.11 C ATOM 1518 CD LYS A 109 6.428 19.959 7.401 1.00 3.11 C ATOM 1519 CE LYS A 109 6.711 19.853 8.904 1.00 52.44 C ATOM 1520 NZ LYS A 109 7.664 20.876 9.378 1.00 2.15 N ATOM 0 H LYS A 109 5.003 19.134 4.412 1.00 11.52 H new ATOM 0 HA LYS A 109 3.617 21.233 6.001 1.00 51.10 H new ATOM 0 HB2 LYS A 109 6.372 20.926 4.878 1.00 33.01 H new ATOM 0 HB3 LYS A 109 5.696 22.519 5.159 1.00 33.01 H new ATOM 0 HG2 LYS A 109 6.824 22.062 7.166 1.00 55.11 H new ATOM 0 HG3 LYS A 109 5.157 21.690 7.555 1.00 55.11 H new ATOM 0 HD2 LYS A 109 5.640 19.254 7.137 1.00 3.11 H new ATOM 0 HD3 LYS A 109 7.320 19.662 6.849 1.00 3.11 H new ATOM 0 HE2 LYS A 109 5.775 19.952 9.454 1.00 52.44 H new ATOM 0 HE3 LYS A 109 7.108 18.862 9.126 1.00 52.44 H new ATOM 0 HZ1 LYS A 109 7.898 20.697 10.375 1.00 2.15 H new ATOM 0 HZ2 LYS A 109 8.532 20.834 8.806 1.00 2.15 H new ATOM 0 HZ3 LYS A 109 7.235 21.819 9.287 1.00 2.15 H new ATOM 1530 N ARG A 110 2.794 22.471 3.896 1.00 22.24 N ATOM 1531 CA ARG A 110 2.151 23.036 2.723 1.00 62.22 C ATOM 1532 C ARG A 110 1.833 24.495 3.012 1.00 0.52 C ATOM 1533 O ARG A 110 0.998 24.767 3.875 1.00 62.44 O ATOM 1534 CB ARG A 110 0.897 22.204 2.376 1.00 34.32 C ATOM 1535 CG ARG A 110 0.626 22.199 0.868 1.00 44.33 C ATOM 1536 CD ARG A 110 0.106 23.523 0.301 1.00 62.01 C ATOM 1537 NE ARG A 110 -1.341 23.686 0.511 1.00 4.51 N ATOM 1538 CZ ARG A 110 -2.127 24.434 -0.267 1.00 3.23 C ATOM 1539 NH1 ARG A 110 -1.596 25.233 -1.183 1.00 41.41 N ATOM 1540 NH2 ARG A 110 -3.441 24.371 -0.116 1.00 44.43 N ATOM 0 H ARG A 110 2.483 22.893 4.771 1.00 22.24 H new ATOM 0 HA ARG A 110 2.803 23.001 1.851 1.00 62.22 H new ATOM 0 HB2 ARG A 110 1.030 21.180 2.726 1.00 34.32 H new ATOM 0 HB3 ARG A 110 0.033 22.611 2.901 1.00 34.32 H new ATOM 0 HG2 ARG A 110 1.548 21.936 0.349 1.00 44.33 H new ATOM 0 HG3 ARG A 110 -0.099 21.416 0.647 1.00 44.33 H new ATOM 0 HD2 ARG A 110 0.636 24.351 0.772 1.00 62.01 H new ATOM 0 HD3 ARG A 110 0.324 23.570 -0.766 1.00 62.01 H new ATOM 0 HE ARG A 110 -1.769 23.198 1.298 1.00 4.51 H new ATOM 0 HH11 ARG A 110 -0.583 25.278 -1.295 1.00 41.41 H new ATOM 0 HH12 ARG A 110 -2.200 25.803 -1.775 1.00 41.41 H new ATOM 0 HH21 ARG A 110 -3.844 23.755 0.590 1.00 44.43 H new ATOM 0 HH22 ARG A 110 -4.050 24.939 -0.706 1.00 44.43 H new ATOM 1551 N ASP A 111 2.463 25.421 2.294 1.00 14.12 N ATOM 1552 CA ASP A 111 2.233 26.857 2.447 1.00 0.51 C ATOM 1553 C ASP A 111 0.831 27.208 1.950 1.00 33.05 C ATOM 1554 O ASP A 111 0.482 26.946 0.794 1.00 73.21 O ATOM 1555 CB ASP A 111 3.269 27.668 1.659 1.00 24.35 C ATOM 1556 CG ASP A 111 4.598 27.770 2.393 1.00 35.05 C ATOM 1557 OD1 ASP A 111 5.431 26.841 2.277 1.00 34.15 O ATOM 1558 OD2 ASP A 111 4.843 28.795 3.066 1.00 52.14 O ATOM 0 H ASP A 111 3.156 25.194 1.581 1.00 14.12 H new ATOM 0 HA ASP A 111 2.328 27.107 3.504 1.00 0.51 H new ATOM 0 HB2 ASP A 111 3.428 27.203 0.686 1.00 24.35 H new ATOM 0 HB3 ASP A 111 2.880 28.669 1.474 1.00 24.35 H new ATOM 1562 N MET A 112 0.016 27.815 2.808 1.00 3.32 N ATOM 1563 CA MET A 112 -1.344 28.256 2.526 1.00 23.15 C ATOM 1564 C MET A 112 -1.754 29.278 3.586 1.00 35.13 C ATOM 1565 O MET A 112 -1.158 29.297 4.664 1.00 75.02 O ATOM 1566 CB MET A 112 -2.286 27.042 2.460 1.00 41.24 C ATOM 1567 CG MET A 112 -2.169 26.006 3.591 1.00 51.21 C ATOM 1568 SD MET A 112 -2.957 26.428 5.161 1.00 12.23 S ATOM 1569 CE MET A 112 -4.671 26.226 4.628 1.00 32.11 C ATOM 0 H MET A 112 0.301 28.022 3.765 1.00 3.32 H new ATOM 0 HA MET A 112 -1.405 28.744 1.553 1.00 23.15 H new ATOM 0 HB2 MET A 112 -3.312 27.410 2.442 1.00 41.24 H new ATOM 0 HB3 MET A 112 -2.114 26.531 1.513 1.00 41.24 H new ATOM 0 HG2 MET A 112 -2.595 25.067 3.238 1.00 51.21 H new ATOM 0 HG3 MET A 112 -1.111 25.825 3.779 1.00 51.21 H new ATOM 0 HE1 MET A 112 -5.249 25.763 5.428 1.00 32.11 H new ATOM 0 HE2 MET A 112 -5.096 27.201 4.391 1.00 32.11 H new ATOM 0 HE3 MET A 112 -4.704 25.591 3.743 1.00 32.11 H new ATOM 1577 N ALA A 113 -2.734 30.141 3.292 1.00 61.32 N ATOM 1578 CA ALA A 113 -3.275 31.160 4.195 1.00 23.45 C ATOM 1579 C ALA A 113 -4.631 31.644 3.665 1.00 42.11 C ATOM 1580 O ALA A 113 -4.971 31.363 2.509 1.00 40.51 O ATOM 1581 CB ALA A 113 -2.311 32.354 4.278 1.00 64.40 C ATOM 0 H ALA A 113 -3.190 30.147 2.380 1.00 61.32 H new ATOM 0 HA ALA A 113 -3.398 30.726 5.187 1.00 23.45 H new ATOM 0 HB1 ALA A 113 -2.721 33.107 4.951 1.00 64.40 H new ATOM 0 HB2 ALA A 113 -1.346 32.017 4.656 1.00 64.40 H new ATOM 0 HB3 ALA A 113 -2.181 32.787 3.286 1.00 64.40 H new ATOM 1587 N SER A 114 -5.364 32.416 4.472 1.00 2.43 N ATOM 1588 CA SER A 114 -6.558 33.174 4.098 1.00 0.14 C ATOM 1589 C SER A 114 -6.676 34.429 4.984 1.00 23.44 C ATOM 1590 O SER A 114 -5.769 34.720 5.773 1.00 75.43 O ATOM 1591 CB SER A 114 -7.805 32.280 4.206 1.00 32.25 C ATOM 1592 OG SER A 114 -8.471 32.226 2.956 1.00 44.42 O ATOM 0 H SER A 114 -5.126 32.534 5.457 1.00 2.43 H new ATOM 0 HA SER A 114 -6.476 33.502 3.062 1.00 0.14 H new ATOM 0 HB2 SER A 114 -7.517 31.276 4.518 1.00 32.25 H new ATOM 0 HB3 SER A 114 -8.478 32.670 4.970 1.00 32.25 H new ATOM 0 HG SER A 114 -9.263 31.654 3.032 1.00 44.42 H new ATOM 1597 N ASN A 115 -7.762 35.191 4.835 1.00 53.24 N ATOM 1598 CA ASN A 115 -8.112 36.373 5.619 1.00 41.31 C ATOM 1599 C ASN A 115 -9.636 36.478 5.716 1.00 53.30 C ATOM 1600 O ASN A 115 -10.352 35.734 5.049 1.00 35.45 O ATOM 1601 CB ASN A 115 -7.561 37.655 4.967 1.00 21.45 C ATOM 1602 CG ASN A 115 -8.386 38.097 3.761 1.00 31.45 C ATOM 1603 OD1 ASN A 115 -8.363 37.460 2.709 1.00 12.32 O ATOM 1604 ND2 ASN A 115 -9.122 39.190 3.878 1.00 61.23 N ATOM 0 H ASN A 115 -8.461 34.985 4.121 1.00 53.24 H new ATOM 0 HA ASN A 115 -7.671 36.271 6.611 1.00 41.31 H new ATOM 0 HB2 ASN A 115 -7.544 38.456 5.706 1.00 21.45 H new ATOM 0 HB3 ASN A 115 -6.530 37.487 4.656 1.00 21.45 H new ATOM 0 HD21 ASN A 115 -9.681 39.515 3.089 1.00 61.23 H new ATOM 0 HD22 ASN A 115 -9.131 39.707 4.757 1.00 61.23 H new ATOM 1610 N GLU A 116 -10.124 37.434 6.508 1.00 3.13 N ATOM 1611 CA GLU A 116 -11.509 37.890 6.554 1.00 20.23 C ATOM 1612 C GLU A 116 -11.484 39.325 7.128 1.00 62.01 C ATOM 1613 O GLU A 116 -10.402 39.806 7.479 1.00 41.11 O ATOM 1614 CB GLU A 116 -12.307 36.904 7.435 1.00 53.21 C ATOM 1615 CG GLU A 116 -13.835 36.992 7.339 1.00 71.31 C ATOM 1616 CD GLU A 116 -14.392 36.596 5.968 1.00 74.00 C ATOM 1617 OE1 GLU A 116 -14.138 37.293 4.963 1.00 24.41 O ATOM 1618 OE2 GLU A 116 -15.228 35.667 5.908 1.00 52.22 O ATOM 0 H GLU A 116 -9.530 37.936 7.168 1.00 3.13 H new ATOM 0 HA GLU A 116 -11.991 37.914 5.577 1.00 20.23 H new ATOM 0 HB2 GLU A 116 -12.005 35.890 7.173 1.00 53.21 H new ATOM 0 HB3 GLU A 116 -12.020 37.064 8.474 1.00 53.21 H new ATOM 0 HG2 GLU A 116 -14.275 36.347 8.100 1.00 71.31 H new ATOM 0 HG3 GLU A 116 -14.146 38.012 7.566 1.00 71.31 H new ATOM 1623 N GLY A 117 -12.632 40.005 7.272 1.00 23.45 N ATOM 1624 CA GLY A 117 -12.755 41.171 8.156 1.00 64.30 C ATOM 1625 C GLY A 117 -13.710 42.282 7.710 1.00 53.43 C ATOM 1626 O GLY A 117 -13.747 43.331 8.358 1.00 23.14 O ATOM 0 H GLY A 117 -13.494 39.764 6.783 1.00 23.45 H new ATOM 0 HA2 GLY A 117 -13.077 40.821 9.137 1.00 64.30 H new ATOM 0 HA3 GLY A 117 -11.764 41.606 8.283 1.00 64.30 H new ATOM 1630 N SER A 118 -14.458 42.102 6.621 1.00 51.10 N ATOM 1631 CA SER A 118 -15.338 43.099 6.011 1.00 15.31 C ATOM 1632 C SER A 118 -16.514 43.503 6.930 1.00 34.14 C ATOM 1633 O SER A 118 -17.618 42.972 6.828 1.00 74.22 O ATOM 1634 CB SER A 118 -15.793 42.562 4.635 1.00 0.44 C ATOM 1635 OG SER A 118 -15.661 41.147 4.531 1.00 73.41 O ATOM 0 H SER A 118 -14.467 41.215 6.117 1.00 51.10 H new ATOM 0 HA SER A 118 -14.789 44.029 5.864 1.00 15.31 H new ATOM 0 HB2 SER A 118 -16.833 42.840 4.466 1.00 0.44 H new ATOM 0 HB3 SER A 118 -15.204 43.037 3.850 1.00 0.44 H new ATOM 0 HG SER A 118 -15.962 40.855 3.645 1.00 73.41 H new ATOM 1640 N ARG A 119 -16.295 44.461 7.837 1.00 53.40 N ATOM 1641 CA ARG A 119 -17.275 44.902 8.837 1.00 34.31 C ATOM 1642 C ARG A 119 -17.265 46.417 9.086 1.00 21.14 C ATOM 1643 O ARG A 119 -17.567 46.845 10.199 1.00 61.04 O ATOM 1644 CB ARG A 119 -17.098 44.075 10.127 1.00 75.30 C ATOM 1645 CG ARG A 119 -15.767 44.325 10.866 1.00 60.32 C ATOM 1646 CD ARG A 119 -15.973 44.854 12.292 1.00 22.31 C ATOM 1647 NE ARG A 119 -16.595 43.846 13.174 1.00 60.11 N ATOM 1648 CZ ARG A 119 -17.409 44.081 14.211 1.00 43.10 C ATOM 1649 NH1 ARG A 119 -17.787 45.327 14.507 1.00 74.32 N ATOM 1650 NH2 ARG A 119 -17.841 43.060 14.950 1.00 43.12 N ATOM 0 H ARG A 119 -15.410 44.964 7.898 1.00 53.40 H new ATOM 0 HA ARG A 119 -18.271 44.712 8.436 1.00 34.31 H new ATOM 0 HB2 ARG A 119 -17.923 44.299 10.804 1.00 75.30 H new ATOM 0 HB3 ARG A 119 -17.168 43.016 9.878 1.00 75.30 H new ATOM 0 HG2 ARG A 119 -15.198 43.396 10.906 1.00 60.32 H new ATOM 0 HG3 ARG A 119 -15.170 45.040 10.300 1.00 60.32 H new ATOM 0 HD2 ARG A 119 -15.012 45.156 12.709 1.00 22.31 H new ATOM 0 HD3 ARG A 119 -16.601 45.744 12.261 1.00 22.31 H new ATOM 0 HE ARG A 119 -16.382 42.869 12.972 1.00 60.11 H new ATOM 0 HH11 ARG A 119 -17.455 46.108 13.941 1.00 74.32 H new ATOM 0 HH12 ARG A 119 -18.407 45.497 15.299 1.00 74.32 H new ATOM 0 HH21 ARG A 119 -17.551 42.108 14.724 1.00 43.12 H new ATOM 0 HH22 ARG A 119 -18.461 43.230 15.742 1.00 43.12 H new ATOM 1661 N ILE A 120 -16.879 47.230 8.101 1.00 43.40 N ATOM 1662 CA ILE A 120 -16.808 48.688 8.208 1.00 12.14 C ATOM 1663 C ILE A 120 -17.756 49.270 7.154 1.00 23.44 C ATOM 1664 O ILE A 120 -17.942 48.669 6.096 1.00 42.24 O ATOM 1665 CB ILE A 120 -15.344 49.168 8.015 1.00 54.11 C ATOM 1666 CG1 ILE A 120 -14.348 48.435 8.949 1.00 1.21 C ATOM 1667 CG2 ILE A 120 -15.214 50.685 8.262 1.00 33.33 C ATOM 1668 CD1 ILE A 120 -13.653 47.233 8.294 1.00 73.00 C ATOM 0 H ILE A 120 -16.600 46.883 7.183 1.00 43.40 H new ATOM 0 HA ILE A 120 -17.116 49.031 9.196 1.00 12.14 H new ATOM 0 HB ILE A 120 -15.092 48.933 6.981 1.00 54.11 H new ATOM 0 HG12 ILE A 120 -13.590 49.143 9.283 1.00 1.21 H new ATOM 0 HG13 ILE A 120 -14.880 48.095 9.837 1.00 1.21 H new ATOM 0 HG21 ILE A 120 -14.177 50.989 8.119 1.00 33.33 H new ATOM 0 HG22 ILE A 120 -15.850 51.224 7.560 1.00 33.33 H new ATOM 0 HG23 ILE A 120 -15.522 50.915 9.282 1.00 33.33 H new ATOM 0 HD11 ILE A 120 -12.972 46.772 9.009 1.00 73.00 H new ATOM 0 HD12 ILE A 120 -14.402 46.504 7.985 1.00 73.00 H new ATOM 0 HD13 ILE A 120 -13.091 47.568 7.422 1.00 73.00 H new ATOM 1679 N SER A 121 -18.321 50.449 7.418 1.00 32.35 N ATOM 1680 CA SER A 121 -19.034 51.259 6.445 1.00 41.24 C ATOM 1681 C SER A 121 -18.717 52.712 6.800 1.00 73.01 C ATOM 1682 O SER A 121 -19.044 53.158 7.899 1.00 2.13 O ATOM 1683 CB SER A 121 -20.534 50.941 6.501 1.00 71.01 C ATOM 1684 OG SER A 121 -21.183 51.361 5.318 1.00 43.20 O ATOM 0 H SER A 121 -18.291 50.874 8.345 1.00 32.35 H new ATOM 0 HA SER A 121 -18.728 51.056 5.419 1.00 41.24 H new ATOM 0 HB2 SER A 121 -20.678 49.869 6.639 1.00 71.01 H new ATOM 0 HB3 SER A 121 -20.983 51.436 7.362 1.00 71.01 H new ATOM 0 HG SER A 121 -22.138 51.147 5.375 1.00 43.20 H new ATOM 1689 N ALA A 122 -17.986 53.408 5.929 1.00 62.21 N ATOM 1690 CA ALA A 122 -17.661 54.828 5.991 1.00 54.50 C ATOM 1691 C ALA A 122 -17.174 55.238 4.594 1.00 2.32 C ATOM 1692 O ALA A 122 -16.973 54.369 3.744 1.00 34.33 O ATOM 1693 CB ALA A 122 -16.562 55.083 7.035 1.00 32.21 C ATOM 0 H ALA A 122 -17.579 52.962 5.107 1.00 62.21 H new ATOM 0 HA ALA A 122 -18.533 55.411 6.286 1.00 54.50 H new ATOM 0 HB1 ALA A 122 -16.332 56.148 7.068 1.00 32.21 H new ATOM 0 HB2 ALA A 122 -16.909 54.756 8.015 1.00 32.21 H new ATOM 0 HB3 ALA A 122 -15.665 54.526 6.763 1.00 32.21 H new ATOM 1699 N ALA A 123 -16.937 56.533 4.369 1.00 51.13 N ATOM 1700 CA ALA A 123 -16.177 57.008 3.219 1.00 74.22 C ATOM 1701 C ALA A 123 -15.402 58.264 3.624 1.00 60.22 C ATOM 1702 O ALA A 123 -14.258 58.164 4.056 1.00 23.15 O ATOM 1703 CB ALA A 123 -17.108 57.241 2.015 1.00 3.55 C ATOM 0 H ALA A 123 -17.268 57.279 4.981 1.00 51.13 H new ATOM 0 HA ALA A 123 -15.455 56.255 2.903 1.00 74.22 H new ATOM 0 HB1 ALA A 123 -16.523 57.595 1.166 1.00 3.55 H new ATOM 0 HB2 ALA A 123 -17.602 56.306 1.751 1.00 3.55 H new ATOM 0 HB3 ALA A 123 -17.859 57.987 2.275 1.00 3.55 H new ATOM 1709 N SER A 124 -16.022 59.440 3.546 1.00 14.52 N ATOM 1710 CA SER A 124 -15.511 60.747 3.949 1.00 44.52 C ATOM 1711 C SER A 124 -16.693 61.726 3.906 1.00 51.24 C ATOM 1712 O SER A 124 -17.777 61.363 3.446 1.00 63.22 O ATOM 1713 CB SER A 124 -14.403 61.203 2.984 1.00 71.24 C ATOM 1714 OG SER A 124 -13.214 60.469 3.188 1.00 24.11 O ATOM 0 H SER A 124 -16.968 59.508 3.170 1.00 14.52 H new ATOM 0 HA SER A 124 -15.081 60.705 4.950 1.00 44.52 H new ATOM 0 HB2 SER A 124 -14.739 61.077 1.955 1.00 71.24 H new ATOM 0 HB3 SER A 124 -14.207 62.266 3.128 1.00 71.24 H new ATOM 0 HG SER A 124 -13.394 59.714 3.786 1.00 24.11 H new ATOM 1719 N VAL A 125 -16.493 62.963 4.358 1.00 34.03 N ATOM 1720 CA VAL A 125 -17.434 64.063 4.213 1.00 42.50 C ATOM 1721 C VAL A 125 -16.593 65.343 4.129 1.00 2.34 C ATOM 1722 O VAL A 125 -15.431 65.346 4.540 1.00 34.03 O ATOM 1723 CB VAL A 125 -18.456 64.026 5.377 1.00 52.54 C ATOM 1724 CG1 VAL A 125 -17.819 64.224 6.763 1.00 44.32 C ATOM 1725 CG2 VAL A 125 -19.601 65.031 5.188 1.00 1.42 C ATOM 0 H VAL A 125 -15.642 63.232 4.851 1.00 34.03 H new ATOM 0 HA VAL A 125 -18.041 64.001 3.310 1.00 42.50 H new ATOM 0 HB VAL A 125 -18.866 63.017 5.344 1.00 52.54 H new ATOM 0 HG11 VAL A 125 -18.594 64.186 7.528 1.00 44.32 H new ATOM 0 HG12 VAL A 125 -17.091 63.434 6.945 1.00 44.32 H new ATOM 0 HG13 VAL A 125 -17.320 65.193 6.799 1.00 44.32 H new ATOM 0 HG21 VAL A 125 -20.288 64.963 6.032 1.00 1.42 H new ATOM 0 HG22 VAL A 125 -19.194 66.040 5.132 1.00 1.42 H new ATOM 0 HG23 VAL A 125 -20.136 64.804 4.266 1.00 1.42 H new ATOM 1735 N ALA A 126 -17.164 66.419 3.595 1.00 0.25 N ATOM 1736 CA ALA A 126 -16.603 67.761 3.589 1.00 43.52 C ATOM 1737 C ALA A 126 -17.766 68.753 3.625 1.00 41.23 C ATOM 1738 O ALA A 126 -18.928 68.367 3.481 1.00 15.13 O ATOM 1739 CB ALA A 126 -15.738 67.965 2.336 1.00 31.22 C ATOM 0 H ALA A 126 -18.073 66.374 3.134 1.00 0.25 H new ATOM 0 HA ALA A 126 -15.961 67.916 4.456 1.00 43.52 H new ATOM 0 HB1 ALA A 126 -15.323 68.973 2.341 1.00 31.22 H new ATOM 0 HB2 ALA A 126 -14.926 67.238 2.332 1.00 31.22 H new ATOM 0 HB3 ALA A 126 -16.351 67.829 1.445 1.00 31.22 H new ATOM 1745 N SER A 127 -17.465 70.038 3.796 1.00 40.14 N ATOM 1746 CA SER A 127 -18.450 71.123 3.753 1.00 43.21 C ATOM 1747 C SER A 127 -17.820 72.399 3.177 1.00 34.23 C ATOM 1748 O SER A 127 -18.285 73.506 3.430 1.00 60.04 O ATOM 1749 CB SER A 127 -19.034 71.346 5.157 1.00 35.15 C ATOM 1750 OG SER A 127 -19.471 70.122 5.724 1.00 31.03 O ATOM 0 H SER A 127 -16.514 70.363 3.972 1.00 40.14 H new ATOM 0 HA SER A 127 -19.270 70.847 3.090 1.00 43.21 H new ATOM 0 HB2 SER A 127 -18.281 71.801 5.800 1.00 35.15 H new ATOM 0 HB3 SER A 127 -19.869 72.044 5.101 1.00 35.15 H new ATOM 0 HG SER A 127 -19.837 70.288 6.618 1.00 31.03 H new ATOM 1755 N THR A 128 -16.721 72.250 2.439 1.00 24.02 N ATOM 1756 CA THR A 128 -15.773 73.304 2.135 1.00 73.24 C ATOM 1757 C THR A 128 -15.496 73.262 0.634 1.00 60.10 C ATOM 1758 O THR A 128 -14.831 72.335 0.170 1.00 64.02 O ATOM 1759 CB THR A 128 -14.506 73.066 2.980 1.00 62.11 C ATOM 1760 OG1 THR A 128 -14.146 71.693 2.943 1.00 32.45 O ATOM 1761 CG2 THR A 128 -14.718 73.453 4.447 1.00 14.24 C ATOM 0 H THR A 128 -16.463 71.355 2.024 1.00 24.02 H new ATOM 0 HA THR A 128 -16.154 74.295 2.381 1.00 73.24 H new ATOM 0 HB THR A 128 -13.720 73.689 2.554 1.00 62.11 H new ATOM 0 HG1 THR A 128 -14.259 71.350 2.032 1.00 32.45 H new ATOM 0 HG21 THR A 128 -13.801 73.270 5.008 1.00 14.24 H new ATOM 0 HG22 THR A 128 -14.977 74.510 4.511 1.00 14.24 H new ATOM 0 HG23 THR A 128 -15.526 72.855 4.868 1.00 14.24 H new ATOM 1769 N ALA A 129 -16.029 74.225 -0.117 1.00 32.22 N ATOM 1770 CA ALA A 129 -15.788 74.401 -1.539 1.00 63.24 C ATOM 1771 C ALA A 129 -15.503 75.886 -1.740 1.00 20.14 C ATOM 1772 O ALA A 129 -16.399 76.707 -1.554 1.00 22.24 O ATOM 1773 CB ALA A 129 -16.999 73.925 -2.349 1.00 35.44 C ATOM 0 H ALA A 129 -16.662 74.926 0.267 1.00 32.22 H new ATOM 0 HA ALA A 129 -14.944 73.806 -1.888 1.00 63.24 H new ATOM 0 HB1 ALA A 129 -16.803 74.063 -3.412 1.00 35.44 H new ATOM 0 HB2 ALA A 129 -17.179 72.869 -2.148 1.00 35.44 H new ATOM 0 HB3 ALA A 129 -17.878 74.504 -2.064 1.00 35.44 H new ATOM 1779 N ILE A 130 -14.249 76.223 -2.019 1.00 43.10 N ATOM 1780 CA ILE A 130 -13.753 77.570 -2.272 1.00 64.21 C ATOM 1781 C ILE A 130 -12.482 77.408 -3.120 1.00 63.20 C ATOM 1782 O ILE A 130 -11.956 76.293 -3.221 1.00 13.52 O ATOM 1783 CB ILE A 130 -13.541 78.306 -0.918 1.00 72.22 C ATOM 1784 CG1 ILE A 130 -13.141 79.793 -1.037 1.00 61.04 C ATOM 1785 CG2 ILE A 130 -12.527 77.591 -0.004 1.00 24.34 C ATOM 1786 CD1 ILE A 130 -14.123 80.637 -1.857 1.00 72.12 C ATOM 0 H ILE A 130 -13.509 75.523 -2.078 1.00 43.10 H new ATOM 0 HA ILE A 130 -14.454 78.196 -2.825 1.00 64.21 H new ATOM 0 HB ILE A 130 -14.533 78.273 -0.468 1.00 72.22 H new ATOM 0 HG12 ILE A 130 -13.059 80.218 -0.037 1.00 61.04 H new ATOM 0 HG13 ILE A 130 -12.153 79.858 -1.493 1.00 61.04 H new ATOM 0 HG21 ILE A 130 -12.419 78.149 0.926 1.00 24.34 H new ATOM 0 HG22 ILE A 130 -12.882 76.584 0.216 1.00 24.34 H new ATOM 0 HG23 ILE A 130 -11.562 77.533 -0.507 1.00 24.34 H new ATOM 0 HD11 ILE A 130 -13.773 81.669 -1.894 1.00 72.12 H new ATOM 0 HD12 ILE A 130 -14.188 80.239 -2.870 1.00 72.12 H new ATOM 0 HD13 ILE A 130 -15.108 80.605 -1.391 1.00 72.12 H new ATOM 1797 N ALA A 131 -11.999 78.491 -3.722 1.00 3.52 N ATOM 1798 CA ALA A 131 -10.700 78.640 -4.349 1.00 63.14 C ATOM 1799 C ALA A 131 -10.268 80.077 -4.072 1.00 2.31 C ATOM 1800 O ALA A 131 -9.047 80.318 -4.101 1.00 51.52 O ATOM 1801 CB ALA A 131 -10.789 78.374 -5.855 1.00 71.34 C ATOM 0 H ALA A 131 -12.550 79.347 -3.786 1.00 3.52 H new ATOM 0 HA ALA A 131 -9.979 77.925 -3.952 1.00 63.14 H new ATOM 0 HB1 ALA A 131 -9.803 78.492 -6.304 1.00 71.34 H new ATOM 0 HB2 ALA A 131 -11.146 77.358 -6.025 1.00 71.34 H new ATOM 0 HB3 ALA A 131 -11.481 79.083 -6.309 1.00 71.34 H new TER 1807 ALA A 131