USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1027 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: B 46 ASN : amide:sc= -2.43! C(o=-2.4!,f=-2.8!) USER MOD Set 1.2: B 48 GLN : amide:sc=-0.00998 X(o=-2.4,f=-2.8) USER MOD Set 2.1: A 66 MET CE :methyl -144:sc= -5.06! (180deg=-9.85!) USER MOD Set 2.2: B 30 SER OG : rot 148:sc= -0.339 USER MOD Set 3.1: A 16 GLN : amide:sc= -2.51 K(o=-2,f=-7!) USER MOD Set 3.2: A 56 SER OG : rot 174:sc= 0.458 USER MOD Set 4.1: A 46 ASN : amide:sc= -2.74! C(o=-2.7!,f=-3!) USER MOD Set 4.2: A 48 GLN : amide:sc= 0 X(o=-2.7,f=-3) USER MOD Set 5.1: A 30 SER OG : rot 104:sc= 0.809 USER MOD Set 5.2: B 66 MET CE :methyl -148:sc= -3.68! (180deg=-9.2!) USER MOD Set 6.1: A 24 GLN : amide:sc= 0.0394 X(o=0.039,f=-0.013) USER MOD Set 6.2: B 29 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0389) USER MOD Set 7.1: A 14 THR OG1 : rot 151:sc= 0.00455 USER MOD Set 7.2: A 53 ASN : amide:sc= -2.77! X(o=-2.8!,f=-2.9) USER MOD Single : A 10 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.013) USER MOD Single : A 13 GLN : amide:sc= -0.0969 X(o=-0.097,f=-0.33) USER MOD Single : A 19 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0202) USER MOD Single : A 22 ASN : amide:sc= -2.75! C(o=-2.7!,f=-4.3!) USER MOD Single : A 25 SER OG : rot 180:sc= -1.1 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.591) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -4.99! C(o=-5!,f=-5.6!) USER MOD Single : A 37 GLN : amide:sc= -2.55 K(o=-2.6,f=-12!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0.143 (180deg=0.0805) USER MOD Single : A 58 MET CE :methyl -170:sc= -0.17 (180deg=-0.453) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.2!) USER MOD Single : B 10 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 13 GLN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -0.519 K(o=-0.52,f=-1.1) USER MOD Single : B 24 GLN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : B 25 SER OG : rot 169:sc= -1.8 USER MOD Single : B 27 LYS NZ :NH3+ -109:sc= -0.108 (180deg=-2.09!) USER MOD Single : B 34 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-5.6!) USER MOD Single : B 37 GLN : amide:sc=-0.000642 K(o=-0.00064,f=-1.4) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -163:sc= 1.11 (180deg=1.04) USER MOD Single : B 53 ASN :FLIP amide:sc= -2.14 F(o=-4.3!,f=-2.1) USER MOD Single : B 56 SER OG : rot 160:sc= -0.0874 USER MOD Single : B 58 MET CE :methyl -169:sc= -0.883 (180deg=-1.31) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -3.708 -16.013 -10.617 1.00 0.00 N ATOM 50 CA ARG A 8 -3.360 -16.404 -9.261 1.00 0.00 C ATOM 51 C ARG A 8 -2.737 -15.225 -8.512 1.00 0.00 C ATOM 52 O ARG A 8 -3.132 -14.077 -8.714 1.00 0.00 O ATOM 53 CB ARG A 8 -2.378 -17.577 -9.261 1.00 0.00 C ATOM 54 CG ARG A 8 -2.765 -18.616 -10.314 1.00 0.00 C ATOM 55 CD ARG A 8 -2.130 -19.974 -10.004 1.00 0.00 C ATOM 56 NE ARG A 8 -3.016 -21.065 -10.469 1.00 0.00 N ATOM 57 CZ ARG A 8 -2.935 -22.332 -10.041 1.00 0.00 C ATOM 58 NH1 ARG A 8 -2.008 -22.676 -9.136 1.00 0.00 N ATOM 59 NH2 ARG A 8 -3.781 -23.255 -10.517 1.00 0.00 N ATOM 0 HA ARG A 8 -4.277 -16.713 -8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.370 -17.212 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.361 -18.042 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.850 -18.717 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.445 -18.277 -11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.158 -20.050 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.956 -20.067 -8.932 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.733 -20.838 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.364 -21.973 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.947 -23.641 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.487 -22.993 -11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.719 -24.220 -10.191 1.00 0.00 H new ATOM 73 N CYS A 9 -1.773 -15.548 -7.663 1.00 0.00 N ATOM 74 CA CYS A 9 -1.090 -14.529 -6.882 1.00 0.00 C ATOM 75 C CYS A 9 -0.196 -13.721 -7.824 1.00 0.00 C ATOM 76 O CYS A 9 0.176 -14.199 -8.895 1.00 0.00 O ATOM 77 CB CYS A 9 -0.297 -15.140 -5.726 1.00 0.00 C ATOM 78 SG CYS A 9 -1.285 -16.160 -4.571 1.00 0.00 S ATOM 0 H CYS A 9 -1.448 -16.501 -7.498 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.823 -13.867 -6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.503 -15.755 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.177 -14.335 -5.164 1.00 0.00 H new ATOM 83 N GLN A 10 0.125 -12.511 -7.391 1.00 0.00 N ATOM 84 CA GLN A 10 0.969 -11.632 -8.183 1.00 0.00 C ATOM 85 C GLN A 10 2.436 -11.803 -7.783 1.00 0.00 C ATOM 86 O GLN A 10 3.325 -11.229 -8.410 1.00 0.00 O ATOM 87 CB GLN A 10 0.528 -10.174 -8.040 1.00 0.00 C ATOM 88 CG GLN A 10 1.244 -9.283 -9.057 1.00 0.00 C ATOM 89 CD GLN A 10 2.026 -8.170 -8.356 1.00 0.00 C ATOM 90 OE1 GLN A 10 3.219 -7.998 -8.548 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.290 -7.425 -7.536 1.00 0.00 N ATOM 0 H GLN A 10 -0.184 -12.118 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 10 0.864 -11.908 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.550 -10.101 -8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.741 -9.823 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.923 -9.886 -9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.515 -8.846 -9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.296 -7.623 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.720 -6.656 -7.022 1.00 0.00 H new ATOM 100 N CYS A 11 2.643 -12.595 -6.741 1.00 0.00 N ATOM 101 CA CYS A 11 3.987 -12.849 -6.250 1.00 0.00 C ATOM 102 C CYS A 11 4.046 -14.288 -5.734 1.00 0.00 C ATOM 103 O CYS A 11 3.208 -14.698 -4.932 1.00 0.00 O ATOM 104 CB CYS A 11 4.397 -11.840 -5.176 1.00 0.00 C ATOM 105 SG CYS A 11 5.983 -10.983 -5.493 1.00 0.00 S ATOM 0 H CYS A 11 1.903 -13.069 -6.223 1.00 0.00 H new ATOM 0 HA CYS A 11 4.703 -12.726 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.609 -11.093 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.465 -12.357 -4.219 1.00 0.00 H new ATOM 110 N LEU A 12 5.044 -15.016 -6.214 1.00 0.00 N ATOM 111 CA LEU A 12 5.223 -16.400 -5.811 1.00 0.00 C ATOM 112 C LEU A 12 6.153 -16.457 -4.598 1.00 0.00 C ATOM 113 O LEU A 12 6.148 -17.436 -3.853 1.00 0.00 O ATOM 114 CB LEU A 12 5.702 -17.245 -6.993 1.00 0.00 C ATOM 115 CG LEU A 12 4.992 -16.997 -8.326 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.899 -17.353 -9.505 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.658 -17.745 -8.384 1.00 0.00 C ATOM 0 H LEU A 12 5.737 -14.673 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 12 4.271 -16.833 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.768 -17.067 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.586 -18.297 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 12 4.769 -15.933 -8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.370 -17.168 -10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.799 -16.740 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.175 -18.406 -9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.174 -17.552 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.836 -18.815 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.013 -17.402 -7.575 1.00 0.00 H new ATOM 129 N GLN A 13 6.929 -15.395 -4.436 1.00 0.00 N ATOM 130 CA GLN A 13 7.862 -15.312 -3.326 1.00 0.00 C ATOM 131 C GLN A 13 7.680 -13.990 -2.577 1.00 0.00 C ATOM 132 O GLN A 13 6.938 -13.117 -3.023 1.00 0.00 O ATOM 133 CB GLN A 13 9.305 -15.475 -3.809 1.00 0.00 C ATOM 134 CG GLN A 13 10.091 -16.406 -2.884 1.00 0.00 C ATOM 135 CD GLN A 13 9.675 -17.864 -3.092 1.00 0.00 C ATOM 136 OE1 GLN A 13 8.815 -18.395 -2.410 1.00 0.00 O ATOM 137 NE2 GLN A 13 10.333 -18.480 -4.071 1.00 0.00 N ATOM 0 H GLN A 13 6.930 -14.585 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 13 7.650 -16.129 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.310 -15.875 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.791 -14.500 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.159 -16.298 -3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.922 -16.120 -1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.042 -17.977 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.128 -19.455 -4.288 1.00 0.00 H new ATOM 146 N THR A 14 8.371 -13.885 -1.452 1.00 0.00 N ATOM 147 CA THR A 14 8.296 -12.684 -0.637 1.00 0.00 C ATOM 148 C THR A 14 9.524 -12.575 0.268 1.00 0.00 C ATOM 149 O THR A 14 10.261 -13.545 0.440 1.00 0.00 O ATOM 150 CB THR A 14 6.974 -12.718 0.134 1.00 0.00 C ATOM 151 OG1 THR A 14 6.823 -14.087 0.502 1.00 0.00 O ATOM 152 CG2 THR A 14 5.766 -12.437 -0.762 1.00 0.00 C ATOM 0 H THR A 14 8.986 -14.612 -1.085 1.00 0.00 H new ATOM 0 HA THR A 14 8.306 -11.786 -1.255 1.00 0.00 H new ATOM 0 HB THR A 14 7.005 -11.986 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.312 -14.147 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.854 -12.473 -0.166 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.868 -11.449 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.714 -13.189 -1.549 1.00 0.00 H new ATOM 160 N LEU A 15 9.708 -11.385 0.822 1.00 0.00 N ATOM 161 CA LEU A 15 10.835 -11.137 1.705 1.00 0.00 C ATOM 162 C LEU A 15 10.389 -11.320 3.157 1.00 0.00 C ATOM 163 O LEU A 15 9.207 -11.530 3.426 1.00 0.00 O ATOM 164 CB LEU A 15 11.448 -9.765 1.418 1.00 0.00 C ATOM 165 CG LEU A 15 12.120 -9.603 0.054 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.025 -8.156 -0.436 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.566 -10.101 0.092 1.00 0.00 C ATOM 0 H LEU A 15 9.096 -10.582 0.676 1.00 0.00 H new ATOM 0 HA LEU A 15 11.630 -11.860 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.664 -9.013 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.185 -9.549 2.192 1.00 0.00 H new ATOM 0 HG LEU A 15 11.585 -10.223 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.511 -8.068 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.977 -7.871 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.520 -7.497 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.020 -9.974 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.129 -9.528 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.580 -11.156 0.365 1.00 0.00 H new ATOM 179 N GLN A 16 11.360 -11.234 4.056 1.00 0.00 N ATOM 180 CA GLN A 16 11.082 -11.388 5.474 1.00 0.00 C ATOM 181 C GLN A 16 11.164 -10.034 6.180 1.00 0.00 C ATOM 182 O GLN A 16 10.730 -9.898 7.323 1.00 0.00 O ATOM 183 CB GLN A 16 12.037 -12.399 6.113 1.00 0.00 C ATOM 184 CG GLN A 16 12.079 -12.228 7.633 1.00 0.00 C ATOM 185 CD GLN A 16 10.706 -12.498 8.252 1.00 0.00 C ATOM 186 OE1 GLN A 16 9.754 -12.862 7.581 1.00 0.00 O ATOM 187 NE2 GLN A 16 10.657 -12.300 9.566 1.00 0.00 N ATOM 0 H GLN A 16 12.339 -11.060 3.830 1.00 0.00 H new ATOM 0 HA GLN A 16 10.069 -11.774 5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.719 -13.412 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.038 -12.270 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.815 -12.910 8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.401 -11.216 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.491 -11.995 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.785 -12.453 10.073 1.00 0.00 H new ATOM 196 N GLY A 17 11.724 -9.065 5.471 1.00 0.00 N ATOM 197 CA GLY A 17 11.869 -7.726 6.016 1.00 0.00 C ATOM 198 C GLY A 17 13.149 -7.061 5.506 1.00 0.00 C ATOM 199 O GLY A 17 14.224 -7.264 6.068 1.00 0.00 O ATOM 0 H GLY A 17 12.083 -9.181 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.006 -7.121 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.889 -7.773 7.105 1.00 0.00 H new ATOM 203 N ILE A 18 12.992 -6.281 4.447 1.00 0.00 N ATOM 204 CA ILE A 18 14.122 -5.586 3.855 1.00 0.00 C ATOM 205 C ILE A 18 14.294 -4.227 4.538 1.00 0.00 C ATOM 206 O ILE A 18 13.375 -3.736 5.191 1.00 0.00 O ATOM 207 CB ILE A 18 13.959 -5.494 2.336 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.405 -6.791 1.658 1.00 0.00 C ATOM 209 CG2 ILE A 18 14.694 -4.274 1.779 1.00 0.00 C ATOM 210 CD1 ILE A 18 15.917 -6.796 1.423 1.00 0.00 C ATOM 0 H ILE A 18 12.099 -6.115 3.983 1.00 0.00 H new ATOM 0 HA ILE A 18 15.042 -6.146 4.020 1.00 0.00 H new ATOM 0 HB ILE A 18 12.900 -5.361 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.127 -7.644 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.885 -6.905 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.562 -4.232 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.289 -3.368 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.756 -4.351 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.207 -7.729 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.189 -5.956 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.434 -6.706 2.378 1.00 0.00 H new ATOM 222 N HIS A 19 15.478 -3.659 4.364 1.00 0.00 N ATOM 223 CA HIS A 19 15.782 -2.367 4.955 1.00 0.00 C ATOM 224 C HIS A 19 14.775 -1.327 4.461 1.00 0.00 C ATOM 225 O HIS A 19 14.415 -1.315 3.285 1.00 0.00 O ATOM 226 CB HIS A 19 17.233 -1.969 4.674 1.00 0.00 C ATOM 227 CG HIS A 19 17.962 -1.419 5.876 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.327 -1.185 5.882 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.504 -1.057 7.108 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.663 -0.706 7.071 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.532 -0.628 7.829 1.00 0.00 N ATOM 0 H HIS A 19 16.238 -4.070 3.822 1.00 0.00 H new ATOM 0 HA HIS A 19 15.687 -2.427 6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.772 -2.840 4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.247 -1.222 3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.478 -1.110 7.441 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.658 -0.426 7.385 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.484 -0.295 8.792 1.00 0.00 H new ATOM 239 N LEU A 20 14.349 -0.477 5.384 1.00 0.00 N ATOM 240 CA LEU A 20 13.391 0.565 5.058 1.00 0.00 C ATOM 241 C LEU A 20 14.130 1.759 4.451 1.00 0.00 C ATOM 242 O LEU A 20 13.530 2.804 4.201 1.00 0.00 O ATOM 243 CB LEU A 20 12.548 0.921 6.284 1.00 0.00 C ATOM 244 CG LEU A 20 11.363 1.856 6.034 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.196 1.102 5.392 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.945 2.568 7.322 1.00 0.00 C ATOM 0 H LEU A 20 14.650 -0.489 6.358 1.00 0.00 H new ATOM 0 HA LEU A 20 12.685 0.212 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.170 -0.003 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.199 1.382 7.027 1.00 0.00 H new ATOM 0 HG LEU A 20 11.678 2.625 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.367 1.789 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.516 0.680 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.874 0.299 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.101 3.226 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.655 1.829 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.781 3.157 7.700 1.00 0.00 H new ATOM 258 N LYS A 21 15.422 1.566 4.232 1.00 0.00 N ATOM 259 CA LYS A 21 16.249 2.614 3.659 1.00 0.00 C ATOM 260 C LYS A 21 16.321 2.430 2.142 1.00 0.00 C ATOM 261 O LYS A 21 16.697 3.351 1.419 1.00 0.00 O ATOM 262 CB LYS A 21 17.619 2.648 4.340 1.00 0.00 C ATOM 263 CG LYS A 21 18.668 3.290 3.430 1.00 0.00 C ATOM 264 CD LYS A 21 18.419 4.793 3.282 1.00 0.00 C ATOM 265 CE LYS A 21 19.737 5.555 3.135 1.00 0.00 C ATOM 266 NZ LYS A 21 20.410 5.685 4.447 1.00 0.00 N ATOM 0 H LYS A 21 15.917 0.699 4.441 1.00 0.00 H new ATOM 0 HA LYS A 21 15.804 3.592 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.551 3.207 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.927 1.634 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.663 3.121 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.643 2.815 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.789 4.977 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.876 5.163 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.390 5.033 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.548 6.544 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 21.220 6.331 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.739 6.064 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.744 4.751 4.760 1.00 0.00 H new ATOM 280 N ASN A 22 15.953 1.235 1.705 1.00 0.00 N ATOM 281 CA ASN A 22 15.971 0.919 0.287 1.00 0.00 C ATOM 282 C ASN A 22 14.565 1.101 -0.289 1.00 0.00 C ATOM 283 O ASN A 22 14.404 1.644 -1.382 1.00 0.00 O ATOM 284 CB ASN A 22 16.393 -0.533 0.052 1.00 0.00 C ATOM 285 CG ASN A 22 17.749 -0.602 -0.655 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.019 0.113 -1.606 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.583 -1.500 -0.138 1.00 0.00 N ATOM 0 H ASN A 22 15.641 0.474 2.308 1.00 0.00 H new ATOM 0 HA ASN A 22 16.684 1.585 -0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.449 -1.058 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.639 -1.042 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.513 -1.622 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.293 -2.066 0.659 1.00 0.00 H new ATOM 294 N ILE A 23 13.584 0.638 0.471 1.00 0.00 N ATOM 295 CA ILE A 23 12.197 0.744 0.049 1.00 0.00 C ATOM 296 C ILE A 23 11.842 2.218 -0.156 1.00 0.00 C ATOM 297 O ILE A 23 12.140 3.056 0.694 1.00 0.00 O ATOM 298 CB ILE A 23 11.280 0.022 1.038 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.080 -1.440 0.634 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.949 0.761 1.192 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.421 -2.381 1.791 1.00 0.00 C ATOM 0 H ILE A 23 13.721 0.189 1.376 1.00 0.00 H new ATOM 0 HA ILE A 23 12.051 0.245 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 23 11.764 0.023 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.047 -1.597 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.708 -1.673 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.316 0.227 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.134 1.770 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.448 0.813 0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.270 -3.414 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.462 -2.238 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.774 -2.162 2.641 1.00 0.00 H new ATOM 313 N GLN A 24 11.210 2.489 -1.288 1.00 0.00 N ATOM 314 CA GLN A 24 10.811 3.848 -1.616 1.00 0.00 C ATOM 315 C GLN A 24 9.286 3.967 -1.615 1.00 0.00 C ATOM 316 O GLN A 24 8.745 5.055 -1.421 1.00 0.00 O ATOM 317 CB GLN A 24 11.395 4.281 -2.962 1.00 0.00 C ATOM 318 CG GLN A 24 11.843 5.744 -2.919 1.00 0.00 C ATOM 319 CD GLN A 24 11.216 6.543 -4.063 1.00 0.00 C ATOM 320 OE1 GLN A 24 11.893 7.083 -4.922 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.887 6.588 -4.026 1.00 0.00 N ATOM 0 H GLN A 24 10.964 1.791 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 24 11.209 4.518 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.242 3.645 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.649 4.148 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.560 6.187 -1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.930 5.797 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.381 6.113 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.374 7.097 -4.746 1.00 0.00 H new ATOM 330 N SER A 25 8.635 2.834 -1.834 1.00 0.00 N ATOM 331 CA SER A 25 7.183 2.798 -1.861 1.00 0.00 C ATOM 332 C SER A 25 6.684 1.431 -1.389 1.00 0.00 C ATOM 333 O SER A 25 7.437 0.459 -1.386 1.00 0.00 O ATOM 334 CB SER A 25 6.651 3.102 -3.263 1.00 0.00 C ATOM 335 OG SER A 25 7.642 3.702 -4.093 1.00 0.00 O ATOM 0 H SER A 25 9.087 1.934 -1.994 1.00 0.00 H new ATOM 0 HA SER A 25 6.809 3.567 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.301 2.179 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.791 3.767 -3.188 1.00 0.00 H new ATOM 0 HG SER A 25 7.263 3.879 -4.979 1.00 0.00 H new ATOM 341 N VAL A 26 5.418 1.401 -1.001 1.00 0.00 N ATOM 342 CA VAL A 26 4.809 0.169 -0.528 1.00 0.00 C ATOM 343 C VAL A 26 3.486 -0.056 -1.261 1.00 0.00 C ATOM 344 O VAL A 26 2.671 0.858 -1.374 1.00 0.00 O ATOM 345 CB VAL A 26 4.649 0.216 0.993 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.689 -0.873 1.477 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.006 0.100 1.691 1.00 0.00 C ATOM 0 H VAL A 26 4.797 2.210 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 26 5.451 -0.684 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 26 4.219 1.183 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.593 -0.818 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.711 -0.726 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.078 -1.852 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.864 0.136 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.476 -0.845 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.646 0.926 1.381 1.00 0.00 H new ATOM 357 N LYS A 27 3.313 -1.279 -1.742 1.00 0.00 N ATOM 358 CA LYS A 27 2.102 -1.636 -2.462 1.00 0.00 C ATOM 359 C LYS A 27 1.438 -2.830 -1.773 1.00 0.00 C ATOM 360 O LYS A 27 2.051 -3.886 -1.625 1.00 0.00 O ATOM 361 CB LYS A 27 2.409 -1.872 -3.942 1.00 0.00 C ATOM 362 CG LYS A 27 1.147 -1.721 -4.794 1.00 0.00 C ATOM 363 CD LYS A 27 0.037 -2.650 -4.300 1.00 0.00 C ATOM 364 CE LYS A 27 -0.916 -3.019 -5.438 1.00 0.00 C ATOM 365 NZ LYS A 27 -1.196 -1.837 -6.284 1.00 0.00 N ATOM 0 H LYS A 27 3.991 -2.035 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 27 1.386 -0.814 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.166 -1.163 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.826 -2.870 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.803 -0.687 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.378 -1.946 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.476 -3.555 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.519 -2.164 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.478 -3.812 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.848 -3.409 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.106 -1.966 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.240 -0.986 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.439 -1.727 -6.988 1.00 0.00 H new ATOM 379 N VAL A 28 0.193 -2.622 -1.370 1.00 0.00 N ATOM 380 CA VAL A 28 -0.561 -3.668 -0.701 1.00 0.00 C ATOM 381 C VAL A 28 -1.699 -4.133 -1.612 1.00 0.00 C ATOM 382 O VAL A 28 -2.611 -3.365 -1.914 1.00 0.00 O ATOM 383 CB VAL A 28 -1.051 -3.171 0.661 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.037 -4.162 1.284 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.125 -2.903 1.601 1.00 0.00 C ATOM 0 H VAL A 28 -0.312 -1.745 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 28 0.075 -4.532 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.577 -2.229 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.370 -3.785 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.897 -4.282 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.547 -5.126 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.250 -2.551 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.691 -3.823 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.774 -2.144 1.165 1.00 0.00 H new ATOM 395 N LYS A 29 -1.608 -5.389 -2.025 1.00 0.00 N ATOM 396 CA LYS A 29 -2.619 -5.965 -2.896 1.00 0.00 C ATOM 397 C LYS A 29 -3.198 -7.220 -2.238 1.00 0.00 C ATOM 398 O LYS A 29 -2.639 -8.308 -2.368 1.00 0.00 O ATOM 399 CB LYS A 29 -2.045 -6.213 -4.292 1.00 0.00 C ATOM 400 CG LYS A 29 -3.163 -6.436 -5.313 1.00 0.00 C ATOM 401 CD LYS A 29 -3.546 -7.915 -5.392 1.00 0.00 C ATOM 402 CE LYS A 29 -2.717 -8.641 -6.453 1.00 0.00 C ATOM 403 NZ LYS A 29 -3.600 -9.361 -7.397 1.00 0.00 N ATOM 0 H LYS A 29 -0.850 -6.024 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.445 -5.267 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.435 -5.362 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.389 -7.083 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.036 -5.845 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.840 -6.087 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.393 -8.386 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.606 -8.008 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.102 -7.924 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.037 -9.345 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.021 -9.848 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.169 -10.059 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.232 -8.682 -7.868 1.00 0.00 H new ATOM 417 N SER A 30 -4.310 -7.025 -1.544 1.00 0.00 N ATOM 418 CA SER A 30 -4.970 -8.127 -0.865 1.00 0.00 C ATOM 419 C SER A 30 -5.271 -9.250 -1.860 1.00 0.00 C ATOM 420 O SER A 30 -5.030 -9.104 -3.058 1.00 0.00 O ATOM 421 CB SER A 30 -6.259 -7.662 -0.185 1.00 0.00 C ATOM 422 OG SER A 30 -6.200 -7.813 1.231 1.00 0.00 O ATOM 0 H SER A 30 -4.770 -6.121 -1.437 1.00 0.00 H new ATOM 0 HA SER A 30 -4.299 -8.504 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.442 -6.616 -0.431 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.101 -8.233 -0.576 1.00 0.00 H new ATOM 0 HG SER A 30 -6.054 -6.938 1.647 1.00 0.00 H new ATOM 428 N PRO A 31 -5.807 -10.374 -1.314 1.00 0.00 N ATOM 429 CA PRO A 31 -6.144 -11.521 -2.140 1.00 0.00 C ATOM 430 C PRO A 31 -7.419 -11.262 -2.944 1.00 0.00 C ATOM 431 O PRO A 31 -8.024 -10.197 -2.830 1.00 0.00 O ATOM 432 CB PRO A 31 -6.280 -12.680 -1.167 1.00 0.00 C ATOM 433 CG PRO A 31 -6.474 -12.053 0.204 1.00 0.00 C ATOM 434 CD PRO A 31 -6.106 -10.582 0.100 1.00 0.00 C ATOM 0 HA PRO A 31 -5.384 -11.736 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.127 -13.313 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.392 -13.312 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.507 -12.166 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.848 -12.552 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.926 -9.944 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.246 -10.344 0.726 1.00 0.00 H new ATOM 442 N GLY A 32 -7.791 -12.254 -3.739 1.00 0.00 N ATOM 443 CA GLY A 32 -8.983 -12.148 -4.562 1.00 0.00 C ATOM 444 C GLY A 32 -9.613 -13.522 -4.797 1.00 0.00 C ATOM 445 O GLY A 32 -9.356 -14.463 -4.047 1.00 0.00 O ATOM 0 H GLY A 32 -7.287 -13.136 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.706 -11.491 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.729 -11.692 -5.519 1.00 0.00 H new ATOM 449 N PRO A 33 -10.447 -13.597 -5.868 1.00 0.00 N ATOM 450 CA PRO A 33 -11.115 -14.841 -6.211 1.00 0.00 C ATOM 451 C PRO A 33 -10.140 -15.828 -6.857 1.00 0.00 C ATOM 452 O PRO A 33 -10.527 -16.934 -7.230 1.00 0.00 O ATOM 453 CB PRO A 33 -12.250 -14.436 -7.137 1.00 0.00 C ATOM 454 CG PRO A 33 -11.897 -13.049 -7.648 1.00 0.00 C ATOM 455 CD PRO A 33 -10.775 -12.504 -6.779 1.00 0.00 C ATOM 0 HA PRO A 33 -11.500 -15.366 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.352 -15.142 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.202 -14.426 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.584 -13.095 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.767 -12.393 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.912 -12.217 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.093 -11.616 -6.233 1.00 0.00 H new ATOM 463 N HIS A 34 -8.894 -15.391 -6.970 1.00 0.00 N ATOM 464 CA HIS A 34 -7.861 -16.221 -7.564 1.00 0.00 C ATOM 465 C HIS A 34 -6.812 -16.570 -6.507 1.00 0.00 C ATOM 466 O HIS A 34 -6.513 -17.743 -6.287 1.00 0.00 O ATOM 467 CB HIS A 34 -7.259 -15.541 -8.796 1.00 0.00 C ATOM 468 CG HIS A 34 -7.282 -14.033 -8.737 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.455 -13.299 -8.778 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.266 -13.128 -8.639 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.146 -12.012 -8.709 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.789 -11.909 -8.623 1.00 0.00 N ATOM 0 H HIS A 34 -8.577 -14.472 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.298 -17.156 -7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.228 -15.874 -8.915 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.804 -15.868 -9.682 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.214 -13.364 -8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.846 -11.190 -8.719 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.263 -11.038 -8.557 1.00 0.00 H new ATOM 480 N CYS A 35 -6.281 -15.530 -5.880 1.00 0.00 N ATOM 481 CA CYS A 35 -5.271 -15.712 -4.851 1.00 0.00 C ATOM 482 C CYS A 35 -5.919 -15.449 -3.491 1.00 0.00 C ATOM 483 O CYS A 35 -6.389 -14.343 -3.227 1.00 0.00 O ATOM 484 CB CYS A 35 -4.055 -14.815 -5.088 1.00 0.00 C ATOM 485 SG CYS A 35 -2.726 -14.979 -3.841 1.00 0.00 S ATOM 0 H CYS A 35 -6.531 -14.559 -6.065 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.896 -16.735 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.641 -15.040 -6.071 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.386 -13.777 -5.111 1.00 0.00 H new ATOM 490 N ALA A 36 -5.924 -16.483 -2.663 1.00 0.00 N ATOM 491 CA ALA A 36 -6.506 -16.377 -1.336 1.00 0.00 C ATOM 492 C ALA A 36 -5.422 -15.963 -0.340 1.00 0.00 C ATOM 493 O ALA A 36 -5.541 -16.223 0.857 1.00 0.00 O ATOM 494 CB ALA A 36 -7.166 -17.706 -0.960 1.00 0.00 C ATOM 0 H ALA A 36 -5.534 -17.399 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.281 -15.611 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.603 -17.627 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.948 -17.941 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.418 -18.498 -0.966 1.00 0.00 H new ATOM 500 N GLN A 37 -4.389 -15.324 -0.869 1.00 0.00 N ATOM 501 CA GLN A 37 -3.285 -14.871 -0.041 1.00 0.00 C ATOM 502 C GLN A 37 -2.921 -13.425 -0.386 1.00 0.00 C ATOM 503 O GLN A 37 -3.185 -12.963 -1.495 1.00 0.00 O ATOM 504 CB GLN A 37 -2.072 -15.792 -0.192 1.00 0.00 C ATOM 505 CG GLN A 37 -2.504 -17.257 -0.281 1.00 0.00 C ATOM 506 CD GLN A 37 -2.569 -17.722 -1.737 1.00 0.00 C ATOM 507 OE1 GLN A 37 -3.465 -17.374 -2.488 1.00 0.00 O ATOM 508 NE2 GLN A 37 -1.571 -18.526 -2.093 1.00 0.00 N ATOM 0 H GLN A 37 -4.294 -15.109 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.600 -14.907 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.513 -15.519 -1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.401 -15.658 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.803 -17.881 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.480 -17.381 0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.853 -18.778 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.524 -18.890 -3.045 1.00 0.00 H new ATOM 517 N THR A 38 -2.321 -12.752 0.584 1.00 0.00 N ATOM 518 CA THR A 38 -1.919 -11.368 0.397 1.00 0.00 C ATOM 519 C THR A 38 -0.644 -11.293 -0.445 1.00 0.00 C ATOM 520 O THR A 38 0.062 -12.288 -0.600 1.00 0.00 O ATOM 521 CB THR A 38 -1.773 -10.727 1.778 1.00 0.00 C ATOM 522 OG1 THR A 38 -3.045 -10.925 2.389 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.628 -9.206 1.706 1.00 0.00 C ATOM 0 H THR A 38 -2.103 -13.139 1.502 1.00 0.00 H new ATOM 0 HA THR A 38 -2.672 -10.809 -0.158 1.00 0.00 H new ATOM 0 HB THR A 38 -0.906 -11.151 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.038 -10.541 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.528 -8.802 2.713 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.742 -8.952 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.510 -8.779 1.230 1.00 0.00 H new ATOM 531 N GLU A 39 -0.387 -10.102 -0.968 1.00 0.00 N ATOM 532 CA GLU A 39 0.791 -9.884 -1.790 1.00 0.00 C ATOM 533 C GLU A 39 1.351 -8.480 -1.554 1.00 0.00 C ATOM 534 O GLU A 39 1.137 -7.578 -2.363 1.00 0.00 O ATOM 535 CB GLU A 39 0.474 -10.106 -3.271 1.00 0.00 C ATOM 536 CG GLU A 39 -0.063 -11.518 -3.511 1.00 0.00 C ATOM 537 CD GLU A 39 1.052 -12.558 -3.383 1.00 0.00 C ATOM 538 OE1 GLU A 39 2.166 -12.258 -3.864 1.00 0.00 O ATOM 539 OE2 GLU A 39 0.765 -13.630 -2.807 1.00 0.00 O ATOM 0 H GLU A 39 -0.975 -9.279 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 39 1.551 -10.610 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.261 -9.372 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.373 -9.949 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.854 -11.737 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.508 -11.578 -4.504 1.00 0.00 H new ATOM 546 N VAL A 40 2.056 -8.339 -0.441 1.00 0.00 N ATOM 547 CA VAL A 40 2.649 -7.060 -0.088 1.00 0.00 C ATOM 548 C VAL A 40 3.875 -6.811 -0.968 1.00 0.00 C ATOM 549 O VAL A 40 4.764 -7.656 -1.054 1.00 0.00 O ATOM 550 CB VAL A 40 2.969 -7.027 1.408 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.547 -5.670 1.815 1.00 0.00 C ATOM 552 CG2 VAL A 40 1.732 -7.369 2.241 1.00 0.00 C ATOM 0 H VAL A 40 2.230 -9.089 0.228 1.00 0.00 H new ATOM 0 HA VAL A 40 1.946 -6.248 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 40 3.726 -7.786 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.766 -5.673 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.465 -5.483 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.823 -4.885 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.987 -7.338 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.944 -6.644 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.383 -8.368 1.981 1.00 0.00 H new ATOM 562 N ILE A 41 3.884 -5.646 -1.599 1.00 0.00 N ATOM 563 CA ILE A 41 4.987 -5.274 -2.469 1.00 0.00 C ATOM 564 C ILE A 41 5.541 -3.917 -2.032 1.00 0.00 C ATOM 565 O ILE A 41 4.862 -3.158 -1.342 1.00 0.00 O ATOM 566 CB ILE A 41 4.551 -5.317 -3.935 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.405 -6.311 -4.138 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.738 -5.616 -4.852 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.848 -7.735 -3.795 1.00 0.00 C ATOM 0 H ILE A 41 3.145 -4.947 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 41 5.801 -5.994 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 41 4.174 -4.331 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.559 -6.029 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.063 -6.272 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.400 -5.641 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.493 -4.839 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.168 -6.582 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.015 -8.422 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.679 -8.023 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.166 -7.776 -2.753 1.00 0.00 H new ATOM 581 N ALA A 42 6.770 -3.653 -2.451 1.00 0.00 N ATOM 582 CA ALA A 42 7.423 -2.400 -2.111 1.00 0.00 C ATOM 583 C ALA A 42 8.381 -2.007 -3.237 1.00 0.00 C ATOM 584 O ALA A 42 9.196 -2.818 -3.675 1.00 0.00 O ATOM 585 CB ALA A 42 8.135 -2.544 -0.764 1.00 0.00 C ATOM 0 H ALA A 42 7.331 -4.285 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 42 6.689 -1.601 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.625 -1.604 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.407 -2.795 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.881 -3.336 -0.830 1.00 0.00 H new ATOM 591 N THR A 43 8.250 -0.763 -3.675 1.00 0.00 N ATOM 592 CA THR A 43 9.094 -0.253 -4.743 1.00 0.00 C ATOM 593 C THR A 43 10.446 0.197 -4.185 1.00 0.00 C ATOM 594 O THR A 43 10.501 0.973 -3.232 1.00 0.00 O ATOM 595 CB THR A 43 8.329 0.863 -5.457 1.00 0.00 C ATOM 596 OG1 THR A 43 7.267 0.185 -6.122 1.00 0.00 O ATOM 597 CG2 THR A 43 9.138 1.492 -6.593 1.00 0.00 C ATOM 0 H THR A 43 7.573 -0.094 -3.310 1.00 0.00 H new ATOM 0 HA THR A 43 9.322 -1.030 -5.473 1.00 0.00 H new ATOM 0 HB THR A 43 8.054 1.633 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.719 0.835 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.550 2.278 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.057 1.918 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.384 0.728 -7.331 1.00 0.00 H new ATOM 605 N LEU A 44 11.503 -0.309 -4.803 1.00 0.00 N ATOM 606 CA LEU A 44 12.851 0.031 -4.380 1.00 0.00 C ATOM 607 C LEU A 44 13.181 1.452 -4.839 1.00 0.00 C ATOM 608 O LEU A 44 12.690 1.904 -5.873 1.00 0.00 O ATOM 609 CB LEU A 44 13.848 -1.021 -4.870 1.00 0.00 C ATOM 610 CG LEU A 44 14.824 -1.559 -3.822 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.427 -2.893 -4.268 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.903 -0.524 -3.495 1.00 0.00 C ATOM 0 H LEU A 44 11.453 -0.952 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 44 12.923 0.022 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.287 -1.861 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.425 -0.592 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 44 14.269 -1.747 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.117 -3.253 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.630 -3.623 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.964 -2.754 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.584 -0.932 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.461 -0.281 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.434 0.379 -3.105 1.00 0.00 H new ATOM 624 N LYS A 45 14.011 2.118 -4.049 1.00 0.00 N ATOM 625 CA LYS A 45 14.412 3.479 -4.361 1.00 0.00 C ATOM 626 C LYS A 45 15.409 3.458 -5.522 1.00 0.00 C ATOM 627 O LYS A 45 15.838 4.509 -5.995 1.00 0.00 O ATOM 628 CB LYS A 45 14.941 4.182 -3.110 1.00 0.00 C ATOM 629 CG LYS A 45 15.280 5.645 -3.405 1.00 0.00 C ATOM 630 CD LYS A 45 16.761 5.804 -3.755 1.00 0.00 C ATOM 631 CE LYS A 45 17.509 6.549 -2.648 1.00 0.00 C ATOM 632 NZ LYS A 45 18.524 7.456 -3.229 1.00 0.00 N ATOM 0 H LYS A 45 14.417 1.740 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 45 13.552 4.064 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.195 4.131 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.829 3.665 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.667 6.005 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.039 6.260 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.210 4.822 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.860 6.347 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.803 7.121 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.991 5.834 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.023 7.954 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.207 6.902 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.057 8.150 -3.847 1.00 0.00 H new ATOM 646 N ASN A 46 15.747 2.250 -5.948 1.00 0.00 N ATOM 647 CA ASN A 46 16.685 2.078 -7.044 1.00 0.00 C ATOM 648 C ASN A 46 15.909 1.824 -8.338 1.00 0.00 C ATOM 649 O ASN A 46 16.486 1.832 -9.424 1.00 0.00 O ATOM 650 CB ASN A 46 17.604 0.880 -6.801 1.00 0.00 C ATOM 651 CG ASN A 46 17.848 0.103 -8.096 1.00 0.00 C ATOM 652 OD1 ASN A 46 18.427 0.599 -9.048 1.00 0.00 O ATOM 653 ND2 ASN A 46 17.374 -1.139 -8.079 1.00 0.00 N ATOM 0 H ASN A 46 15.388 1.381 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 46 17.287 2.984 -7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.555 1.224 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.158 0.221 -6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.486 -1.739 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.899 -1.492 -7.248 1.00 0.00 H new ATOM 660 N GLY A 47 14.612 1.604 -8.179 1.00 0.00 N ATOM 661 CA GLY A 47 13.751 1.347 -9.321 1.00 0.00 C ATOM 662 C GLY A 47 13.266 -0.104 -9.327 1.00 0.00 C ATOM 663 O GLY A 47 12.392 -0.467 -10.113 1.00 0.00 O ATOM 0 H GLY A 47 14.137 1.598 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.894 2.020 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.292 1.557 -10.244 1.00 0.00 H new ATOM 667 N GLN A 48 13.854 -0.894 -8.441 1.00 0.00 N ATOM 668 CA GLN A 48 13.492 -2.298 -8.334 1.00 0.00 C ATOM 669 C GLN A 48 12.294 -2.467 -7.397 1.00 0.00 C ATOM 670 O GLN A 48 11.695 -1.483 -6.965 1.00 0.00 O ATOM 671 CB GLN A 48 14.681 -3.136 -7.861 1.00 0.00 C ATOM 672 CG GLN A 48 15.515 -3.624 -9.047 1.00 0.00 C ATOM 673 CD GLN A 48 16.589 -4.614 -8.592 1.00 0.00 C ATOM 674 OE1 GLN A 48 17.755 -4.283 -8.451 1.00 0.00 O ATOM 675 NE2 GLN A 48 16.133 -5.844 -8.373 1.00 0.00 N ATOM 0 H GLN A 48 14.578 -0.589 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 48 13.208 -2.657 -9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.305 -2.543 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.323 -3.991 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.865 -4.099 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.985 -2.773 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.144 -6.053 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.772 -6.578 -8.068 1.00 0.00 H new ATOM 684 N LYS A 49 11.981 -3.722 -7.110 1.00 0.00 N ATOM 685 CA LYS A 49 10.865 -4.033 -6.232 1.00 0.00 C ATOM 686 C LYS A 49 11.246 -5.206 -5.327 1.00 0.00 C ATOM 687 O LYS A 49 12.030 -6.069 -5.719 1.00 0.00 O ATOM 688 CB LYS A 49 9.593 -4.273 -7.047 1.00 0.00 C ATOM 689 CG LYS A 49 9.116 -2.981 -7.713 1.00 0.00 C ATOM 690 CD LYS A 49 9.061 -3.136 -9.234 1.00 0.00 C ATOM 691 CE LYS A 49 8.643 -1.825 -9.904 1.00 0.00 C ATOM 692 NZ LYS A 49 9.499 -1.548 -11.079 1.00 0.00 N ATOM 0 H LYS A 49 12.480 -4.535 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 49 10.644 -3.187 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.782 -5.030 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.809 -4.662 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.129 -2.716 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.788 -2.163 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.038 -3.444 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.356 -3.924 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.599 -1.884 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.718 -1.005 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.049 -0.823 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.428 -1.206 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.623 -2.420 -11.632 1.00 0.00 H new ATOM 706 N ALA A 50 10.674 -5.199 -4.132 1.00 0.00 N ATOM 707 CA ALA A 50 10.944 -6.252 -3.167 1.00 0.00 C ATOM 708 C ALA A 50 9.627 -6.710 -2.537 1.00 0.00 C ATOM 709 O ALA A 50 8.989 -5.955 -1.804 1.00 0.00 O ATOM 710 CB ALA A 50 11.943 -5.746 -2.125 1.00 0.00 C ATOM 0 H ALA A 50 10.025 -4.481 -3.810 1.00 0.00 H new ATOM 0 HA ALA A 50 11.393 -7.116 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.145 -6.536 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.871 -5.460 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.525 -4.881 -1.610 1.00 0.00 H new ATOM 716 N CYS A 51 9.258 -7.945 -2.846 1.00 0.00 N ATOM 717 CA CYS A 51 8.029 -8.512 -2.319 1.00 0.00 C ATOM 718 C CYS A 51 8.231 -8.798 -0.830 1.00 0.00 C ATOM 719 O CYS A 51 9.282 -9.293 -0.426 1.00 0.00 O ATOM 720 CB CYS A 51 7.609 -9.766 -3.089 1.00 0.00 C ATOM 721 SG CYS A 51 6.288 -9.501 -4.326 1.00 0.00 S ATOM 0 H CYS A 51 9.789 -8.568 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 51 7.214 -7.799 -2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.484 -10.175 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.273 -10.518 -2.375 1.00 0.00 H new ATOM 726 N LEU A 52 7.207 -8.473 -0.053 1.00 0.00 N ATOM 727 CA LEU A 52 7.260 -8.689 1.383 1.00 0.00 C ATOM 728 C LEU A 52 6.267 -9.788 1.766 1.00 0.00 C ATOM 729 O LEU A 52 5.321 -10.060 1.028 1.00 0.00 O ATOM 730 CB LEU A 52 7.038 -7.372 2.130 1.00 0.00 C ATOM 731 CG LEU A 52 7.991 -6.230 1.775 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.360 -4.872 2.087 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.343 -6.408 2.469 1.00 0.00 C ATOM 0 H LEU A 52 6.337 -8.062 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 52 8.250 -9.036 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.017 -7.039 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.118 -7.566 3.200 1.00 0.00 H new ATOM 0 HG LEU A 52 8.175 -6.260 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.059 -4.077 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.444 -4.755 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.127 -4.815 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.002 -5.582 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.199 -6.419 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.793 -7.349 2.153 1.00 0.00 H new ATOM 745 N ASN A 53 6.517 -10.391 2.919 1.00 0.00 N ATOM 746 CA ASN A 53 5.657 -11.455 3.408 1.00 0.00 C ATOM 747 C ASN A 53 4.680 -10.883 4.437 1.00 0.00 C ATOM 748 O ASN A 53 5.097 -10.325 5.451 1.00 0.00 O ATOM 749 CB ASN A 53 6.474 -12.553 4.092 1.00 0.00 C ATOM 750 CG ASN A 53 5.669 -13.850 4.200 1.00 0.00 C ATOM 751 OD1 ASN A 53 4.980 -14.262 3.281 1.00 0.00 O ATOM 752 ND2 ASN A 53 5.793 -14.467 5.372 1.00 0.00 N ATOM 0 H ASN A 53 7.303 -10.163 3.528 1.00 0.00 H new ATOM 0 HA ASN A 53 5.126 -11.878 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.389 -12.735 3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.773 -12.222 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.294 -15.340 5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.387 -14.067 6.099 1.00 0.00 H new ATOM 759 N PRO A 54 3.364 -11.045 4.133 1.00 0.00 N ATOM 760 CA PRO A 54 2.325 -10.551 5.020 1.00 0.00 C ATOM 761 C PRO A 54 2.186 -11.445 6.254 1.00 0.00 C ATOM 762 O PRO A 54 1.332 -11.205 7.106 1.00 0.00 O ATOM 763 CB PRO A 54 1.066 -10.514 4.169 1.00 0.00 C ATOM 764 CG PRO A 54 1.340 -11.421 2.980 1.00 0.00 C ATOM 765 CD PRO A 54 2.834 -11.701 2.942 1.00 0.00 C ATOM 0 HA PRO A 54 2.549 -9.562 5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.202 -10.862 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.845 -9.498 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.779 -12.351 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.017 -10.945 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.037 -12.772 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.289 -11.303 2.035 1.00 0.00 H new ATOM 773 N ALA A 55 3.038 -12.458 6.310 1.00 0.00 N ATOM 774 CA ALA A 55 3.021 -13.389 7.425 1.00 0.00 C ATOM 775 C ALA A 55 4.237 -13.132 8.318 1.00 0.00 C ATOM 776 O ALA A 55 4.625 -13.992 9.107 1.00 0.00 O ATOM 777 CB ALA A 55 2.981 -14.823 6.893 1.00 0.00 C ATOM 0 H ALA A 55 3.745 -12.654 5.601 1.00 0.00 H new ATOM 0 HA ALA A 55 2.129 -13.242 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.968 -15.521 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.084 -14.963 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.863 -15.008 6.279 1.00 0.00 H new ATOM 783 N SER A 56 4.805 -11.945 8.162 1.00 0.00 N ATOM 784 CA SER A 56 5.969 -11.564 8.944 1.00 0.00 C ATOM 785 C SER A 56 5.636 -10.358 9.825 1.00 0.00 C ATOM 786 O SER A 56 4.903 -9.463 9.407 1.00 0.00 O ATOM 787 CB SER A 56 7.161 -11.248 8.039 1.00 0.00 C ATOM 788 OG SER A 56 8.166 -10.502 8.720 1.00 0.00 O ATOM 0 H SER A 56 4.481 -11.235 7.506 1.00 0.00 H new ATOM 0 HA SER A 56 6.244 -12.405 9.580 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.590 -12.178 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.818 -10.685 7.171 1.00 0.00 H new ATOM 0 HG SER A 56 8.949 -10.402 8.139 1.00 0.00 H new ATOM 794 N PRO A 57 6.206 -10.373 11.059 1.00 0.00 N ATOM 795 CA PRO A 57 5.977 -9.292 12.003 1.00 0.00 C ATOM 796 C PRO A 57 6.774 -8.046 11.612 1.00 0.00 C ATOM 797 O PRO A 57 6.355 -6.923 11.890 1.00 0.00 O ATOM 798 CB PRO A 57 6.382 -9.856 13.354 1.00 0.00 C ATOM 799 CG PRO A 57 7.256 -11.065 13.057 1.00 0.00 C ATOM 800 CD PRO A 57 7.080 -11.416 11.588 1.00 0.00 C ATOM 0 HA PRO A 57 4.938 -8.962 12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.927 -9.115 13.939 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.506 -10.141 13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.301 -10.844 13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.971 -11.907 13.688 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.037 -11.432 11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.635 -12.404 11.468 1.00 0.00 H new ATOM 808 N MET A 58 7.910 -8.285 10.973 1.00 0.00 N ATOM 809 CA MET A 58 8.770 -7.196 10.541 1.00 0.00 C ATOM 810 C MET A 58 8.210 -6.519 9.289 1.00 0.00 C ATOM 811 O MET A 58 8.484 -5.346 9.038 1.00 0.00 O ATOM 812 CB MET A 58 10.170 -7.738 10.246 1.00 0.00 C ATOM 813 CG MET A 58 11.245 -6.723 10.642 1.00 0.00 C ATOM 814 SD MET A 58 12.023 -7.223 12.168 1.00 0.00 S ATOM 815 CE MET A 58 10.674 -6.956 13.306 1.00 0.00 C ATOM 0 H MET A 58 8.255 -9.217 10.744 1.00 0.00 H new ATOM 0 HA MET A 58 8.818 -6.456 11.340 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.326 -8.669 10.791 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.258 -7.971 9.185 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.992 -6.645 9.852 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.799 -5.735 10.758 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.038 -7.049 14.329 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.263 -5.958 13.156 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.896 -7.699 13.129 1.00 0.00 H new ATOM 825 N VAL A 59 7.435 -7.286 8.536 1.00 0.00 N ATOM 826 CA VAL A 59 6.833 -6.775 7.316 1.00 0.00 C ATOM 827 C VAL A 59 5.720 -5.789 7.676 1.00 0.00 C ATOM 828 O VAL A 59 5.208 -5.082 6.809 1.00 0.00 O ATOM 829 CB VAL A 59 6.346 -7.935 6.447 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.354 -7.449 5.389 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.523 -8.668 5.800 1.00 0.00 C ATOM 0 H VAL A 59 7.210 -8.258 8.747 1.00 0.00 H new ATOM 0 HA VAL A 59 7.570 -6.231 6.725 1.00 0.00 H new ATOM 0 HB VAL A 59 5.826 -8.642 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.023 -8.294 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.493 -6.994 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.838 -6.712 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.149 -9.488 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.084 -7.974 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.176 -9.064 6.577 1.00 0.00 H new ATOM 841 N LYS A 60 5.379 -5.772 8.956 1.00 0.00 N ATOM 842 CA LYS A 60 4.336 -4.885 9.441 1.00 0.00 C ATOM 843 C LYS A 60 4.978 -3.669 10.113 1.00 0.00 C ATOM 844 O LYS A 60 4.280 -2.816 10.659 1.00 0.00 O ATOM 845 CB LYS A 60 3.363 -5.644 10.345 1.00 0.00 C ATOM 846 CG LYS A 60 2.971 -6.986 9.723 1.00 0.00 C ATOM 847 CD LYS A 60 2.066 -6.783 8.506 1.00 0.00 C ATOM 848 CE LYS A 60 0.647 -6.404 8.935 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.153 -7.618 9.211 1.00 0.00 N ATOM 0 H LYS A 60 5.807 -6.359 9.672 1.00 0.00 H new ATOM 0 HA LYS A 60 3.737 -4.512 8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.821 -5.811 11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.470 -5.041 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.868 -7.529 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.458 -7.598 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.478 -6.001 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.038 -7.697 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.685 -5.776 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.169 -5.816 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.113 -7.343 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.205 -8.202 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.296 -8.163 9.974 1.00 0.00 H new ATOM 863 N LYS A 61 6.301 -3.629 10.052 1.00 0.00 N ATOM 864 CA LYS A 61 7.045 -2.533 10.647 1.00 0.00 C ATOM 865 C LYS A 61 7.804 -1.783 9.551 1.00 0.00 C ATOM 866 O LYS A 61 8.258 -0.659 9.763 1.00 0.00 O ATOM 867 CB LYS A 61 7.942 -3.045 11.776 1.00 0.00 C ATOM 868 CG LYS A 61 7.108 -3.656 12.905 1.00 0.00 C ATOM 869 CD LYS A 61 7.565 -3.134 14.268 1.00 0.00 C ATOM 870 CE LYS A 61 6.699 -3.706 15.392 1.00 0.00 C ATOM 871 NZ LYS A 61 7.350 -4.890 15.996 1.00 0.00 N ATOM 0 H LYS A 61 6.877 -4.339 9.599 1.00 0.00 H new ATOM 0 HA LYS A 61 6.365 -1.818 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.634 -3.791 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.545 -2.225 12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.055 -3.417 12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.195 -4.742 12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.608 -3.404 14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.512 -2.045 14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.534 -2.945 16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.720 -3.982 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.749 -5.266 16.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.485 -5.621 15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.274 -4.616 16.387 1.00 0.00 H new ATOM 885 N ILE A 62 7.920 -2.434 8.403 1.00 0.00 N ATOM 886 CA ILE A 62 8.616 -1.843 7.274 1.00 0.00 C ATOM 887 C ILE A 62 7.613 -1.085 6.402 1.00 0.00 C ATOM 888 O ILE A 62 8.002 -0.260 5.576 1.00 0.00 O ATOM 889 CB ILE A 62 9.409 -2.909 6.515 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.360 -3.656 7.452 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.143 -2.299 5.319 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.582 -5.093 6.977 1.00 0.00 C ATOM 0 H ILE A 62 7.543 -3.366 8.231 1.00 0.00 H new ATOM 0 HA ILE A 62 9.352 -1.117 7.618 1.00 0.00 H new ATOM 0 HB ILE A 62 8.705 -3.642 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.315 -3.133 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.950 -3.662 8.462 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.699 -3.078 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.419 -1.851 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.835 -1.533 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.262 -5.601 7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.628 -5.620 6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.014 -5.083 5.976 1.00 0.00 H new ATOM 904 N ILE A 63 6.342 -1.392 6.614 1.00 0.00 N ATOM 905 CA ILE A 63 5.280 -0.751 5.858 1.00 0.00 C ATOM 906 C ILE A 63 4.758 0.455 6.642 1.00 0.00 C ATOM 907 O ILE A 63 4.752 1.575 6.134 1.00 0.00 O ATOM 908 CB ILE A 63 4.194 -1.765 5.493 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.663 -2.689 4.368 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.881 -1.061 5.148 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.995 -4.062 4.472 1.00 0.00 C ATOM 0 H ILE A 63 6.023 -2.077 7.299 1.00 0.00 H new ATOM 0 HA ILE A 63 5.662 -0.374 4.909 1.00 0.00 H new ATOM 0 HB ILE A 63 4.004 -2.391 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.430 -2.240 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.746 -2.803 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.126 -1.804 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.543 -0.481 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.037 -0.396 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.346 -4.700 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.249 -4.519 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.913 -3.947 4.401 1.00 0.00 H new ATOM 923 N GLU A 64 4.333 0.184 7.867 1.00 0.00 N ATOM 924 CA GLU A 64 3.810 1.233 8.727 1.00 0.00 C ATOM 925 C GLU A 64 4.824 2.372 8.852 1.00 0.00 C ATOM 926 O GLU A 64 4.445 3.539 8.938 1.00 0.00 O ATOM 927 CB GLU A 64 3.436 0.678 10.103 1.00 0.00 C ATOM 928 CG GLU A 64 2.283 -0.322 9.996 1.00 0.00 C ATOM 929 CD GLU A 64 2.250 -1.252 11.211 1.00 0.00 C ATOM 930 OE1 GLU A 64 2.690 -0.795 12.288 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.786 -2.399 11.035 1.00 0.00 O ATOM 0 H GLU A 64 4.340 -0.746 8.285 1.00 0.00 H new ATOM 0 HA GLU A 64 2.902 1.630 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.303 0.192 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.152 1.497 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.337 0.215 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.391 -0.911 9.085 1.00 0.00 H new ATOM 938 N LYS A 65 6.094 1.993 8.857 1.00 0.00 N ATOM 939 CA LYS A 65 7.165 2.968 8.970 1.00 0.00 C ATOM 940 C LYS A 65 7.271 3.756 7.663 1.00 0.00 C ATOM 941 O LYS A 65 7.596 4.943 7.674 1.00 0.00 O ATOM 942 CB LYS A 65 8.470 2.285 9.383 1.00 0.00 C ATOM 943 CG LYS A 65 8.523 2.073 10.898 1.00 0.00 C ATOM 944 CD LYS A 65 9.957 2.185 11.418 1.00 0.00 C ATOM 945 CE LYS A 65 10.159 3.486 12.196 1.00 0.00 C ATOM 946 NZ LYS A 65 11.497 4.055 11.916 1.00 0.00 N ATOM 0 H LYS A 65 6.405 1.024 8.785 1.00 0.00 H new ATOM 0 HA LYS A 65 6.944 3.686 9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.559 1.325 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.318 2.892 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.894 2.812 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.118 1.092 11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.182 1.334 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.655 2.145 10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.387 4.205 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.054 3.298 13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.618 4.938 12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.230 3.374 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.584 4.253 10.899 1.00 0.00 H new ATOM 960 N MET A 66 6.991 3.065 6.568 1.00 0.00 N ATOM 961 CA MET A 66 7.051 3.685 5.255 1.00 0.00 C ATOM 962 C MET A 66 6.058 4.845 5.151 1.00 0.00 C ATOM 963 O MET A 66 6.361 5.874 4.548 1.00 0.00 O ATOM 964 CB MET A 66 6.732 2.642 4.182 1.00 0.00 C ATOM 965 CG MET A 66 7.898 2.490 3.203 1.00 0.00 C ATOM 966 SD MET A 66 8.263 4.061 2.438 1.00 0.00 S ATOM 967 CE MET A 66 6.709 4.375 1.618 1.00 0.00 C ATOM 0 H MET A 66 6.722 2.081 6.563 1.00 0.00 H new ATOM 0 HA MET A 66 8.057 4.077 5.105 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.521 1.682 4.654 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.833 2.935 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.778 2.119 3.728 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.648 1.754 2.439 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.894 4.870 0.664 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.193 3.431 1.443 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.090 5.016 2.245 1.00 0.00 H new ATOM 977 N LEU A 67 4.894 4.640 5.749 1.00 0.00 N ATOM 978 CA LEU A 67 3.855 5.656 5.731 1.00 0.00 C ATOM 979 C LEU A 67 4.287 6.837 6.603 1.00 0.00 C ATOM 980 O LEU A 67 3.711 7.920 6.516 1.00 0.00 O ATOM 981 CB LEU A 67 2.509 5.052 6.136 1.00 0.00 C ATOM 982 CG LEU A 67 1.797 4.221 5.067 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.707 3.109 4.541 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.468 3.674 5.592 1.00 0.00 C ATOM 0 H LEU A 67 4.647 3.786 6.249 1.00 0.00 H new ATOM 0 HA LEU A 67 3.715 6.040 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.665 4.423 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.846 5.863 6.439 1.00 0.00 H new ATOM 0 HG LEU A 67 1.566 4.874 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.177 2.533 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.603 3.549 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.991 2.452 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.017 3.087 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.652 3.042 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.179 4.503 5.878 1.00 0.00 H new ATOM 996 N LYS A 68 5.296 6.587 7.423 1.00 0.00 N ATOM 997 CA LYS A 68 5.812 7.616 8.310 1.00 0.00 C ATOM 998 C LYS A 68 7.117 8.171 7.736 1.00 0.00 C ATOM 999 O LYS A 68 7.472 9.321 7.991 1.00 0.00 O ATOM 1000 CB LYS A 68 5.949 7.076 9.735 1.00 0.00 C ATOM 1001 CG LYS A 68 4.911 7.710 10.664 1.00 0.00 C ATOM 1002 CD LYS A 68 5.544 8.803 11.527 1.00 0.00 C ATOM 1003 CE LYS A 68 4.732 9.033 12.804 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.153 10.286 13.467 1.00 0.00 N ATOM 0 H LYS A 68 5.771 5.687 7.492 1.00 0.00 H new ATOM 0 HA LYS A 68 5.111 8.449 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.825 5.993 9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.952 7.281 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.099 8.133 10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.474 6.944 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.564 8.521 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.605 9.731 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.670 9.081 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.867 8.192 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.592 10.427 14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.161 10.226 13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.002 11.088 12.822 1.00 0.00 H new ATOM 1018 N ASN A 69 7.795 7.329 6.970 1.00 0.00 N ATOM 1019 CA ASN A 69 9.052 7.722 6.357 1.00 0.00 C ATOM 1020 C ASN A 69 10.070 8.046 7.452 1.00 0.00 C ATOM 1021 O ASN A 69 10.948 7.237 7.747 1.00 0.00 O ATOM 1022 CB ASN A 69 8.876 8.971 5.490 1.00 0.00 C ATOM 1023 CG ASN A 69 10.230 9.503 5.015 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.274 8.920 5.254 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.153 10.642 4.332 1.00 0.00 N ATOM 0 H ASN A 69 7.497 6.376 6.760 1.00 0.00 H new ATOM 0 HA ASN A 69 9.395 6.896 5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.251 8.735 4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.357 9.743 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.001 11.080 3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.246 11.078 4.167 1.00 0.00 H new ATOM 1032 N GLY A 70 9.917 9.230 8.026 1.00 0.00 N ATOM 1033 CA GLY A 70 10.811 9.671 9.083 1.00 0.00 C ATOM 1034 C GLY A 70 12.225 9.899 8.545 1.00 0.00 C ATOM 1035 O GLY A 70 12.932 8.945 8.223 1.00 0.00 O ATOM 0 H GLY A 70 9.187 9.898 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.432 10.593 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.836 8.925 9.878 1.00 0.00 H new ATOM 1135 N ARG B 8 7.586 15.738 -9.060 1.00 0.00 N ATOM 1136 CA ARG B 8 6.554 16.149 -8.124 1.00 0.00 C ATOM 1137 C ARG B 8 5.888 14.923 -7.496 1.00 0.00 C ATOM 1138 O ARG B 8 6.544 13.911 -7.254 1.00 0.00 O ATOM 1139 CB ARG B 8 5.488 17.000 -8.817 1.00 0.00 C ATOM 1140 CG ARG B 8 6.127 17.987 -9.797 1.00 0.00 C ATOM 1141 CD ARG B 8 5.264 19.240 -9.954 1.00 0.00 C ATOM 1142 NE ARG B 8 5.786 20.079 -11.056 1.00 0.00 N ATOM 1143 CZ ARG B 8 6.853 20.883 -10.947 1.00 0.00 C ATOM 1144 NH1 ARG B 8 7.517 20.962 -9.786 1.00 0.00 N ATOM 1145 NH2 ARG B 8 7.255 21.609 -12.000 1.00 0.00 N ATOM 0 HA ARG B 8 7.031 16.746 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.791 16.353 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.911 17.545 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.119 18.266 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.259 17.508 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.231 18.957 -10.159 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.260 19.808 -9.024 1.00 0.00 H new ATOM 0 HE ARG B 8 5.304 20.043 -11.954 1.00 0.00 H new ATOM 0 HH11 ARG B 8 7.211 20.410 -8.985 1.00 0.00 H new ATOM 0 HH12 ARG B 8 8.329 21.574 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG B 8 6.749 21.549 -12.884 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.067 22.221 -11.917 1.00 0.00 H new ATOM 1159 N CYS B 9 4.592 15.054 -7.250 1.00 0.00 N ATOM 1160 CA CYS B 9 3.830 13.969 -6.654 1.00 0.00 C ATOM 1161 C CYS B 9 3.127 13.203 -7.777 1.00 0.00 C ATOM 1162 O CYS B 9 2.894 13.749 -8.854 1.00 0.00 O ATOM 1163 CB CYS B 9 2.840 14.482 -5.607 1.00 0.00 C ATOM 1164 SG CYS B 9 3.581 14.878 -3.980 1.00 0.00 S ATOM 0 H CYS B 9 4.051 15.894 -7.452 1.00 0.00 H new ATOM 0 HA CYS B 9 4.504 13.297 -6.123 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.352 15.376 -5.996 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.063 13.731 -5.464 1.00 0.00 H new ATOM 1169 N GLN B 10 2.810 11.950 -7.486 1.00 0.00 N ATOM 1170 CA GLN B 10 2.138 11.104 -8.458 1.00 0.00 C ATOM 1171 C GLN B 10 0.624 11.311 -8.385 1.00 0.00 C ATOM 1172 O GLN B 10 -0.124 10.732 -9.172 1.00 0.00 O ATOM 1173 CB GLN B 10 2.502 9.633 -8.248 1.00 0.00 C ATOM 1174 CG GLN B 10 1.930 8.761 -9.368 1.00 0.00 C ATOM 1175 CD GLN B 10 2.621 7.396 -9.407 1.00 0.00 C ATOM 1176 OE1 GLN B 10 2.386 6.641 -8.338 1.00 0.00 O flip ATOM 1177 NE2 GLN B 10 3.320 7.052 -10.345 1.00 0.00 N flip ATOM 0 H GLN B 10 3.006 11.500 -6.592 1.00 0.00 H new ATOM 0 HA GLN B 10 2.476 11.389 -9.454 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.586 9.524 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN B 10 2.118 9.293 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN B 10 0.859 8.626 -9.218 1.00 0.00 H new ATOM 0 HG3 GLN B 10 2.057 9.264 -10.326 1.00 0.00 H new ATOM 0 HE21 GLN B 10 3.459 7.682 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN B 10 3.766 6.135 -10.339 1.00 0.00 H new ATOM 1186 N CYS B 11 0.217 12.136 -7.432 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.195 12.426 -7.246 1.00 0.00 C ATOM 1188 C CYS B 11 -1.337 13.904 -6.878 1.00 0.00 C ATOM 1189 O CYS B 11 -0.701 14.378 -5.938 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.826 11.513 -6.194 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.211 10.482 -6.803 1.00 0.00 S ATOM 0 H CYS B 11 0.840 12.613 -6.780 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.734 12.230 -8.173 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.053 10.858 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.185 12.127 -5.368 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.177 14.592 -7.638 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.411 16.007 -7.403 1.00 0.00 C ATOM 1198 C LEU B 12 -3.566 16.171 -6.413 1.00 0.00 C ATOM 1199 O LEU B 12 -3.729 17.234 -5.815 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.628 16.741 -8.728 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.693 16.348 -9.873 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.375 16.542 -11.229 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.368 17.108 -9.785 1.00 0.00 C ATOM 0 H LEU B 12 -2.704 14.196 -8.417 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.534 16.468 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.656 16.572 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.522 17.811 -8.549 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.463 15.287 -9.776 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.689 16.255 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.269 15.920 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.654 17.589 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.278 16.810 -10.611 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.559 18.180 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.122 16.877 -8.839 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.337 15.103 -6.270 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.472 15.116 -5.363 1.00 0.00 C ATOM 1217 C GLN B 13 -5.504 13.829 -4.535 1.00 0.00 C ATOM 1218 O GLN B 13 -4.715 12.915 -4.772 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.783 15.309 -6.127 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.834 15.993 -5.250 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.812 16.806 -6.100 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -8.471 17.820 -6.686 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -10.044 16.306 -6.134 1.00 0.00 N ATOM 0 H GLN B 13 -4.198 14.223 -6.767 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.359 15.960 -4.683 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.603 15.909 -7.019 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.158 14.342 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.380 15.243 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.342 16.647 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -10.262 15.453 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -10.770 16.776 -6.674 1.00 0.00 H new ATOM 1232 N THR B 14 -6.424 13.799 -3.582 1.00 0.00 N ATOM 1233 CA THR B 14 -6.569 12.640 -2.719 1.00 0.00 C ATOM 1234 C THR B 14 -7.975 12.594 -2.118 1.00 0.00 C ATOM 1235 O THR B 14 -8.705 13.584 -2.162 1.00 0.00 O ATOM 1236 CB THR B 14 -5.460 12.693 -1.665 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.395 14.069 -1.300 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.079 12.398 -2.254 1.00 0.00 C ATOM 0 H THR B 14 -7.076 14.559 -3.389 1.00 0.00 H new ATOM 0 HA THR B 14 -6.459 11.713 -3.282 1.00 0.00 H new ATOM 0 HB THR B 14 -5.677 11.977 -0.872 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.702 14.194 -0.619 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.329 12.448 -1.465 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.077 11.401 -2.694 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.847 13.135 -3.023 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.314 11.436 -1.571 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.620 11.249 -0.963 1.00 0.00 C ATOM 1248 C LEU B 15 -9.475 11.264 0.560 1.00 0.00 C ATOM 1249 O LEU B 15 -8.366 11.367 1.081 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.287 9.983 -1.505 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.592 9.974 -3.004 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.766 8.544 -3.520 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -11.805 10.850 -3.322 1.00 0.00 C ATOM 0 H LEU B 15 -7.706 10.617 -1.536 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.285 12.070 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.643 9.133 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.220 9.828 -0.964 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.739 10.404 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.982 8.566 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.849 7.981 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.591 8.065 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.000 10.826 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.676 10.473 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -11.604 11.876 -3.013 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.613 11.160 1.232 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.627 11.161 2.685 1.00 0.00 C ATOM 1267 C GLN B 16 -10.723 9.729 3.215 1.00 0.00 C ATOM 1268 O GLN B 16 -10.597 9.499 4.417 1.00 0.00 O ATOM 1269 CB GLN B 16 -11.771 12.023 3.222 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.107 11.650 4.667 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.085 12.654 5.279 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.287 12.449 5.311 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -12.504 13.749 5.763 1.00 0.00 N ATOM 0 H GLN B 16 -11.531 11.075 0.797 1.00 0.00 H new ATOM 0 HA GLN B 16 -9.692 11.597 3.038 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.493 13.076 3.170 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.653 11.894 2.595 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -12.540 10.650 4.697 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.193 11.619 5.260 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.492 13.858 5.704 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.071 14.480 6.193 1.00 0.00 H new ATOM 1282 N GLY B 17 -10.944 8.804 2.293 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.058 7.401 2.653 1.00 0.00 C ATOM 1284 C GLY B 17 -12.376 6.810 2.146 1.00 0.00 C ATOM 1285 O GLY B 17 -13.426 7.015 2.752 1.00 0.00 O ATOM 0 H GLY B 17 -11.047 8.999 1.297 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.220 6.845 2.232 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.000 7.294 3.736 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.276 6.089 1.038 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.447 5.468 0.443 1.00 0.00 C ATOM 1291 C ILE B 18 -13.682 4.104 1.095 1.00 0.00 C ATOM 1292 O ILE B 18 -12.772 3.533 1.694 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.304 5.404 -1.079 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.759 6.713 -1.728 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -14.045 4.194 -1.650 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -13.617 6.649 -3.250 1.00 0.00 C ATOM 0 H ILE B 18 -11.403 5.921 0.538 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.335 6.071 0.632 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.248 5.276 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -14.798 6.912 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -13.167 7.541 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -13.927 4.173 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.633 3.280 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -15.104 4.266 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -13.947 7.592 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -12.573 6.474 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -14.229 5.835 -3.639 1.00 0.00 H new ATOM 1308 N HIS B 19 -14.909 3.622 0.958 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.276 2.336 1.527 1.00 0.00 C ATOM 1310 C HIS B 19 -14.280 1.269 1.069 1.00 0.00 C ATOM 1311 O HIS B 19 -13.829 1.286 -0.076 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.724 1.983 1.181 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.490 1.352 2.319 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.665 1.885 2.819 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.237 0.227 3.048 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.091 1.109 3.805 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.204 0.082 3.946 1.00 0.00 N ATOM 0 H HIS B 19 -15.661 4.099 0.461 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.225 2.387 2.615 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.243 2.888 0.865 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.728 1.300 0.331 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.393 -0.434 2.917 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -19.983 1.263 4.394 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.273 -0.673 4.629 1.00 0.00 H new ATOM 1325 N LEU B 20 -13.965 0.366 1.986 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.030 -0.706 1.690 1.00 0.00 C ATOM 1327 C LEU B 20 -13.746 -1.793 0.886 1.00 0.00 C ATOM 1328 O LEU B 20 -13.144 -2.805 0.531 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.381 -1.220 2.977 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.754 -2.614 2.901 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.650 -2.663 1.843 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -11.252 -3.065 4.274 1.00 0.00 C ATOM 0 H LEU B 20 -14.341 0.355 2.934 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.211 -0.338 1.072 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -11.609 -0.512 3.279 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.135 -1.225 3.764 1.00 0.00 H new ATOM 0 HG LEU B 20 -12.526 -3.319 2.593 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -10.222 -3.665 1.810 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.069 -2.416 0.868 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.871 -1.944 2.096 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -10.811 -4.058 4.192 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.500 -2.363 4.635 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -12.086 -3.095 4.975 1.00 0.00 H new ATOM 1344 N LYS B 21 -15.021 -1.547 0.622 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.825 -2.492 -0.134 1.00 0.00 C ATOM 1346 C LYS B 21 -15.512 -2.343 -1.624 1.00 0.00 C ATOM 1347 O LYS B 21 -15.851 -3.215 -2.423 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.308 -2.324 0.203 1.00 0.00 C ATOM 1349 CG LYS B 21 -18.191 -2.928 -0.890 1.00 0.00 C ATOM 1350 CD LYS B 21 -18.072 -4.453 -0.911 1.00 0.00 C ATOM 1351 CE LYS B 21 -18.984 -5.089 0.140 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.496 -6.438 0.502 1.00 0.00 N ATOM 0 H LYS B 21 -15.517 -0.707 0.918 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.573 -3.515 0.144 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.524 -2.805 1.157 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.540 -1.265 0.319 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -19.230 -2.643 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.902 -2.524 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -18.334 -4.828 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -17.038 -4.743 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -19.020 -4.458 1.028 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.002 -5.155 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -19.126 -6.855 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -18.485 -7.042 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -17.533 -6.367 0.889 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.870 -1.232 -1.953 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.508 -0.958 -3.334 1.00 0.00 C ATOM 1368 C ASN B 22 -13.004 -1.171 -3.514 1.00 0.00 C ATOM 1369 O ASN B 22 -12.581 -1.950 -4.367 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.829 0.490 -3.710 1.00 0.00 C ATOM 1371 CG ASN B 22 -16.157 0.579 -4.465 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.390 -0.109 -5.446 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -17.011 1.461 -3.955 1.00 0.00 N ATOM 0 H ASN B 22 -14.591 -0.511 -1.288 1.00 0.00 H new ATOM 0 HA ASN B 22 -15.079 -1.632 -3.973 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.877 1.101 -2.809 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -14.028 0.895 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.925 1.594 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.752 2.004 -3.132 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.236 -0.465 -2.697 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.788 -0.567 -2.755 1.00 0.00 C ATOM 1382 C ILE B 23 -10.387 -2.043 -2.803 1.00 0.00 C ATOM 1383 O ILE B 23 -10.835 -2.839 -1.979 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.149 0.207 -1.600 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -10.010 1.691 -1.946 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.811 -0.416 -1.197 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.539 2.570 -0.811 1.00 0.00 C ATOM 0 H ILE B 23 -12.590 0.180 -1.991 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.410 -0.103 -3.666 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.809 0.139 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.963 1.927 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.557 1.907 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.378 0.153 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.970 -1.447 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -8.130 -0.398 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.429 3.620 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.592 2.348 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.973 2.369 0.099 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.546 -2.363 -3.776 1.00 0.00 N ATOM 1400 CA GLN B 24 -9.079 -3.729 -3.942 1.00 0.00 C ATOM 1401 C GLN B 24 -7.604 -3.837 -3.551 1.00 0.00 C ATOM 1402 O GLN B 24 -7.108 -4.930 -3.280 1.00 0.00 O ATOM 1403 CB GLN B 24 -9.304 -4.215 -5.375 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.884 -5.631 -5.390 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.773 -6.679 -5.291 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.653 -7.402 -4.316 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.972 -6.720 -6.352 1.00 0.00 N ATOM 0 H GLN B 24 -9.176 -1.700 -4.457 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.658 -4.373 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.982 -3.535 -5.891 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.360 -4.199 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.579 -5.752 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.454 -5.785 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -8.130 -6.085 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -7.200 -7.386 -6.383 1.00 0.00 H new ATOM 1416 N SER B 25 -6.944 -2.688 -3.534 1.00 0.00 N ATOM 1417 CA SER B 25 -5.535 -2.640 -3.181 1.00 0.00 C ATOM 1418 C SER B 25 -5.154 -1.225 -2.742 1.00 0.00 C ATOM 1419 O SER B 25 -5.829 -0.259 -3.093 1.00 0.00 O ATOM 1420 CB SER B 25 -4.658 -3.086 -4.353 1.00 0.00 C ATOM 1421 OG SER B 25 -5.311 -4.053 -5.171 1.00 0.00 O ATOM 0 H SER B 25 -7.359 -1.784 -3.759 1.00 0.00 H new ATOM 0 HA SER B 25 -5.366 -3.329 -2.353 1.00 0.00 H new ATOM 0 HB2 SER B 25 -4.393 -2.219 -4.958 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.727 -3.504 -3.970 1.00 0.00 H new ATOM 0 HG SER B 25 -4.800 -4.181 -5.997 1.00 0.00 H new ATOM 1427 N VAL B 26 -4.073 -1.147 -1.979 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.594 0.134 -1.488 1.00 0.00 C ATOM 1429 C VAL B 26 -2.094 0.253 -1.766 1.00 0.00 C ATOM 1430 O VAL B 26 -1.340 -0.692 -1.539 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.942 0.289 -0.006 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -3.188 1.467 0.614 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.452 0.440 0.190 1.00 0.00 C ATOM 0 H VAL B 26 -3.515 -1.950 -1.689 1.00 0.00 H new ATOM 0 HA VAL B 26 -4.087 0.953 -2.011 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.627 -0.619 0.509 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.453 1.555 1.668 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -2.115 1.300 0.523 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.458 2.386 0.094 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.672 0.548 1.252 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.802 1.323 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.959 -0.444 -0.197 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.706 1.422 -2.253 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.310 1.678 -2.564 1.00 0.00 C ATOM 1445 C LYS B 27 0.114 3.005 -1.932 1.00 0.00 C ATOM 1446 O LYS B 27 -0.533 4.030 -2.140 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.077 1.613 -4.074 1.00 0.00 C ATOM 1448 CG LYS B 27 1.418 1.571 -4.397 1.00 0.00 C ATOM 1449 CD LYS B 27 2.069 2.934 -4.158 1.00 0.00 C ATOM 1450 CE LYS B 27 2.841 3.398 -5.395 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.250 2.951 -5.324 1.00 0.00 N ATOM 0 H LYS B 27 -2.335 2.203 -2.440 1.00 0.00 H new ATOM 0 HA LYS B 27 0.325 0.903 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.566 0.729 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.532 2.480 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.906 0.817 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.561 1.273 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.303 3.668 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.745 2.874 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS B 27 2.372 3.000 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.801 4.485 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.866 3.771 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.359 2.267 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.517 2.500 -6.222 1.00 0.00 H new ATOM 1465 N VAL B 28 1.199 2.943 -1.174 1.00 0.00 N ATOM 1466 CA VAL B 28 1.717 4.127 -0.511 1.00 0.00 C ATOM 1467 C VAL B 28 3.075 4.492 -1.115 1.00 0.00 C ATOM 1468 O VAL B 28 4.003 3.684 -1.098 1.00 0.00 O ATOM 1469 CB VAL B 28 1.778 3.897 1.001 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.717 4.901 1.671 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.380 3.955 1.621 1.00 0.00 C ATOM 0 H VAL B 28 1.733 2.091 -1.004 1.00 0.00 H new ATOM 0 HA VAL B 28 1.051 4.975 -0.671 1.00 0.00 H new ATOM 0 HB VAL B 28 2.179 2.898 1.172 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.742 4.715 2.745 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.721 4.791 1.260 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.359 5.914 1.486 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.451 3.788 2.696 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.061 4.934 1.434 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.248 3.184 1.175 1.00 0.00 H new ATOM 1481 N LYS B 29 3.148 5.708 -1.634 1.00 0.00 N ATOM 1482 CA LYS B 29 4.377 6.189 -2.242 1.00 0.00 C ATOM 1483 C LYS B 29 4.923 7.360 -1.422 1.00 0.00 C ATOM 1484 O LYS B 29 4.626 8.518 -1.713 1.00 0.00 O ATOM 1485 CB LYS B 29 4.149 6.526 -3.717 1.00 0.00 C ATOM 1486 CG LYS B 29 5.454 6.428 -4.510 1.00 0.00 C ATOM 1487 CD LYS B 29 6.252 7.731 -4.415 1.00 0.00 C ATOM 1488 CE LYS B 29 6.405 8.381 -5.792 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.298 7.571 -6.651 1.00 0.00 N ATOM 0 H LYS B 29 2.376 6.375 -1.646 1.00 0.00 H new ATOM 0 HA LYS B 29 5.138 5.409 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.411 5.845 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.741 7.533 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.054 5.601 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.234 6.208 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.750 8.421 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.236 7.529 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.428 8.480 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.810 9.387 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.927 8.201 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.869 6.936 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.726 7.006 -7.311 1.00 0.00 H new ATOM 1503 N SER B 30 5.711 7.018 -0.413 1.00 0.00 N ATOM 1504 CA SER B 30 6.300 8.026 0.451 1.00 0.00 C ATOM 1505 C SER B 30 6.878 9.165 -0.392 1.00 0.00 C ATOM 1506 O SER B 30 6.962 9.057 -1.614 1.00 0.00 O ATOM 1507 CB SER B 30 7.388 7.421 1.341 1.00 0.00 C ATOM 1508 OG SER B 30 6.949 7.264 2.688 1.00 0.00 O ATOM 0 H SER B 30 5.955 6.057 -0.175 1.00 0.00 H new ATOM 0 HA SER B 30 5.517 8.422 1.098 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.686 6.452 0.941 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.271 8.060 1.319 1.00 0.00 H new ATOM 0 HG SER B 30 7.387 6.483 3.086 1.00 0.00 H new ATOM 1514 N PRO B 31 7.271 10.259 0.313 1.00 0.00 N ATOM 1515 CA PRO B 31 7.839 11.417 -0.357 1.00 0.00 C ATOM 1516 C PRO B 31 9.277 11.144 -0.801 1.00 0.00 C ATOM 1517 O PRO B 31 9.826 10.079 -0.519 1.00 0.00 O ATOM 1518 CB PRO B 31 7.734 12.547 0.655 1.00 0.00 C ATOM 1519 CG PRO B 31 7.543 11.880 2.007 1.00 0.00 C ATOM 1520 CD PRO B 31 7.187 10.423 1.762 1.00 0.00 C ATOM 0 HA PRO B 31 7.311 11.672 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.633 13.163 0.647 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.896 13.204 0.422 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.453 11.956 2.602 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.752 12.377 2.569 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.877 9.755 2.277 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.187 10.193 2.129 1.00 0.00 H new ATOM 1528 N GLY B 32 9.846 12.123 -1.488 1.00 0.00 N ATOM 1529 CA GLY B 32 11.210 12.001 -1.975 1.00 0.00 C ATOM 1530 C GLY B 32 11.886 13.371 -2.061 1.00 0.00 C ATOM 1531 O GLY B 32 11.423 14.335 -1.454 1.00 0.00 O ATOM 0 H GLY B 32 9.388 13.004 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.780 11.351 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.208 11.530 -2.958 1.00 0.00 H new ATOM 1535 N PRO B 33 12.999 13.414 -2.841 1.00 0.00 N ATOM 1536 CA PRO B 33 13.743 14.650 -3.015 1.00 0.00 C ATOM 1537 C PRO B 33 13.005 15.607 -3.954 1.00 0.00 C ATOM 1538 O PRO B 33 13.490 16.701 -4.238 1.00 0.00 O ATOM 1539 CB PRO B 33 15.099 14.221 -3.550 1.00 0.00 C ATOM 1540 CG PRO B 33 14.907 12.814 -4.094 1.00 0.00 C ATOM 1541 CD PRO B 33 13.577 12.293 -3.576 1.00 0.00 C ATOM 0 HA PRO B 33 13.855 15.208 -2.085 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.442 14.898 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.852 14.236 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.916 12.821 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.722 12.166 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.929 11.980 -4.395 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.716 11.426 -2.930 1.00 0.00 H new ATOM 1549 N HIS B 34 11.845 15.159 -4.411 1.00 0.00 N ATOM 1550 CA HIS B 34 11.036 15.962 -5.312 1.00 0.00 C ATOM 1551 C HIS B 34 9.751 16.393 -4.602 1.00 0.00 C ATOM 1552 O HIS B 34 9.396 17.571 -4.613 1.00 0.00 O ATOM 1553 CB HIS B 34 10.768 15.210 -6.617 1.00 0.00 C ATOM 1554 CG HIS B 34 10.651 13.713 -6.451 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.718 12.916 -6.074 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.585 12.879 -6.613 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.300 11.660 -6.016 1.00 0.00 C ATOM 1558 NE2 HIS B 34 9.978 11.639 -6.351 1.00 0.00 N ATOM 0 H HIS B 34 11.446 14.251 -4.174 1.00 0.00 H new ATOM 0 HA HIS B 34 11.579 16.866 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.847 15.589 -7.060 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.572 15.425 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.589 13.177 -6.905 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.901 10.803 -5.750 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.389 10.807 -6.393 1.00 0.00 H new ATOM 1566 N CYS B 35 9.088 15.416 -4.001 1.00 0.00 N ATOM 1567 CA CYS B 35 7.851 15.679 -3.287 1.00 0.00 C ATOM 1568 C CYS B 35 8.062 15.326 -1.813 1.00 0.00 C ATOM 1569 O CYS B 35 8.370 14.181 -1.483 1.00 0.00 O ATOM 1570 CB CYS B 35 6.673 14.914 -3.894 1.00 0.00 C ATOM 1571 SG CYS B 35 5.309 15.967 -4.510 1.00 0.00 S ATOM 0 H CYS B 35 9.385 14.440 -3.994 1.00 0.00 H new ATOM 0 HA CYS B 35 7.596 16.735 -3.374 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.041 14.302 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.275 14.232 -3.143 1.00 0.00 H new ATOM 1576 N ALA B 36 7.887 16.330 -0.966 1.00 0.00 N ATOM 1577 CA ALA B 36 8.055 16.139 0.465 1.00 0.00 C ATOM 1578 C ALA B 36 6.705 15.775 1.088 1.00 0.00 C ATOM 1579 O ALA B 36 6.488 15.995 2.278 1.00 0.00 O ATOM 1580 CB ALA B 36 8.659 17.403 1.081 1.00 0.00 C ATOM 0 H ALA B 36 7.631 17.278 -1.243 1.00 0.00 H new ATOM 0 HA ALA B 36 8.743 15.318 0.665 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.785 17.260 2.154 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.629 17.602 0.625 1.00 0.00 H new ATOM 0 HB3 ALA B 36 7.994 18.248 0.903 1.00 0.00 H new ATOM 1586 N GLN B 37 5.835 15.224 0.255 1.00 0.00 N ATOM 1587 CA GLN B 37 4.513 14.828 0.709 1.00 0.00 C ATOM 1588 C GLN B 37 4.255 13.357 0.373 1.00 0.00 C ATOM 1589 O GLN B 37 4.849 12.816 -0.558 1.00 0.00 O ATOM 1590 CB GLN B 37 3.432 15.726 0.103 1.00 0.00 C ATOM 1591 CG GLN B 37 3.895 17.183 0.054 1.00 0.00 C ATOM 1592 CD GLN B 37 3.864 17.816 1.447 1.00 0.00 C ATOM 1593 OE1 GLN B 37 3.371 17.244 2.405 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.417 19.024 1.505 1.00 0.00 N ATOM 0 H GLN B 37 6.020 15.042 -0.732 1.00 0.00 H new ATOM 0 HA GLN B 37 4.472 14.947 1.792 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.191 15.383 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.518 15.650 0.693 1.00 0.00 H new ATOM 0 HG2 GLN B 37 4.906 17.233 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN B 37 3.254 17.750 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN B 37 4.812 19.445 0.664 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.446 19.529 2.390 1.00 0.00 H new ATOM 1603 N THR B 38 3.369 12.752 1.151 1.00 0.00 N ATOM 1604 CA THR B 38 3.025 11.355 0.948 1.00 0.00 C ATOM 1605 C THR B 38 2.019 11.214 -0.196 1.00 0.00 C ATOM 1606 O THR B 38 1.350 12.179 -0.561 1.00 0.00 O ATOM 1607 CB THR B 38 2.517 10.795 2.278 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.496 11.210 3.226 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.572 9.267 2.329 1.00 0.00 C ATOM 0 H THR B 38 2.879 13.204 1.923 1.00 0.00 H new ATOM 0 HA THR B 38 3.896 10.773 0.646 1.00 0.00 H new ATOM 0 HB THR B 38 1.492 11.127 2.444 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.244 10.891 4.118 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.201 8.922 3.294 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.953 8.854 1.533 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.602 8.935 2.197 1.00 0.00 H new ATOM 1617 N GLU B 39 1.943 10.004 -0.729 1.00 0.00 N ATOM 1618 CA GLU B 39 1.030 9.724 -1.824 1.00 0.00 C ATOM 1619 C GLU B 39 0.467 8.306 -1.696 1.00 0.00 C ATOM 1620 O GLU B 39 1.189 7.329 -1.888 1.00 0.00 O ATOM 1621 CB GLU B 39 1.717 9.921 -3.176 1.00 0.00 C ATOM 1622 CG GLU B 39 1.755 11.402 -3.561 1.00 0.00 C ATOM 1623 CD GLU B 39 3.196 11.909 -3.650 1.00 0.00 C ATOM 1624 OE1 GLU B 39 3.778 11.774 -4.748 1.00 0.00 O ATOM 1625 OE2 GLU B 39 3.683 12.419 -2.618 1.00 0.00 O ATOM 0 H GLU B 39 2.499 9.206 -0.423 1.00 0.00 H new ATOM 0 HA GLU B 39 0.201 10.430 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.732 9.527 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.188 9.356 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.256 11.545 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.205 11.987 -2.824 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.816 8.240 -1.374 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.483 6.959 -1.219 1.00 0.00 C ATOM 1634 C VAL B 40 -2.412 6.725 -2.412 1.00 0.00 C ATOM 1635 O VAL B 40 -3.361 7.478 -2.622 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.213 6.908 0.125 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.070 5.645 0.236 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.225 7.005 1.289 1.00 0.00 C ATOM 0 H VAL B 40 -1.411 9.053 -1.216 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.755 6.148 -1.209 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.879 7.770 0.178 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.578 5.634 1.200 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.810 5.636 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.433 4.765 0.151 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.769 6.966 2.233 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.523 6.172 1.241 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.678 7.945 1.224 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.105 5.677 -3.163 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.900 5.334 -4.330 1.00 0.00 C ATOM 1650 C ILE B 41 -3.435 3.909 -4.176 1.00 0.00 C ATOM 1651 O ILE B 41 -2.663 2.953 -4.136 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.094 5.553 -5.611 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.400 6.916 -5.595 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -2.973 5.371 -6.850 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.116 6.762 -5.735 1.00 0.00 C ATOM 0 H ILE B 41 -1.317 5.054 -2.986 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.765 5.993 -4.409 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.313 4.794 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.783 7.532 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.632 7.435 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.375 5.532 -7.747 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.380 4.360 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.791 6.091 -6.825 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.585 7.746 -5.721 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.499 6.166 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.346 6.265 -6.677 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.754 3.811 -4.094 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.402 2.519 -3.946 1.00 0.00 C ATOM 1669 C ALA B 42 -6.078 2.138 -5.264 1.00 0.00 C ATOM 1670 O ALA B 42 -6.562 3.004 -5.991 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.389 2.573 -2.778 1.00 0.00 C ATOM 0 H ALA B 42 -5.392 4.606 -4.127 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.668 1.746 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.875 1.604 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.854 2.818 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.142 3.336 -2.973 1.00 0.00 H new ATOM 1677 N THR B 43 -6.091 0.840 -5.533 1.00 0.00 N ATOM 1678 CA THR B 43 -6.700 0.334 -6.751 1.00 0.00 C ATOM 1679 C THR B 43 -8.141 -0.104 -6.484 1.00 0.00 C ATOM 1680 O THR B 43 -8.406 -0.829 -5.527 1.00 0.00 O ATOM 1681 CB THR B 43 -5.813 -0.790 -7.291 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.689 -0.110 -7.843 1.00 0.00 O ATOM 1683 CG2 THR B 43 -6.441 -1.506 -8.489 1.00 0.00 C ATOM 0 H THR B 43 -5.689 0.124 -4.928 1.00 0.00 H new ATOM 0 HA THR B 43 -6.766 1.111 -7.513 1.00 0.00 H new ATOM 0 HB THR B 43 -5.618 -1.512 -6.498 1.00 0.00 H new ATOM 0 HG1 THR B 43 -4.061 -0.764 -8.214 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.772 -2.294 -8.834 1.00 0.00 H new ATOM 0 HG22 THR B 43 -7.394 -1.944 -8.193 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.605 -0.791 -9.295 1.00 0.00 H new ATOM 1691 N LEU B 44 -9.035 0.355 -7.348 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.443 0.019 -7.218 1.00 0.00 C ATOM 1693 C LEU B 44 -10.669 -1.412 -7.708 1.00 0.00 C ATOM 1694 O LEU B 44 -9.955 -1.891 -8.587 1.00 0.00 O ATOM 1695 CB LEU B 44 -11.309 1.058 -7.932 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.489 1.613 -7.131 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.986 2.931 -7.730 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.609 0.578 -7.015 1.00 0.00 C ATOM 0 H LEU B 44 -8.812 0.957 -8.141 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.747 0.049 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.672 1.892 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.695 0.612 -8.848 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.144 1.828 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.825 3.304 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.179 3.664 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.309 2.765 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.435 0.998 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.960 0.308 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.232 -0.311 -6.510 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.666 -2.055 -7.117 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.995 -3.422 -7.482 1.00 0.00 C ATOM 1712 C LYS B 45 -12.706 -3.427 -8.837 1.00 0.00 C ATOM 1713 O LYS B 45 -13.005 -4.488 -9.382 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.794 -4.097 -6.366 1.00 0.00 C ATOM 1715 CG LYS B 45 -13.662 -5.229 -6.920 1.00 0.00 C ATOM 1716 CD LYS B 45 -12.798 -6.339 -7.521 1.00 0.00 C ATOM 1717 CE LYS B 45 -12.586 -7.474 -6.517 1.00 0.00 C ATOM 1718 NZ LYS B 45 -12.033 -8.668 -7.193 1.00 0.00 N ATOM 0 H LYS B 45 -12.256 -1.654 -6.388 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.087 -4.015 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.112 -4.492 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.425 -3.360 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -14.284 -5.638 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -14.336 -4.836 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.275 -6.729 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.833 -5.931 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -11.907 -7.148 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -13.533 -7.726 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -11.895 -9.428 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -12.695 -8.988 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -11.120 -8.428 -7.629 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.956 -2.227 -9.342 1.00 0.00 N ATOM 1733 CA ASN B 46 -13.626 -2.079 -10.623 1.00 0.00 C ATOM 1734 C ASN B 46 -12.582 -1.838 -11.715 1.00 0.00 C ATOM 1735 O ASN B 46 -12.907 -1.846 -12.901 1.00 0.00 O ATOM 1736 CB ASN B 46 -14.582 -0.885 -10.610 1.00 0.00 C ATOM 1737 CG ASN B 46 -14.531 -0.128 -11.938 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -14.911 -0.630 -12.983 1.00 0.00 O ATOM 1739 ND2 ASN B 46 -14.042 1.105 -11.840 1.00 0.00 N ATOM 0 H ASN B 46 -12.707 -1.349 -8.887 1.00 0.00 H new ATOM 0 HA ASN B 46 -14.191 -2.991 -10.815 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -15.599 -1.231 -10.423 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -14.319 -0.213 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.967 1.692 -12.671 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.742 1.464 -10.934 1.00 0.00 H new ATOM 1746 N GLY B 47 -11.350 -1.630 -11.276 1.00 0.00 N ATOM 1747 CA GLY B 47 -10.256 -1.387 -12.201 1.00 0.00 C ATOM 1748 C GLY B 47 -9.784 0.066 -12.122 1.00 0.00 C ATOM 1749 O GLY B 47 -8.771 0.427 -12.720 1.00 0.00 O ATOM 0 H GLY B 47 -11.085 -1.625 -10.291 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -9.426 -2.056 -11.972 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.577 -1.614 -13.218 1.00 0.00 H new ATOM 1753 N GLN B 48 -10.539 0.861 -11.378 1.00 0.00 N ATOM 1754 CA GLN B 48 -10.210 2.267 -11.213 1.00 0.00 C ATOM 1755 C GLN B 48 -9.214 2.447 -10.065 1.00 0.00 C ATOM 1756 O GLN B 48 -8.702 1.469 -9.524 1.00 0.00 O ATOM 1757 CB GLN B 48 -11.471 3.102 -10.981 1.00 0.00 C ATOM 1758 CG GLN B 48 -12.062 3.583 -12.308 1.00 0.00 C ATOM 1759 CD GLN B 48 -13.292 4.462 -12.073 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -14.184 4.136 -11.308 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -13.289 5.593 -12.773 1.00 0.00 N ATOM 0 H GLN B 48 -11.378 0.558 -10.883 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.744 2.622 -12.132 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -12.211 2.509 -10.443 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -11.233 3.960 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -11.310 4.144 -12.863 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -12.336 2.724 -12.921 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -12.510 5.805 -13.396 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -14.066 6.248 -12.687 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.970 3.705 -9.728 1.00 0.00 N ATOM 1771 CA LYS B 49 -8.045 4.026 -8.655 1.00 0.00 C ATOM 1772 C LYS B 49 -8.579 5.225 -7.868 1.00 0.00 C ATOM 1773 O LYS B 49 -9.191 6.125 -8.441 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.634 4.235 -9.209 1.00 0.00 C ATOM 1775 CG LYS B 49 -6.156 2.997 -9.971 1.00 0.00 C ATOM 1776 CD LYS B 49 -6.450 3.127 -11.467 1.00 0.00 C ATOM 1777 CE LYS B 49 -5.643 2.108 -12.275 1.00 0.00 C ATOM 1778 NZ LYS B 49 -6.490 1.488 -13.318 1.00 0.00 N ATOM 0 H LYS B 49 -9.397 4.514 -10.179 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.969 3.193 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.624 5.101 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.947 4.451 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.085 2.862 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.649 2.109 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -7.515 2.978 -11.646 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -6.209 4.136 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.786 2.598 -12.737 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -5.250 1.338 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -6.037 0.617 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -7.422 1.259 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -6.607 2.152 -14.110 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.329 5.197 -6.567 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.778 6.270 -5.696 1.00 0.00 C ATOM 1794 C ALA B 50 -7.645 6.654 -4.743 1.00 0.00 C ATOM 1795 O ALA B 50 -7.252 5.862 -3.887 1.00 0.00 O ATOM 1796 CB ALA B 50 -10.041 5.829 -4.952 1.00 0.00 C ATOM 0 H ALA B 50 -7.821 4.448 -6.095 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.034 7.155 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.378 6.634 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.825 5.594 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.821 4.944 -4.354 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.150 7.870 -4.923 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.069 8.370 -4.090 1.00 0.00 C ATOM 1804 C CYS B 51 -6.649 8.741 -2.723 1.00 0.00 C ATOM 1805 O CYS B 51 -7.740 9.301 -2.639 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.350 9.551 -4.744 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.709 9.154 -5.451 1.00 0.00 S ATOM 0 H CYS B 51 -7.478 8.524 -5.634 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.314 7.594 -3.965 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -5.984 9.951 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.229 10.341 -4.002 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.891 8.413 -1.686 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.316 8.705 -0.328 1.00 0.00 C ATOM 1814 C LEU B 52 -5.430 9.809 0.253 1.00 0.00 C ATOM 1815 O LEU B 52 -4.372 10.113 -0.296 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.337 7.427 0.513 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.247 6.306 0.007 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.861 4.963 0.630 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.720 6.646 0.245 1.00 0.00 C ATOM 0 H LEU B 52 -4.986 7.948 -1.760 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.339 9.080 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.320 7.041 0.577 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.643 7.687 1.526 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.108 6.213 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.523 4.183 0.254 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.831 4.722 0.367 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.953 5.025 1.714 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.345 5.833 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.894 6.782 1.312 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.971 7.565 -0.284 1.00 0.00 H new ATOM 1831 N ASN B 53 -5.894 10.378 1.355 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.157 11.441 2.017 1.00 0.00 C ATOM 1833 C ASN B 53 -4.322 10.847 3.153 1.00 0.00 C ATOM 1834 O ASN B 53 -4.863 10.229 4.068 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.107 12.477 2.620 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.338 13.702 3.119 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -5.650 14.069 4.359 1.00 0.00 O flip ATOM 1838 ND2 ASN B 53 -4.515 14.275 2.425 1.00 0.00 N flip ATOM 0 H ASN B 53 -6.772 10.123 1.807 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.522 11.924 1.274 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -6.839 12.783 1.873 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.661 12.030 3.445 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.323 13.941 1.481 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -4.019 15.088 2.789 1.00 0.00 H new ATOM 1845 N PRO B 54 -2.983 11.061 3.054 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.067 10.554 4.062 1.00 0.00 C ATOM 1847 C PRO B 54 -2.142 11.390 5.341 1.00 0.00 C ATOM 1848 O PRO B 54 -1.427 11.122 6.305 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.697 10.594 3.405 1.00 0.00 C ATOM 1850 CG PRO B 54 -0.826 11.550 2.231 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.306 11.789 1.984 1.00 0.00 C ATOM 0 HA PRO B 54 -2.311 9.541 4.381 1.00 0.00 H new ATOM 0 HB2 PRO B 54 0.063 10.938 4.107 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.396 9.602 3.069 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.319 12.490 2.447 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.354 11.130 1.343 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.546 12.852 2.015 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.608 11.422 1.003 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.014 12.387 5.308 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.192 13.265 6.452 1.00 0.00 C ATOM 1861 C ALA B 55 -4.550 12.985 7.098 1.00 0.00 C ATOM 1862 O ALA B 55 -5.087 13.829 7.815 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.047 14.721 6.007 1.00 0.00 C ATOM 0 H ALA B 55 -3.605 12.606 4.506 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.425 13.076 7.203 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.181 15.379 6.866 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.055 14.875 5.583 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.802 14.948 5.255 1.00 0.00 H new ATOM 1869 N SER B 56 -5.068 11.797 6.822 1.00 0.00 N ATOM 1870 CA SER B 56 -6.354 11.396 7.367 1.00 0.00 C ATOM 1871 C SER B 56 -6.183 10.163 8.257 1.00 0.00 C ATOM 1872 O SER B 56 -5.363 9.293 7.968 1.00 0.00 O ATOM 1873 CB SER B 56 -7.360 11.108 6.250 1.00 0.00 C ATOM 1874 OG SER B 56 -8.484 10.371 6.722 1.00 0.00 O ATOM 0 H SER B 56 -4.620 11.099 6.228 1.00 0.00 H new ATOM 0 HA SER B 56 -6.743 12.219 7.967 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.699 12.049 5.816 1.00 0.00 H new ATOM 0 HB3 SER B 56 -6.868 10.549 5.454 1.00 0.00 H new ATOM 0 HG SER B 56 -9.231 10.479 6.097 1.00 0.00 H new ATOM 1880 N PRO B 57 -6.990 10.128 9.351 1.00 0.00 N ATOM 1881 CA PRO B 57 -6.936 9.017 10.285 1.00 0.00 C ATOM 1882 C PRO B 57 -7.614 7.776 9.701 1.00 0.00 C ATOM 1883 O PRO B 57 -7.275 6.650 10.063 1.00 0.00 O ATOM 1884 CB PRO B 57 -7.617 9.529 11.545 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.435 10.736 11.115 1.00 0.00 C ATOM 1886 CD PRO B 57 -7.973 11.141 9.725 1.00 0.00 C ATOM 0 HA PRO B 57 -5.916 8.698 10.501 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.254 8.761 11.984 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.882 9.804 12.302 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.498 10.494 11.109 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.300 11.559 11.817 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.806 11.163 9.022 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.532 12.138 9.729 1.00 0.00 H new ATOM 1894 N MET B 58 -8.561 8.023 8.808 1.00 0.00 N ATOM 1895 CA MET B 58 -9.290 6.940 8.170 1.00 0.00 C ATOM 1896 C MET B 58 -8.396 6.182 7.187 1.00 0.00 C ATOM 1897 O MET B 58 -8.680 5.036 6.841 1.00 0.00 O ATOM 1898 CB MET B 58 -10.501 7.507 7.427 1.00 0.00 C ATOM 1899 CG MET B 58 -11.606 6.457 7.298 1.00 0.00 C ATOM 1900 SD MET B 58 -12.892 6.774 8.494 1.00 0.00 S ATOM 1901 CE MET B 58 -11.970 6.552 10.007 1.00 0.00 C ATOM 0 H MET B 58 -8.840 8.958 8.511 1.00 0.00 H new ATOM 0 HA MET B 58 -9.620 6.245 8.942 1.00 0.00 H new ATOM 0 HB2 MET B 58 -10.883 8.379 7.959 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.198 7.845 6.436 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.022 6.477 6.291 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.192 5.461 7.452 1.00 0.00 H new ATOM 0 HE1 MET B 58 -12.659 6.520 10.851 1.00 0.00 H new ATOM 0 HE2 MET B 58 -11.411 5.617 9.959 1.00 0.00 H new ATOM 0 HE3 MET B 58 -11.276 7.383 10.136 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.334 6.852 6.765 1.00 0.00 N ATOM 1912 CA VAL B 59 -6.396 6.255 5.828 1.00 0.00 C ATOM 1913 C VAL B 59 -5.612 5.147 6.534 1.00 0.00 C ATOM 1914 O VAL B 59 -5.039 4.276 5.882 1.00 0.00 O ATOM 1915 CB VAL B 59 -5.495 7.337 5.230 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -4.119 6.770 4.874 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -6.153 7.987 4.011 1.00 0.00 C ATOM 0 H VAL B 59 -7.102 7.802 7.054 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.928 5.796 4.995 1.00 0.00 H new ATOM 0 HB VAL B 59 -5.353 8.110 5.985 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -3.498 7.560 4.451 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -3.644 6.377 5.773 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -4.233 5.968 4.144 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -5.491 8.752 3.605 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -6.340 7.229 3.251 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -7.097 8.444 4.307 1.00 0.00 H new ATOM 1927 N LYS B 60 -5.613 5.216 7.857 1.00 0.00 N ATOM 1928 CA LYS B 60 -4.909 4.229 8.658 1.00 0.00 C ATOM 1929 C LYS B 60 -5.883 3.123 9.069 1.00 0.00 C ATOM 1930 O LYS B 60 -5.516 2.211 9.808 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.207 4.900 9.840 1.00 0.00 C ATOM 1932 CG LYS B 60 -3.301 6.039 9.366 1.00 0.00 C ATOM 1933 CD LYS B 60 -4.117 7.297 9.061 1.00 0.00 C ATOM 1934 CE LYS B 60 -3.426 8.545 9.615 1.00 0.00 C ATOM 1935 NZ LYS B 60 -2.414 9.045 8.658 1.00 0.00 N ATOM 0 H LYS B 60 -6.090 5.940 8.394 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.119 3.758 8.073 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.950 5.288 10.536 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.616 4.162 10.383 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -2.558 6.260 10.132 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -2.757 5.729 8.474 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.248 7.397 7.984 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.112 7.204 9.496 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.166 9.321 9.810 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.950 8.312 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.955 9.892 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.699 8.308 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.876 9.287 7.758 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.105 3.240 8.571 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.134 2.261 8.877 1.00 0.00 C ATOM 1951 C LYS B 61 -8.570 1.565 7.586 1.00 0.00 C ATOM 1952 O LYS B 61 -9.203 0.511 7.627 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.286 2.916 9.641 1.00 0.00 C ATOM 1954 CG LYS B 61 -8.802 3.496 10.972 1.00 0.00 C ATOM 1955 CD LYS B 61 -9.773 3.157 12.104 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.306 3.764 13.428 1.00 0.00 C ATOM 1957 NZ LYS B 61 -10.011 3.133 14.566 1.00 0.00 N ATOM 0 H LYS B 61 -7.406 3.998 7.958 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.741 1.489 9.539 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.726 3.707 9.034 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.070 2.181 9.824 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.813 3.102 11.206 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -8.702 4.578 10.886 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -10.767 3.531 11.859 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -9.855 2.075 12.205 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -8.230 3.627 13.538 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -9.492 4.838 13.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -9.682 3.557 15.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -11.035 3.286 14.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -9.812 2.112 14.574 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.214 2.183 6.469 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.560 1.636 5.168 1.00 0.00 C ATOM 1973 C ILE B 62 -7.427 0.731 4.682 1.00 0.00 C ATOM 1974 O ILE B 62 -7.617 -0.074 3.771 1.00 0.00 O ATOM 1975 CB ILE B 62 -8.912 2.759 4.191 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.051 3.624 4.736 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.231 2.199 2.803 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -9.941 5.062 4.225 1.00 0.00 C ATOM 0 H ILE B 62 -7.689 3.057 6.438 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.454 1.017 5.241 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.040 3.405 4.085 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.010 3.200 4.436 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.027 3.619 5.826 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -9.478 3.018 2.128 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.364 1.662 2.419 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.079 1.518 2.872 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -10.762 5.655 4.627 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -8.992 5.491 4.547 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -9.990 5.066 3.136 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.272 0.892 5.311 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.108 0.100 4.954 1.00 0.00 C ATOM 1992 C ILE B 63 -5.059 -1.152 5.833 1.00 0.00 C ATOM 1993 O ILE B 63 -5.046 -2.272 5.324 1.00 0.00 O ATOM 1994 CB ILE B 63 -3.838 0.950 5.026 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -3.741 1.893 3.824 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.595 0.069 5.165 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -2.972 3.165 4.186 1.00 0.00 C ATOM 0 H ILE B 63 -6.118 1.560 6.066 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.180 -0.237 3.920 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.893 1.571 5.920 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.243 1.385 2.998 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.742 2.154 3.480 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.706 0.698 5.214 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.670 -0.525 6.076 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.522 -0.595 4.304 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -2.918 3.818 3.315 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.486 3.683 4.996 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.964 2.902 4.506 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.034 -0.920 7.137 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.987 -2.015 8.091 1.00 0.00 C ATOM 2011 C GLU B 64 -6.113 -3.013 7.809 1.00 0.00 C ATOM 2012 O GLU B 64 -5.936 -4.218 7.981 1.00 0.00 O ATOM 2013 CB GLU B 64 -5.063 -1.494 9.528 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.829 -0.659 9.874 1.00 0.00 C ATOM 2015 CD GLU B 64 -4.113 0.277 11.051 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -5.141 0.046 11.724 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.297 1.202 11.250 1.00 0.00 O ATOM 0 H GLU B 64 -5.045 0.010 7.555 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.034 -2.531 7.976 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.962 -0.890 9.653 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.144 -2.333 10.219 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.997 -1.318 10.122 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.525 -0.075 9.005 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.245 -2.474 7.381 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.399 -3.302 7.074 1.00 0.00 C ATOM 2026 C LYS B 65 -8.176 -4.002 5.732 1.00 0.00 C ATOM 2027 O LYS B 65 -8.687 -5.098 5.508 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.683 -2.472 7.129 1.00 0.00 C ATOM 2029 CG LYS B 65 -10.077 -2.166 8.576 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.284 -3.002 9.004 1.00 0.00 C ATOM 2031 CE LYS B 65 -11.054 -3.632 10.379 1.00 0.00 C ATOM 2032 NZ LYS B 65 -12.232 -4.429 10.788 1.00 0.00 N ATOM 0 H LYS B 65 -7.388 -1.474 7.240 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.519 -4.083 7.825 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.541 -1.540 6.582 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.491 -3.012 6.635 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.235 -2.371 9.237 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -10.310 -1.106 8.677 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -12.174 -2.374 9.032 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.469 -3.784 8.268 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.169 -4.268 10.351 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -10.862 -2.852 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -12.059 -4.849 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -13.069 -3.813 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -12.397 -5.185 10.094 1.00 0.00 H new ATOM 2046 N MET B 66 -7.413 -3.340 4.875 1.00 0.00 N ATOM 2047 CA MET B 66 -7.117 -3.885 3.561 1.00 0.00 C ATOM 2048 C MET B 66 -6.193 -5.100 3.667 1.00 0.00 C ATOM 2049 O MET B 66 -6.335 -6.060 2.911 1.00 0.00 O ATOM 2050 CB MET B 66 -6.449 -2.810 2.701 1.00 0.00 C ATOM 2051 CG MET B 66 -7.340 -2.424 1.518 1.00 0.00 C ATOM 2052 SD MET B 66 -7.687 -3.863 0.520 1.00 0.00 S ATOM 2053 CE MET B 66 -6.028 -4.314 0.038 1.00 0.00 C ATOM 0 H MET B 66 -6.991 -2.431 5.065 1.00 0.00 H new ATOM 0 HA MET B 66 -8.053 -4.202 3.101 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.243 -1.929 3.309 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.490 -3.176 2.335 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.272 -1.989 1.880 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.847 -1.663 0.914 1.00 0.00 H new ATOM 0 HE1 MET B 66 -6.047 -4.764 -0.955 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.399 -3.424 0.021 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.623 -5.030 0.753 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.267 -5.019 4.612 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.321 -6.100 4.827 1.00 0.00 C ATOM 2065 C LEU B 67 -5.031 -7.264 5.520 1.00 0.00 C ATOM 2066 O LEU B 67 -4.516 -8.380 5.552 1.00 0.00 O ATOM 2067 CB LEU B 67 -3.091 -5.593 5.582 1.00 0.00 C ATOM 2068 CG LEU B 67 -2.071 -4.809 4.754 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.718 -3.585 4.103 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.852 -4.432 5.599 1.00 0.00 C ATOM 0 H LEU B 67 -5.152 -4.221 5.237 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.949 -6.476 3.874 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.428 -4.959 6.402 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.585 -6.449 6.029 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.718 -5.453 3.949 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.971 -3.045 3.520 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.527 -3.907 3.447 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.117 -2.930 4.877 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.143 -3.876 4.986 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.169 -3.814 6.439 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.375 -5.338 5.974 1.00 0.00 H new ATOM 2082 N LYS B 68 -6.204 -6.963 6.059 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.991 -7.971 6.749 1.00 0.00 C ATOM 2084 C LYS B 68 -8.175 -8.378 5.870 1.00 0.00 C ATOM 2085 O LYS B 68 -8.758 -9.444 6.063 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.398 -7.474 8.138 1.00 0.00 C ATOM 2087 CG LYS B 68 -6.442 -8.000 9.210 1.00 0.00 C ATOM 2088 CD LYS B 68 -7.203 -8.393 10.478 1.00 0.00 C ATOM 2089 CE LYS B 68 -7.455 -9.902 10.520 1.00 0.00 C ATOM 2090 NZ LYS B 68 -7.341 -10.408 11.906 1.00 0.00 N ATOM 0 H LYS B 68 -6.628 -6.036 6.032 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.396 -8.869 6.918 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -7.401 -6.384 8.152 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -8.414 -7.799 8.361 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -5.898 -8.863 8.826 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -5.701 -7.237 9.448 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -6.633 -8.091 11.357 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -8.153 -7.861 10.516 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -8.447 -10.122 10.127 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -6.737 -10.415 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -7.515 -11.433 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -6.386 -10.215 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -8.042 -9.932 12.508 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.495 -7.508 4.924 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.599 -7.764 4.015 1.00 0.00 C ATOM 2106 C ASN B 69 -10.901 -7.858 4.813 1.00 0.00 C ATOM 2107 O ASN B 69 -11.696 -6.919 4.825 1.00 0.00 O ATOM 2108 CB ASN B 69 -9.405 -9.086 3.270 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.655 -9.452 2.467 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -11.563 -10.110 2.947 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.650 -8.990 1.219 1.00 0.00 N ATOM 0 H ASN B 69 -8.009 -6.625 4.767 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.638 -6.947 3.295 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.548 -9.008 2.600 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -9.181 -9.880 3.983 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -11.439 -9.181 0.601 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.857 -8.445 0.880 1.00 0.00 H new