USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=28 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 :FLIP amide:sc= -3.08! C(o=-6.5!,f=-2.5!) USER MOD Set 1.2: B 48 GLN :FLIP amide:sc= 0.584 F(o=-4.2,f=-2.5) USER MOD Set 2.1: B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 34 HIS : no HE2:sc= -4.16! C(o=-4.2!,f=-5.8!) USER MOD Set 3.1: B 24 GLN : amide:sc= 0.285 X(o=-0.46,f=-0.75) USER MOD Set 3.2: B 25 SER OG : rot 160:sc= -0.75 USER MOD Set 4.1: A 16 GLN : amide:sc= -0.0136 X(o=-0.045,f=-0.031) USER MOD Set 4.2: A 56 SER OG : rot 170:sc= -0.0315 USER MOD Set 5.1: A 46 ASN :FLIP amide:sc= -2.97! C(o=-4.5!,f=-2.5!) USER MOD Set 5.2: A 48 GLN :FLIP amide:sc= 0.478 F(o=-4.2,f=-2.5) USER MOD Set 6.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 34 HIS : no HE2:sc= -4.83! C(o=-4.8!,f=-6.6!) USER MOD Single : A 10 GLN : amide:sc=-0.000915 X(o=-0.00092,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.978 X(o=-0.98,f=-0.49) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.2!) USER MOD Single : A 24 GLN : amide:sc= 0.873 K(o=0.87,f=-0.025) USER MOD Single : A 25 SER OG : rot 180:sc= -0.883 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.334 (180deg=-1.44!) USER MOD Single : A 30 SER OG : rot 180:sc= -1.23 USER MOD Single : A 37 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) 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+ -119:sc= 1.01 (180deg=-1.29) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.7! C(o=-3.2!,f=-1.7!) USER MOD Single : A 58 MET CE :methyl 159:sc= -0.591 (180deg=-2.02!) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -1.32 (180deg=-2.24!) 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 66 MET CE :methyl -148:sc= -4.13! (180deg=-8.08!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.913 K(o=-0.91,f=-2.8!) USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0.066) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -4.05! C(o=-4.1!,f=-4!) USER MOD Single : B 19 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.21) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.2) USER MOD Single : B 27 LYS NZ :NH3+ -144:sc= -0.649 (180deg=-2.17!) USER MOD Single : B 30 SER OG : rot 180:sc= -1.15 USER MOD Single : B 37 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.52) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN :FLIP amide:sc= -1.57 F(o=-2.9!,f=-1.6) USER MOD Single : B 56 SER OG : rot -169:sc= -0.266 USER MOD Single : B 58 MET CE :methyl 159:sc= -0.443 (180deg=-2.07!) 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 66 MET CE :methyl -144:sc= -6.16! (180deg=-9.22!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc=-0.00465 X(o=-0.0046,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -3.106 -15.959 -10.329 1.00 0.00 N ATOM 50 CA ARG A 8 -2.720 -16.351 -8.984 1.00 0.00 C ATOM 51 C ARG A 8 -2.204 -15.139 -8.205 1.00 0.00 C ATOM 52 O ARG A 8 -2.707 -14.029 -8.372 1.00 0.00 O ATOM 53 CB ARG A 8 -1.635 -17.429 -9.014 1.00 0.00 C ATOM 54 CG ARG A 8 -1.942 -18.486 -10.077 1.00 0.00 C ATOM 55 CD ARG A 8 -1.856 -19.896 -9.488 1.00 0.00 C ATOM 56 NE ARG A 8 -2.716 -20.820 -10.261 1.00 0.00 N ATOM 57 CZ ARG A 8 -2.942 -22.096 -9.922 1.00 0.00 C ATOM 58 NH1 ARG A 8 -2.374 -22.608 -8.821 1.00 0.00 N ATOM 59 NH2 ARG A 8 -3.736 -22.861 -10.683 1.00 0.00 N ATOM 0 HA ARG A 8 -3.604 -16.755 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.668 -16.971 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.561 -17.903 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.939 -18.318 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.239 -18.390 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.824 -20.245 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.169 -19.883 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.165 -20.463 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.770 -22.026 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.546 -23.580 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.169 -22.472 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.908 -23.833 -10.425 1.00 0.00 H new ATOM 73 N CYS A 9 -1.206 -15.393 -7.372 1.00 0.00 N ATOM 74 CA CYS A 9 -0.616 -14.336 -6.567 1.00 0.00 C ATOM 75 C CYS A 9 0.309 -13.509 -7.463 1.00 0.00 C ATOM 76 O CYS A 9 1.001 -14.056 -8.319 1.00 0.00 O ATOM 77 CB CYS A 9 0.121 -14.897 -5.349 1.00 0.00 C ATOM 78 SG CYS A 9 -0.964 -15.569 -4.037 1.00 0.00 S ATOM 0 H CYS A 9 -0.791 -16.315 -7.237 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.403 -13.695 -6.170 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.796 -15.685 -5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.739 -14.108 -4.921 1.00 0.00 H new ATOM 83 N GLN A 10 0.289 -12.204 -7.234 1.00 0.00 N ATOM 84 CA GLN A 10 1.117 -11.296 -8.009 1.00 0.00 C ATOM 85 C GLN A 10 2.555 -11.312 -7.487 1.00 0.00 C ATOM 86 O GLN A 10 3.418 -10.608 -8.011 1.00 0.00 O ATOM 87 CB GLN A 10 0.543 -9.878 -7.990 1.00 0.00 C ATOM 88 CG GLN A 10 1.352 -8.947 -8.894 1.00 0.00 C ATOM 89 CD GLN A 10 0.610 -7.629 -9.128 1.00 0.00 C ATOM 90 OE1 GLN A 10 0.321 -7.239 -10.247 1.00 0.00 O ATOM 91 NE2 GLN A 10 0.318 -6.967 -8.012 1.00 0.00 N ATOM 0 H GLN A 10 -0.287 -11.754 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 10 1.123 -11.636 -9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.496 -9.898 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.547 -9.494 -6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.323 -8.747 -8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.542 -9.436 -9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.589 -7.350 -7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.177 -6.077 -8.062 1.00 0.00 H new ATOM 100 N CYS A 11 2.770 -12.123 -6.462 1.00 0.00 N ATOM 101 CA CYS A 11 4.089 -12.240 -5.863 1.00 0.00 C ATOM 102 C CYS A 11 4.500 -13.714 -5.891 1.00 0.00 C ATOM 103 O CYS A 11 3.881 -14.547 -5.230 1.00 0.00 O ATOM 104 CB CYS A 11 4.120 -11.665 -4.446 1.00 0.00 C ATOM 105 SG CYS A 11 4.900 -10.016 -4.303 1.00 0.00 S ATOM 0 H CYS A 11 2.053 -12.706 -6.031 1.00 0.00 H new ATOM 0 HA CYS A 11 4.806 -11.653 -6.437 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.098 -11.601 -4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.653 -12.361 -3.798 1.00 0.00 H new ATOM 110 N LEU A 12 5.541 -13.991 -6.661 1.00 0.00 N ATOM 111 CA LEU A 12 6.042 -15.349 -6.783 1.00 0.00 C ATOM 112 C LEU A 12 6.992 -15.644 -5.621 1.00 0.00 C ATOM 113 O LEU A 12 7.163 -16.798 -5.232 1.00 0.00 O ATOM 114 CB LEU A 12 6.670 -15.567 -8.161 1.00 0.00 C ATOM 115 CG LEU A 12 5.845 -15.087 -9.358 1.00 0.00 C ATOM 116 CD1 LEU A 12 6.734 -14.871 -10.584 1.00 0.00 C ATOM 117 CD2 LEU A 12 4.691 -16.048 -9.648 1.00 0.00 C ATOM 0 H LEU A 12 6.052 -13.297 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 12 5.223 -16.065 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.635 -15.060 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.867 -16.632 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 12 5.405 -14.122 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.124 -14.530 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.491 -14.120 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.222 -15.809 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.121 -15.684 -10.503 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.089 -17.038 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.040 -16.108 -8.776 1.00 0.00 H new ATOM 129 N GLN A 13 7.586 -14.581 -5.100 1.00 0.00 N ATOM 130 CA GLN A 13 8.515 -14.711 -3.990 1.00 0.00 C ATOM 131 C GLN A 13 8.247 -13.628 -2.943 1.00 0.00 C ATOM 132 O GLN A 13 7.486 -12.694 -3.192 1.00 0.00 O ATOM 133 CB GLN A 13 9.964 -14.655 -4.478 1.00 0.00 C ATOM 134 CG GLN A 13 10.906 -15.323 -3.474 1.00 0.00 C ATOM 135 CD GLN A 13 11.727 -14.279 -2.715 1.00 0.00 C ATOM 136 OE1 GLN A 13 11.464 -13.088 -2.764 1.00 0.00 O ATOM 137 NE2 GLN A 13 12.734 -14.789 -2.012 1.00 0.00 N ATOM 0 H GLN A 13 7.442 -13.625 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 13 8.360 -15.685 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.045 -15.152 -5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.262 -13.617 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.328 -15.919 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.575 -16.007 -3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.899 -15.796 -2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.341 -14.174 -1.471 1.00 0.00 H new ATOM 146 N THR A 14 8.886 -13.788 -1.794 1.00 0.00 N ATOM 147 CA THR A 14 8.727 -12.836 -0.709 1.00 0.00 C ATOM 148 C THR A 14 9.951 -12.861 0.208 1.00 0.00 C ATOM 149 O THR A 14 10.698 -13.838 0.225 1.00 0.00 O ATOM 150 CB THR A 14 7.418 -13.159 0.016 1.00 0.00 C ATOM 151 OG1 THR A 14 7.408 -14.582 0.094 1.00 0.00 O ATOM 152 CG2 THR A 14 6.185 -12.823 -0.824 1.00 0.00 C ATOM 0 H THR A 14 9.516 -14.564 -1.591 1.00 0.00 H new ATOM 0 HA THR A 14 8.664 -11.815 -1.086 1.00 0.00 H new ATOM 0 HB THR A 14 7.377 -12.608 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.594 -14.879 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.284 -13.071 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.184 -11.759 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.207 -13.399 -1.749 1.00 0.00 H new ATOM 160 N LEU A 15 10.119 -11.775 0.948 1.00 0.00 N ATOM 161 CA LEU A 15 11.241 -11.660 1.865 1.00 0.00 C ATOM 162 C LEU A 15 10.716 -11.610 3.301 1.00 0.00 C ATOM 163 O LEU A 15 9.509 -11.523 3.522 1.00 0.00 O ATOM 164 CB LEU A 15 12.120 -10.466 1.489 1.00 0.00 C ATOM 165 CG LEU A 15 12.668 -10.459 0.061 1.00 0.00 C ATOM 166 CD1 LEU A 15 13.862 -9.510 -0.064 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.011 -11.876 -0.402 1.00 0.00 C ATOM 0 H LEU A 15 9.497 -10.967 0.931 1.00 0.00 H new ATOM 0 HA LEU A 15 11.886 -12.536 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.543 -9.554 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.962 -10.428 2.180 1.00 0.00 H new ATOM 0 HG LEU A 15 11.888 -10.084 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.232 -9.524 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.551 -8.498 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.654 -9.831 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.398 -11.842 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.765 -12.302 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.114 -12.495 -0.375 1.00 0.00 H new ATOM 179 N GLN A 16 11.649 -11.667 4.240 1.00 0.00 N ATOM 180 CA GLN A 16 11.296 -11.629 5.649 1.00 0.00 C ATOM 181 C GLN A 16 11.868 -10.371 6.306 1.00 0.00 C ATOM 182 O GLN A 16 12.802 -10.452 7.103 1.00 0.00 O ATOM 183 CB GLN A 16 11.777 -12.891 6.369 1.00 0.00 C ATOM 184 CG GLN A 16 11.758 -12.697 7.887 1.00 0.00 C ATOM 185 CD GLN A 16 11.058 -13.867 8.580 1.00 0.00 C ATOM 186 OE1 GLN A 16 11.476 -15.011 8.499 1.00 0.00 O ATOM 187 NE2 GLN A 16 9.972 -13.519 9.264 1.00 0.00 N ATOM 0 H GLN A 16 12.649 -11.739 4.053 1.00 0.00 H new ATOM 0 HA GLN A 16 10.210 -11.596 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.140 -13.733 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.787 -13.137 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.779 -12.608 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.247 -11.766 8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.677 -12.543 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.434 -14.228 9.762 1.00 0.00 H new ATOM 196 N GLY A 17 11.283 -9.237 5.948 1.00 0.00 N ATOM 197 CA GLY A 17 11.723 -7.964 6.493 1.00 0.00 C ATOM 198 C GLY A 17 12.877 -7.386 5.672 1.00 0.00 C ATOM 199 O GLY A 17 14.022 -7.811 5.818 1.00 0.00 O ATOM 0 H GLY A 17 10.508 -9.173 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.890 -7.261 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.039 -8.097 7.528 1.00 0.00 H new ATOM 203 N ILE A 18 12.536 -6.424 4.826 1.00 0.00 N ATOM 204 CA ILE A 18 13.530 -5.783 3.982 1.00 0.00 C ATOM 205 C ILE A 18 13.896 -4.422 4.577 1.00 0.00 C ATOM 206 O ILE A 18 13.094 -3.812 5.282 1.00 0.00 O ATOM 207 CB ILE A 18 13.037 -5.709 2.536 1.00 0.00 C ATOM 208 CG1 ILE A 18 12.802 -7.109 1.965 1.00 0.00 C ATOM 209 CG2 ILE A 18 13.998 -4.891 1.670 1.00 0.00 C ATOM 210 CD1 ILE A 18 12.114 -7.036 0.600 1.00 0.00 C ATOM 0 H ILE A 18 11.586 -6.073 4.707 1.00 0.00 H new ATOM 0 HA ILE A 18 14.445 -6.375 3.953 1.00 0.00 H new ATOM 0 HB ILE A 18 12.077 -5.192 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.754 -7.631 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.189 -7.689 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.624 -4.854 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.072 -3.878 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.983 -5.357 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.959 -8.044 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.152 -6.535 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 18 12.741 -6.476 -0.094 1.00 0.00 H new ATOM 222 N HIS A 19 15.109 -3.985 4.271 1.00 0.00 N ATOM 223 CA HIS A 19 15.592 -2.707 4.766 1.00 0.00 C ATOM 224 C HIS A 19 14.712 -1.580 4.221 1.00 0.00 C ATOM 225 O HIS A 19 14.328 -1.597 3.053 1.00 0.00 O ATOM 226 CB HIS A 19 17.073 -2.518 4.431 1.00 0.00 C ATOM 227 CG HIS A 19 17.901 -1.996 5.580 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.088 -1.308 5.397 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.701 -2.067 6.928 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.572 -0.985 6.587 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.711 -1.457 7.535 1.00 0.00 N ATOM 0 H HIS A 19 15.772 -4.494 3.686 1.00 0.00 H new ATOM 0 HA HIS A 19 15.520 -2.684 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.485 -3.472 4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.160 -1.828 3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.863 -2.540 7.418 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.487 -0.443 6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.825 -1.357 8.544 1.00 0.00 H new ATOM 239 N LEU A 20 14.419 -0.627 5.094 1.00 0.00 N ATOM 240 CA LEU A 20 13.591 0.506 4.715 1.00 0.00 C ATOM 241 C LEU A 20 14.482 1.618 4.159 1.00 0.00 C ATOM 242 O LEU A 20 14.057 2.769 4.064 1.00 0.00 O ATOM 243 CB LEU A 20 12.717 0.947 5.890 1.00 0.00 C ATOM 244 CG LEU A 20 11.930 2.244 5.690 1.00 0.00 C ATOM 245 CD1 LEU A 20 11.233 2.258 4.328 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.946 2.471 6.840 1.00 0.00 C ATOM 0 H LEU A 20 14.740 -0.616 6.062 1.00 0.00 H new ATOM 0 HA LEU A 20 12.899 0.225 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.011 0.147 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.353 1.063 6.767 1.00 0.00 H new ATOM 0 HG LEU A 20 12.634 3.076 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.681 3.191 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.978 2.176 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.542 1.417 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.400 3.399 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.243 1.639 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.494 2.536 7.780 1.00 0.00 H new ATOM 258 N LYS A 21 15.701 1.237 3.806 1.00 0.00 N ATOM 259 CA LYS A 21 16.655 2.188 3.263 1.00 0.00 C ATOM 260 C LYS A 21 16.629 2.113 1.735 1.00 0.00 C ATOM 261 O LYS A 21 17.088 3.031 1.057 1.00 0.00 O ATOM 262 CB LYS A 21 18.042 1.960 3.866 1.00 0.00 C ATOM 263 CG LYS A 21 18.021 2.164 5.383 1.00 0.00 C ATOM 264 CD LYS A 21 18.678 3.491 5.767 1.00 0.00 C ATOM 265 CE LYS A 21 20.179 3.313 6.000 1.00 0.00 C ATOM 266 NZ LYS A 21 20.888 4.599 5.822 1.00 0.00 N ATOM 0 H LYS A 21 16.050 0.282 3.886 1.00 0.00 H new ATOM 0 HA LYS A 21 16.377 3.205 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.381 0.950 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.757 2.647 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.992 2.147 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.543 1.341 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.514 4.224 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.211 3.884 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.354 2.931 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.576 2.573 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 21.906 4.460 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.736 4.948 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.521 5.295 6.503 1.00 0.00 H new ATOM 280 N ASN A 22 16.089 1.010 1.237 1.00 0.00 N ATOM 281 CA ASN A 22 15.997 0.803 -0.198 1.00 0.00 C ATOM 282 C ASN A 22 14.553 1.025 -0.650 1.00 0.00 C ATOM 283 O ASN A 22 14.310 1.658 -1.677 1.00 0.00 O ATOM 284 CB ASN A 22 16.396 -0.625 -0.575 1.00 0.00 C ATOM 285 CG ASN A 22 17.850 -0.682 -1.047 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.217 -0.139 -2.076 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.655 -1.368 -0.240 1.00 0.00 N ATOM 0 H ASN A 22 15.711 0.250 1.802 1.00 0.00 H new ATOM 0 HA ASN A 22 16.673 1.507 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.263 -1.282 0.284 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.739 -0.994 -1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.645 -1.464 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.283 -1.798 0.607 1.00 0.00 H new ATOM 294 N ILE A 23 13.631 0.493 0.139 1.00 0.00 N ATOM 295 CA ILE A 23 12.217 0.626 -0.167 1.00 0.00 C ATOM 296 C ILE A 23 11.873 2.107 -0.339 1.00 0.00 C ATOM 297 O ILE A 23 12.205 2.928 0.515 1.00 0.00 O ATOM 298 CB ILE A 23 11.370 -0.083 0.892 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.279 -1.584 0.607 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.988 0.562 1.012 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.532 -2.399 1.877 1.00 0.00 C ATOM 0 H ILE A 23 13.836 -0.031 0.990 1.00 0.00 H new ATOM 0 HA ILE A 23 11.984 0.133 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 23 11.864 0.033 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.293 -1.823 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.007 -1.858 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.407 0.039 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.098 1.608 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.473 0.499 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.462 -3.462 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.528 -2.176 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.787 -2.140 2.630 1.00 0.00 H new ATOM 313 N GLN A 24 11.212 2.403 -1.448 1.00 0.00 N ATOM 314 CA GLN A 24 10.820 3.771 -1.742 1.00 0.00 C ATOM 315 C GLN A 24 9.295 3.901 -1.726 1.00 0.00 C ATOM 316 O GLN A 24 8.764 4.996 -1.549 1.00 0.00 O ATOM 317 CB GLN A 24 11.395 4.229 -3.084 1.00 0.00 C ATOM 318 CG GLN A 24 11.822 5.697 -3.025 1.00 0.00 C ATOM 319 CD GLN A 24 10.947 6.560 -3.936 1.00 0.00 C ATOM 320 OE1 GLN A 24 11.389 7.096 -4.939 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.684 6.665 -3.532 1.00 0.00 N ATOM 0 H GLN A 24 10.938 1.719 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 24 11.229 4.420 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.251 3.608 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.650 4.095 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.752 6.059 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.866 5.788 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.379 6.190 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.020 7.220 -4.072 1.00 0.00 H new ATOM 330 N SER A 25 8.634 2.768 -1.913 1.00 0.00 N ATOM 331 CA SER A 25 7.182 2.742 -1.922 1.00 0.00 C ATOM 332 C SER A 25 6.680 1.374 -1.453 1.00 0.00 C ATOM 333 O SER A 25 7.421 0.393 -1.486 1.00 0.00 O ATOM 334 CB SER A 25 6.633 3.059 -3.315 1.00 0.00 C ATOM 335 OG SER A 25 7.649 3.536 -4.192 1.00 0.00 O ATOM 0 H SER A 25 9.078 1.861 -2.059 1.00 0.00 H new ATOM 0 HA SER A 25 6.823 3.509 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.179 2.163 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.844 3.807 -3.233 1.00 0.00 H new ATOM 0 HG SER A 25 7.260 3.726 -5.071 1.00 0.00 H new ATOM 341 N VAL A 26 5.426 1.354 -1.027 1.00 0.00 N ATOM 342 CA VAL A 26 4.817 0.123 -0.552 1.00 0.00 C ATOM 343 C VAL A 26 3.484 -0.092 -1.271 1.00 0.00 C ATOM 344 O VAL A 26 2.682 0.833 -1.391 1.00 0.00 O ATOM 345 CB VAL A 26 4.674 0.164 0.971 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.720 -0.927 1.462 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.039 0.045 1.653 1.00 0.00 C ATOM 0 H VAL A 26 4.815 2.170 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 26 5.453 -0.732 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 26 4.247 1.130 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.636 -0.876 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.737 -0.779 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.106 -1.905 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.909 0.077 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.506 -0.899 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.676 0.872 1.339 1.00 0.00 H new ATOM 357 N LYS A 27 3.288 -1.319 -1.733 1.00 0.00 N ATOM 358 CA LYS A 27 2.066 -1.667 -2.437 1.00 0.00 C ATOM 359 C LYS A 27 1.434 -2.895 -1.778 1.00 0.00 C ATOM 360 O LYS A 27 2.076 -3.937 -1.655 1.00 0.00 O ATOM 361 CB LYS A 27 2.341 -1.845 -3.932 1.00 0.00 C ATOM 362 CG LYS A 27 1.048 -1.746 -4.743 1.00 0.00 C ATOM 363 CD LYS A 27 0.064 -2.848 -4.344 1.00 0.00 C ATOM 364 CE LYS A 27 -0.709 -3.360 -5.560 1.00 0.00 C ATOM 365 NZ LYS A 27 -0.988 -2.252 -6.501 1.00 0.00 N ATOM 0 H LYS A 27 3.955 -2.084 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 27 1.341 -0.857 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.045 -1.084 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.811 -2.813 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.590 -0.770 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.275 -1.824 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.605 -3.672 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.634 -2.465 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.133 -4.137 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.645 -3.816 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.847 -2.467 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.128 -1.370 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.185 -2.139 -7.152 1.00 0.00 H new ATOM 379 N VAL A 28 0.185 -2.731 -1.370 1.00 0.00 N ATOM 380 CA VAL A 28 -0.541 -3.812 -0.726 1.00 0.00 C ATOM 381 C VAL A 28 -1.682 -4.269 -1.637 1.00 0.00 C ATOM 382 O VAL A 28 -2.554 -3.477 -1.991 1.00 0.00 O ATOM 383 CB VAL A 28 -1.022 -3.369 0.657 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.535 -3.142 0.665 1.00 0.00 C ATOM 385 CG2 VAL A 28 -0.613 -4.382 1.730 1.00 0.00 C ATOM 0 H VAL A 28 -0.344 -1.865 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 28 0.113 -4.670 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.540 -2.420 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.851 -2.828 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.791 -2.367 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.043 -4.069 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.967 -4.043 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.053 -5.352 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.473 -4.472 1.750 1.00 0.00 H new ATOM 395 N LYS A 29 -1.639 -5.545 -1.992 1.00 0.00 N ATOM 396 CA LYS A 29 -2.658 -6.117 -2.855 1.00 0.00 C ATOM 397 C LYS A 29 -3.275 -7.337 -2.170 1.00 0.00 C ATOM 398 O LYS A 29 -2.741 -8.442 -2.262 1.00 0.00 O ATOM 399 CB LYS A 29 -2.081 -6.415 -4.240 1.00 0.00 C ATOM 400 CG LYS A 29 -3.187 -6.462 -5.297 1.00 0.00 C ATOM 401 CD LYS A 29 -3.762 -7.874 -5.426 1.00 0.00 C ATOM 402 CE LYS A 29 -3.860 -8.294 -6.894 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.557 -9.594 -7.016 1.00 0.00 N ATOM 0 H LYS A 29 -0.914 -6.199 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.464 -5.402 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.351 -5.650 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.552 -7.368 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.981 -5.765 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.790 -6.138 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.131 -8.578 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.750 -7.912 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.396 -7.533 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.861 -8.368 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.615 -9.864 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.030 -10.321 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.517 -9.512 -6.624 1.00 0.00 H new ATOM 417 N SER A 30 -4.391 -7.097 -1.497 1.00 0.00 N ATOM 418 CA SER A 30 -5.087 -8.163 -0.796 1.00 0.00 C ATOM 419 C SER A 30 -5.349 -9.331 -1.749 1.00 0.00 C ATOM 420 O SER A 30 -5.056 -9.243 -2.940 1.00 0.00 O ATOM 421 CB SER A 30 -6.402 -7.662 -0.196 1.00 0.00 C ATOM 422 OG SER A 30 -7.536 -8.236 -0.840 1.00 0.00 O ATOM 0 H SER A 30 -4.831 -6.180 -1.422 1.00 0.00 H new ATOM 0 HA SER A 30 -4.453 -8.505 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.430 -7.901 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.448 -6.576 -0.280 1.00 0.00 H new ATOM 0 HG SER A 30 -8.356 -7.892 -0.427 1.00 0.00 H new ATOM 428 N PRO A 31 -5.914 -10.427 -1.173 1.00 0.00 N ATOM 429 CA PRO A 31 -6.219 -11.611 -1.958 1.00 0.00 C ATOM 430 C PRO A 31 -7.458 -11.388 -2.828 1.00 0.00 C ATOM 431 O PRO A 31 -8.116 -10.354 -2.723 1.00 0.00 O ATOM 432 CB PRO A 31 -6.403 -12.723 -0.938 1.00 0.00 C ATOM 433 CG PRO A 31 -6.653 -12.030 0.392 1.00 0.00 C ATOM 434 CD PRO A 31 -6.274 -10.567 0.234 1.00 0.00 C ATOM 0 HA PRO A 31 -5.427 -11.863 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.241 -13.366 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.518 -13.358 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.700 -12.124 0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.062 -12.494 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.105 -9.912 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.440 -10.301 0.884 1.00 0.00 H new ATOM 442 N GLY A 32 -7.737 -12.374 -3.668 1.00 0.00 N ATOM 443 CA GLY A 32 -8.885 -12.298 -4.556 1.00 0.00 C ATOM 444 C GLY A 32 -9.494 -13.683 -4.784 1.00 0.00 C ATOM 445 O GLY A 32 -9.246 -14.609 -4.013 1.00 0.00 O ATOM 0 H GLY A 32 -7.188 -13.230 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.636 -11.632 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.583 -11.868 -5.511 1.00 0.00 H new ATOM 449 N PRO A 33 -10.299 -13.784 -5.876 1.00 0.00 N ATOM 450 CA PRO A 33 -10.945 -15.040 -6.216 1.00 0.00 C ATOM 451 C PRO A 33 -9.943 -16.026 -6.821 1.00 0.00 C ATOM 452 O PRO A 33 -10.310 -17.139 -7.194 1.00 0.00 O ATOM 453 CB PRO A 33 -12.060 -14.661 -7.177 1.00 0.00 C ATOM 454 CG PRO A 33 -11.708 -13.279 -7.700 1.00 0.00 C ATOM 455 CD PRO A 33 -10.614 -12.708 -6.812 1.00 0.00 C ATOM 0 HA PRO A 33 -11.347 -15.556 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.134 -15.380 -7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.025 -14.653 -6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.368 -13.338 -8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.585 -12.632 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.739 -12.422 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.954 -11.815 -6.289 1.00 0.00 H new ATOM 463 N HIS A 34 -8.698 -15.581 -6.899 1.00 0.00 N ATOM 464 CA HIS A 34 -7.640 -16.410 -7.453 1.00 0.00 C ATOM 465 C HIS A 34 -6.672 -16.817 -6.340 1.00 0.00 C ATOM 466 O HIS A 34 -6.367 -17.998 -6.180 1.00 0.00 O ATOM 467 CB HIS A 34 -6.943 -15.698 -8.614 1.00 0.00 C ATOM 468 CG HIS A 34 -6.935 -14.192 -8.495 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.087 -13.428 -8.566 1.00 0.00 N ATOM 470 CD2 HIS A 34 -5.904 -13.319 -8.308 1.00 0.00 C ATOM 471 CE1 HIS A 34 -7.752 -12.154 -8.428 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.399 -12.088 -8.269 1.00 0.00 N ATOM 0 H HIS A 34 -8.397 -14.657 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.068 -17.323 -7.868 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.914 -16.053 -8.679 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.436 -15.976 -9.546 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.033 -13.785 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.862 -13.584 -8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.431 -11.314 -8.439 1.00 0.00 H new ATOM 480 N CYS A 35 -6.217 -15.817 -5.600 1.00 0.00 N ATOM 481 CA CYS A 35 -5.290 -16.057 -4.507 1.00 0.00 C ATOM 482 C CYS A 35 -5.973 -15.651 -3.200 1.00 0.00 C ATOM 483 O CYS A 35 -6.431 -14.518 -3.060 1.00 0.00 O ATOM 484 CB CYS A 35 -3.968 -15.315 -4.714 1.00 0.00 C ATOM 485 SG CYS A 35 -2.512 -16.395 -4.963 1.00 0.00 S ATOM 0 H CYS A 35 -6.473 -14.839 -5.736 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.035 -17.116 -4.469 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.068 -14.658 -5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.786 -14.678 -3.849 1.00 0.00 H new ATOM 490 N ALA A 36 -6.021 -16.599 -2.275 1.00 0.00 N ATOM 491 CA ALA A 36 -6.641 -16.355 -0.984 1.00 0.00 C ATOM 492 C ALA A 36 -5.569 -15.919 0.017 1.00 0.00 C ATOM 493 O ALA A 36 -5.738 -16.085 1.224 1.00 0.00 O ATOM 494 CB ALA A 36 -7.386 -17.612 -0.530 1.00 0.00 C ATOM 0 H ALA A 36 -5.640 -17.538 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.373 -15.550 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.851 -17.429 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.155 -17.863 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.683 -18.441 -0.444 1.00 0.00 H new ATOM 500 N GLN A 37 -4.490 -15.370 -0.521 1.00 0.00 N ATOM 501 CA GLN A 37 -3.391 -14.909 0.310 1.00 0.00 C ATOM 502 C GLN A 37 -3.035 -13.461 -0.036 1.00 0.00 C ATOM 503 O GLN A 37 -3.372 -12.977 -1.115 1.00 0.00 O ATOM 504 CB GLN A 37 -2.173 -15.823 0.165 1.00 0.00 C ATOM 505 CG GLN A 37 -2.574 -17.294 0.287 1.00 0.00 C ATOM 506 CD GLN A 37 -2.056 -18.105 -0.903 1.00 0.00 C ATOM 507 OE1 GLN A 37 -0.875 -18.385 -1.029 1.00 0.00 O ATOM 508 NE2 GLN A 37 -3.002 -18.464 -1.766 1.00 0.00 N ATOM 0 H GLN A 37 -4.353 -15.234 -1.523 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.709 -14.945 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.698 -15.651 -0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.437 -15.578 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.176 -17.707 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.660 -17.375 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.972 -18.196 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.757 -19.007 -2.594 1.00 0.00 H new ATOM 517 N THR A 38 -2.359 -12.812 0.900 1.00 0.00 N ATOM 518 CA THR A 38 -1.954 -11.430 0.708 1.00 0.00 C ATOM 519 C THR A 38 -0.754 -11.353 -0.239 1.00 0.00 C ATOM 520 O THR A 38 -0.068 -12.349 -0.459 1.00 0.00 O ATOM 521 CB THR A 38 -1.681 -10.821 2.085 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.857 -11.117 2.834 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.637 -9.292 2.051 1.00 0.00 C ATOM 0 H THR A 38 -2.081 -13.218 1.794 1.00 0.00 H new ATOM 0 HA THR A 38 -2.743 -10.849 0.231 1.00 0.00 H new ATOM 0 HB THR A 38 -0.735 -11.203 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.765 -10.759 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.440 -8.911 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.845 -8.966 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.594 -8.908 1.698 1.00 0.00 H new ATOM 531 N GLU A 39 -0.539 -10.160 -0.773 1.00 0.00 N ATOM 532 CA GLU A 39 0.566 -9.939 -1.691 1.00 0.00 C ATOM 533 C GLU A 39 1.119 -8.522 -1.525 1.00 0.00 C ATOM 534 O GLU A 39 0.638 -7.586 -2.162 1.00 0.00 O ATOM 535 CB GLU A 39 0.137 -10.195 -3.137 1.00 0.00 C ATOM 536 CG GLU A 39 0.192 -11.688 -3.469 1.00 0.00 C ATOM 537 CD GLU A 39 -1.178 -12.201 -3.917 1.00 0.00 C ATOM 538 OE1 GLU A 39 -1.570 -11.855 -5.052 1.00 0.00 O ATOM 539 OE2 GLU A 39 -1.802 -12.927 -3.113 1.00 0.00 O ATOM 0 H GLU A 39 -1.111 -9.336 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 39 1.359 -10.647 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.875 -9.822 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.787 -9.644 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.925 -11.862 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.525 -12.247 -2.594 1.00 0.00 H new ATOM 546 N VAL A 40 2.123 -8.409 -0.668 1.00 0.00 N ATOM 547 CA VAL A 40 2.746 -7.122 -0.411 1.00 0.00 C ATOM 548 C VAL A 40 3.889 -6.907 -1.405 1.00 0.00 C ATOM 549 O VAL A 40 4.768 -7.756 -1.539 1.00 0.00 O ATOM 550 CB VAL A 40 3.200 -7.042 1.048 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.908 -5.716 1.331 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.020 -7.249 2.001 1.00 0.00 C ATOM 0 H VAL A 40 2.520 -9.188 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 40 2.029 -6.314 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 40 3.916 -7.846 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.220 -5.686 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.783 -5.626 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.226 -4.890 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.370 -7.187 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.271 -6.477 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.578 -8.230 1.826 1.00 0.00 H new ATOM 562 N ILE A 41 3.840 -5.765 -2.076 1.00 0.00 N ATOM 563 CA ILE A 41 4.860 -5.427 -3.053 1.00 0.00 C ATOM 564 C ILE A 41 5.383 -4.017 -2.771 1.00 0.00 C ATOM 565 O ILE A 41 4.648 -3.040 -2.906 1.00 0.00 O ATOM 566 CB ILE A 41 4.323 -5.611 -4.474 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.647 -6.975 -4.632 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.428 -5.395 -5.510 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.165 -6.815 -4.977 1.00 0.00 C ATOM 0 H ILE A 41 3.109 -5.062 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 41 5.709 -6.105 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 41 3.562 -4.852 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.147 -7.544 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.750 -7.545 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.020 -5.532 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.824 -4.384 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.229 -6.115 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.708 -7.799 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.663 -6.266 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.067 -6.266 -5.913 1.00 0.00 H new ATOM 581 N ALA A 42 6.649 -3.956 -2.386 1.00 0.00 N ATOM 582 CA ALA A 42 7.279 -2.682 -2.084 1.00 0.00 C ATOM 583 C ALA A 42 8.201 -2.287 -3.239 1.00 0.00 C ATOM 584 O ALA A 42 8.920 -3.127 -3.779 1.00 0.00 O ATOM 585 CB ALA A 42 8.025 -2.784 -0.752 1.00 0.00 C ATOM 0 H ALA A 42 7.256 -4.768 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 42 6.528 -1.899 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.498 -1.828 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.321 -3.038 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.788 -3.559 -0.821 1.00 0.00 H new ATOM 591 N THR A 43 8.151 -1.009 -3.584 1.00 0.00 N ATOM 592 CA THR A 43 8.973 -0.493 -4.666 1.00 0.00 C ATOM 593 C THR A 43 10.349 -0.080 -4.139 1.00 0.00 C ATOM 594 O THR A 43 10.460 0.467 -3.043 1.00 0.00 O ATOM 595 CB THR A 43 8.209 0.652 -5.335 1.00 0.00 C ATOM 596 OG1 THR A 43 7.160 0.001 -6.046 1.00 0.00 O ATOM 597 CG2 THR A 43 9.028 1.341 -6.428 1.00 0.00 C ATOM 0 H THR A 43 7.554 -0.315 -3.134 1.00 0.00 H new ATOM 0 HA THR A 43 9.164 -1.258 -5.418 1.00 0.00 H new ATOM 0 HB THR A 43 7.920 1.384 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.614 0.670 -6.508 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.440 2.145 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.939 1.753 -5.995 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.289 0.616 -7.199 1.00 0.00 H new ATOM 605 N LEU A 44 11.363 -0.357 -4.946 1.00 0.00 N ATOM 606 CA LEU A 44 12.727 -0.021 -4.575 1.00 0.00 C ATOM 607 C LEU A 44 13.049 1.394 -5.059 1.00 0.00 C ATOM 608 O LEU A 44 12.514 1.845 -6.071 1.00 0.00 O ATOM 609 CB LEU A 44 13.700 -1.084 -5.092 1.00 0.00 C ATOM 610 CG LEU A 44 14.718 -1.611 -4.078 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.339 -2.924 -4.558 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.780 -0.554 -3.768 1.00 0.00 C ATOM 0 H LEU A 44 11.267 -0.810 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 44 12.838 -0.020 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.120 -1.927 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.244 -0.669 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 44 14.194 -1.824 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.059 -3.277 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.556 -3.671 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.846 -2.761 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.491 -0.954 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.306 -0.287 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.301 0.333 -3.353 1.00 0.00 H new ATOM 624 N LYS A 45 13.921 2.056 -4.313 1.00 0.00 N ATOM 625 CA LYS A 45 14.320 3.411 -4.653 1.00 0.00 C ATOM 626 C LYS A 45 15.254 3.374 -5.864 1.00 0.00 C ATOM 627 O LYS A 45 15.649 4.419 -6.380 1.00 0.00 O ATOM 628 CB LYS A 45 14.920 4.115 -3.434 1.00 0.00 C ATOM 629 CG LYS A 45 15.213 5.585 -3.738 1.00 0.00 C ATOM 630 CD LYS A 45 16.676 5.781 -4.141 1.00 0.00 C ATOM 631 CE LYS A 45 17.348 6.842 -3.266 1.00 0.00 C ATOM 632 NZ LYS A 45 18.755 7.039 -3.679 1.00 0.00 N ATOM 0 H LYS A 45 14.362 1.679 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 45 13.451 4.004 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.230 4.045 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.839 3.612 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.562 5.931 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.989 6.193 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.212 4.836 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.732 6.079 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.805 7.784 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.309 6.537 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.196 7.762 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.274 6.143 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.785 7.351 -4.671 1.00 0.00 H new ATOM 646 N ASN A 46 15.581 2.160 -6.282 1.00 0.00 N ATOM 647 CA ASN A 46 16.461 1.974 -7.423 1.00 0.00 C ATOM 648 C ASN A 46 15.619 1.718 -8.675 1.00 0.00 C ATOM 649 O ASN A 46 16.146 1.690 -9.786 1.00 0.00 O ATOM 650 CB ASN A 46 17.382 0.769 -7.217 1.00 0.00 C ATOM 651 CG ASN A 46 17.558 -0.015 -8.519 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.059 -1.247 -8.481 1.00 0.00 O flip ATOM 653 ND2 ASN A 46 18.111 0.467 -9.494 1.00 0.00 N flip ATOM 0 H ASN A 46 15.252 1.296 -5.851 1.00 0.00 H new ATOM 0 HA ASN A 46 17.065 2.875 -7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.354 1.107 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.967 0.117 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.472 1.420 -9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.212 -0.083 -10.347 1.00 0.00 H new ATOM 660 N GLY A 47 14.326 1.537 -8.452 1.00 0.00 N ATOM 661 CA GLY A 47 13.406 1.283 -9.548 1.00 0.00 C ATOM 662 C GLY A 47 12.968 -0.182 -9.569 1.00 0.00 C ATOM 663 O GLY A 47 12.191 -0.590 -10.431 1.00 0.00 O ATOM 0 H GLY A 47 13.893 1.561 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.531 1.926 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.884 1.537 -10.494 1.00 0.00 H new ATOM 667 N GLN A 48 13.486 -0.935 -8.610 1.00 0.00 N ATOM 668 CA GLN A 48 13.158 -2.347 -8.507 1.00 0.00 C ATOM 669 C GLN A 48 12.004 -2.554 -7.524 1.00 0.00 C ATOM 670 O GLN A 48 11.393 -1.589 -7.067 1.00 0.00 O ATOM 671 CB GLN A 48 14.383 -3.166 -8.095 1.00 0.00 C ATOM 672 CG GLN A 48 15.224 -3.547 -9.315 1.00 0.00 C ATOM 673 CD GLN A 48 16.516 -4.250 -8.892 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.343 -5.507 -8.494 1.00 0.00 O flip ATOM 675 NE2 GLN A 48 17.598 -3.687 -8.926 1.00 0.00 N flip ATOM 0 H GLN A 48 14.131 -0.594 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 48 12.840 -2.698 -9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.990 -2.592 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.063 -4.068 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.647 -4.201 -9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.464 -2.652 -9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.660 -2.719 -9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.441 -4.184 -8.638 1.00 0.00 H new ATOM 684 N LYS A 49 11.741 -3.818 -7.227 1.00 0.00 N ATOM 685 CA LYS A 49 10.671 -4.163 -6.307 1.00 0.00 C ATOM 686 C LYS A 49 11.097 -5.370 -5.467 1.00 0.00 C ATOM 687 O LYS A 49 11.809 -6.248 -5.951 1.00 0.00 O ATOM 688 CB LYS A 49 9.359 -4.374 -7.065 1.00 0.00 C ATOM 689 CG LYS A 49 9.011 -3.147 -7.910 1.00 0.00 C ATOM 690 CD LYS A 49 9.633 -3.247 -9.305 1.00 0.00 C ATOM 691 CE LYS A 49 9.641 -1.885 -10.000 1.00 0.00 C ATOM 692 NZ LYS A 49 10.277 -1.987 -11.333 1.00 0.00 N ATOM 0 H LYS A 49 12.250 -4.616 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 49 10.484 -3.342 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.443 -5.251 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.554 -4.573 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.928 -3.056 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.368 -2.245 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.652 -3.625 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.073 -3.963 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.620 -1.518 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.179 -1.161 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.115 -1.372 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.563 -2.972 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.600 -1.689 -12.064 1.00 0.00 H new ATOM 706 N ALA A 50 10.642 -5.374 -4.222 1.00 0.00 N ATOM 707 CA ALA A 50 10.966 -6.457 -3.311 1.00 0.00 C ATOM 708 C ALA A 50 9.683 -6.960 -2.645 1.00 0.00 C ATOM 709 O ALA A 50 9.083 -6.255 -1.835 1.00 0.00 O ATOM 710 CB ALA A 50 12.001 -5.975 -2.292 1.00 0.00 C ATOM 0 H ALA A 50 10.052 -4.644 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 50 11.406 -7.294 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.244 -6.788 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.904 -5.657 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.593 -5.136 -1.728 1.00 0.00 H new ATOM 716 N CYS A 51 9.301 -8.174 -3.013 1.00 0.00 N ATOM 717 CA CYS A 51 8.100 -8.779 -2.462 1.00 0.00 C ATOM 718 C CYS A 51 8.345 -9.068 -0.979 1.00 0.00 C ATOM 719 O CYS A 51 9.397 -9.588 -0.610 1.00 0.00 O ATOM 720 CB CYS A 51 7.697 -10.039 -3.230 1.00 0.00 C ATOM 721 SG CYS A 51 6.695 -9.735 -4.731 1.00 0.00 S ATOM 0 H CYS A 51 9.802 -8.755 -3.686 1.00 0.00 H new ATOM 0 HA CYS A 51 7.263 -8.089 -2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.600 -10.578 -3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.135 -10.691 -2.561 1.00 0.00 H new ATOM 726 N LEU A 52 7.356 -8.719 -0.170 1.00 0.00 N ATOM 727 CA LEU A 52 7.451 -8.935 1.264 1.00 0.00 C ATOM 728 C LEU A 52 6.467 -10.032 1.676 1.00 0.00 C ATOM 729 O LEU A 52 5.556 -10.370 0.921 1.00 0.00 O ATOM 730 CB LEU A 52 7.256 -7.618 2.018 1.00 0.00 C ATOM 731 CG LEU A 52 8.272 -6.515 1.716 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.746 -5.149 2.159 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.631 -6.836 2.339 1.00 0.00 C ATOM 0 H LEU A 52 6.485 -8.288 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 52 8.448 -9.284 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.259 -7.238 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.284 -7.827 3.087 1.00 0.00 H new ATOM 0 HG LEU A 52 8.416 -6.469 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.488 -4.383 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.820 -4.926 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.555 -5.163 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.335 -6.036 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.524 -6.925 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.005 -7.776 1.933 1.00 0.00 H new ATOM 745 N ASN A 53 6.683 -10.557 2.873 1.00 0.00 N ATOM 746 CA ASN A 53 5.827 -11.608 3.395 1.00 0.00 C ATOM 747 C ASN A 53 4.828 -11.003 4.384 1.00 0.00 C ATOM 748 O ASN A 53 5.224 -10.381 5.368 1.00 0.00 O ATOM 749 CB ASN A 53 6.644 -12.667 4.137 1.00 0.00 C ATOM 750 CG ASN A 53 5.906 -14.007 4.169 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.815 -14.546 5.381 1.00 0.00 O flip ATOM 752 ND2 ASN A 53 5.450 -14.518 3.159 1.00 0.00 N flip ATOM 0 H ASN A 53 7.439 -10.274 3.496 1.00 0.00 H new ATOM 0 HA ASN A 53 5.314 -12.073 2.553 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.611 -12.792 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.841 -12.332 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.555 -14.050 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.964 -15.413 3.215 1.00 0.00 H new ATOM 759 N PRO A 54 3.519 -11.212 4.080 1.00 0.00 N ATOM 760 CA PRO A 54 2.461 -10.694 4.930 1.00 0.00 C ATOM 761 C PRO A 54 2.332 -11.523 6.210 1.00 0.00 C ATOM 762 O PRO A 54 1.557 -11.178 7.101 1.00 0.00 O ATOM 763 CB PRO A 54 1.210 -10.733 4.069 1.00 0.00 C ATOM 764 CG PRO A 54 1.514 -11.697 2.934 1.00 0.00 C ATOM 765 CD PRO A 54 3.014 -11.944 2.922 1.00 0.00 C ATOM 0 HA PRO A 54 2.658 -9.679 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.349 -11.069 4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.969 -9.742 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.974 -12.633 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.188 -11.280 1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.241 -13.008 2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.467 -11.585 1.998 1.00 0.00 H new ATOM 773 N ALA A 55 3.103 -12.599 6.261 1.00 0.00 N ATOM 774 CA ALA A 55 3.084 -13.479 7.417 1.00 0.00 C ATOM 775 C ALA A 55 4.275 -13.153 8.320 1.00 0.00 C ATOM 776 O ALA A 55 4.587 -13.909 9.239 1.00 0.00 O ATOM 777 CB ALA A 55 3.089 -14.936 6.950 1.00 0.00 C ATOM 0 H ALA A 55 3.745 -12.881 5.520 1.00 0.00 H new ATOM 0 HA ALA A 55 2.176 -13.326 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.075 -15.596 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.208 -15.124 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.988 -15.127 6.363 1.00 0.00 H new ATOM 783 N SER A 56 4.908 -12.026 8.027 1.00 0.00 N ATOM 784 CA SER A 56 6.058 -11.591 8.801 1.00 0.00 C ATOM 785 C SER A 56 5.682 -10.384 9.663 1.00 0.00 C ATOM 786 O SER A 56 4.922 -9.520 9.229 1.00 0.00 O ATOM 787 CB SER A 56 7.237 -11.246 7.889 1.00 0.00 C ATOM 788 OG SER A 56 8.235 -10.489 8.570 1.00 0.00 O ATOM 0 H SER A 56 4.646 -11.401 7.264 1.00 0.00 H new ATOM 0 HA SER A 56 6.364 -12.412 9.450 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.679 -12.165 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.877 -10.681 7.029 1.00 0.00 H new ATOM 0 HG SER A 56 9.037 -10.426 8.010 1.00 0.00 H new ATOM 794 N PRO A 57 6.247 -10.363 10.900 1.00 0.00 N ATOM 795 CA PRO A 57 5.978 -9.276 11.827 1.00 0.00 C ATOM 796 C PRO A 57 6.737 -8.011 11.422 1.00 0.00 C ATOM 797 O PRO A 57 6.219 -6.903 11.556 1.00 0.00 O ATOM 798 CB PRO A 57 6.395 -9.808 13.188 1.00 0.00 C ATOM 799 CG PRO A 57 7.309 -10.992 12.912 1.00 0.00 C ATOM 800 CD PRO A 57 7.151 -11.370 11.448 1.00 0.00 C ATOM 0 HA PRO A 57 4.929 -8.979 11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.913 -9.042 13.765 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.526 -10.113 13.771 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.345 -10.734 13.130 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.048 -11.833 13.554 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.111 -11.363 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.738 -12.373 11.340 1.00 0.00 H new ATOM 808 N MET A 58 7.951 -8.218 10.934 1.00 0.00 N ATOM 809 CA MET A 58 8.785 -7.107 10.508 1.00 0.00 C ATOM 810 C MET A 58 8.220 -6.448 9.248 1.00 0.00 C ATOM 811 O MET A 58 8.463 -5.268 8.998 1.00 0.00 O ATOM 812 CB MET A 58 10.203 -7.611 10.229 1.00 0.00 C ATOM 813 CG MET A 58 11.247 -6.577 10.658 1.00 0.00 C ATOM 814 SD MET A 58 11.123 -6.278 12.413 1.00 0.00 S ATOM 815 CE MET A 58 11.029 -7.958 13.009 1.00 0.00 C ATOM 0 H MET A 58 8.377 -9.138 10.824 1.00 0.00 H new ATOM 0 HA MET A 58 8.804 -6.365 11.306 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.372 -8.546 10.762 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.314 -7.826 9.166 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.247 -6.934 10.411 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.096 -5.647 10.111 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.318 -7.988 14.060 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.008 -8.325 12.903 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.703 -8.588 12.429 1.00 0.00 H new ATOM 825 N VAL A 59 7.478 -7.239 8.487 1.00 0.00 N ATOM 826 CA VAL A 59 6.876 -6.747 7.260 1.00 0.00 C ATOM 827 C VAL A 59 5.754 -5.766 7.604 1.00 0.00 C ATOM 828 O VAL A 59 5.232 -5.081 6.725 1.00 0.00 O ATOM 829 CB VAL A 59 6.401 -7.922 6.402 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.381 -7.462 5.359 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.584 -8.629 5.738 1.00 0.00 C ATOM 0 H VAL A 59 7.280 -8.217 8.697 1.00 0.00 H new ATOM 0 HA VAL A 59 7.611 -6.204 6.666 1.00 0.00 H new ATOM 0 HB VAL A 59 5.908 -8.639 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.060 -8.316 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.518 -7.025 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.837 -6.716 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.219 -9.460 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.118 -7.924 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.259 -9.007 6.506 1.00 0.00 H new ATOM 841 N LYS A 60 5.417 -5.728 8.885 1.00 0.00 N ATOM 842 CA LYS A 60 4.366 -4.842 9.356 1.00 0.00 C ATOM 843 C LYS A 60 4.997 -3.639 10.060 1.00 0.00 C ATOM 844 O LYS A 60 4.289 -2.792 10.603 1.00 0.00 O ATOM 845 CB LYS A 60 3.368 -5.609 10.225 1.00 0.00 C ATOM 846 CG LYS A 60 3.167 -7.034 9.703 1.00 0.00 C ATOM 847 CD LYS A 60 2.467 -7.026 8.343 1.00 0.00 C ATOM 848 CE LYS A 60 0.946 -6.991 8.510 1.00 0.00 C ATOM 849 NZ LYS A 60 0.423 -5.638 8.217 1.00 0.00 N ATOM 0 H LYS A 60 5.853 -6.296 9.611 1.00 0.00 H new ATOM 0 HA LYS A 60 3.790 -4.454 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.727 -5.642 11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.413 -5.084 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.132 -7.533 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.575 -7.607 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.793 -6.160 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.754 -7.912 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.484 -7.718 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.679 -7.278 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.593 -5.698 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.566 -5.024 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.928 -5.240 7.399 1.00 0.00 H new ATOM 863 N LYS A 61 6.321 -3.602 10.028 1.00 0.00 N ATOM 864 CA LYS A 61 7.055 -2.517 10.656 1.00 0.00 C ATOM 865 C LYS A 61 7.827 -1.743 9.586 1.00 0.00 C ATOM 866 O LYS A 61 8.281 -0.626 9.829 1.00 0.00 O ATOM 867 CB LYS A 61 7.938 -3.051 11.786 1.00 0.00 C ATOM 868 CG LYS A 61 7.088 -3.620 12.924 1.00 0.00 C ATOM 869 CD LYS A 61 7.542 -3.066 14.276 1.00 0.00 C ATOM 870 CE LYS A 61 6.765 -3.717 15.423 1.00 0.00 C ATOM 871 NZ LYS A 61 6.494 -2.729 16.491 1.00 0.00 N ATOM 0 H LYS A 61 6.905 -4.306 9.577 1.00 0.00 H new ATOM 0 HA LYS A 61 6.367 -1.813 11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.600 -3.826 11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.572 -2.250 12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.039 -3.372 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.161 -4.708 12.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.609 -3.245 14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.395 -1.986 14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.826 -4.124 15.049 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.335 -4.553 15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.966 -3.187 17.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.394 -2.360 16.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.931 -1.945 16.104 1.00 0.00 H new ATOM 885 N ILE A 62 7.951 -2.367 8.424 1.00 0.00 N ATOM 886 CA ILE A 62 8.660 -1.750 7.315 1.00 0.00 C ATOM 887 C ILE A 62 7.660 -1.015 6.421 1.00 0.00 C ATOM 888 O ILE A 62 8.047 -0.174 5.611 1.00 0.00 O ATOM 889 CB ILE A 62 9.501 -2.790 6.572 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.462 -3.502 7.526 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.234 -2.157 5.387 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.723 -4.939 7.069 1.00 0.00 C ATOM 0 H ILE A 62 7.573 -3.293 8.226 1.00 0.00 H new ATOM 0 HA ILE A 62 9.367 -1.005 7.682 1.00 0.00 H new ATOM 0 HB ILE A 62 8.829 -3.547 6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.404 -2.955 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.044 -3.507 8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.824 -2.918 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.507 -1.735 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.893 -1.367 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.409 -5.423 7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.783 -5.490 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.163 -4.929 6.072 1.00 0.00 H new ATOM 904 N ILE A 63 6.393 -1.358 6.599 1.00 0.00 N ATOM 905 CA ILE A 63 5.334 -0.742 5.818 1.00 0.00 C ATOM 906 C ILE A 63 4.757 0.444 6.596 1.00 0.00 C ATOM 907 O ILE A 63 4.690 1.557 6.077 1.00 0.00 O ATOM 908 CB ILE A 63 4.286 -1.783 5.419 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.801 -2.671 4.284 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.956 -1.115 5.066 1.00 0.00 C ATOM 911 CD1 ILE A 63 4.149 -4.054 4.331 1.00 0.00 C ATOM 0 H ILE A 63 6.076 -2.055 7.273 1.00 0.00 H new ATOM 0 HA ILE A 63 5.731 -0.349 4.882 1.00 0.00 H new ATOM 0 HB ILE A 63 4.103 -2.430 6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.591 -2.199 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.884 -2.773 4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.229 -1.877 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.587 -0.561 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.103 -0.430 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.532 -4.665 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.381 -4.533 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.069 -3.950 4.231 1.00 0.00 H new ATOM 923 N GLU A 64 4.355 0.164 7.827 1.00 0.00 N ATOM 924 CA GLU A 64 3.787 1.193 8.681 1.00 0.00 C ATOM 925 C GLU A 64 4.768 2.356 8.835 1.00 0.00 C ATOM 926 O GLU A 64 4.357 3.512 8.928 1.00 0.00 O ATOM 927 CB GLU A 64 3.397 0.619 10.045 1.00 0.00 C ATOM 928 CG GLU A 64 2.268 -0.404 9.907 1.00 0.00 C ATOM 929 CD GLU A 64 2.202 -1.316 11.134 1.00 0.00 C ATOM 930 OE1 GLU A 64 2.775 -0.915 12.171 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.580 -2.393 11.008 1.00 0.00 O ATOM 0 H GLU A 64 4.411 -0.761 8.253 1.00 0.00 H new ATOM 0 HA GLU A 64 2.879 1.570 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.265 0.148 10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.082 1.426 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.317 0.113 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.424 -1.005 9.011 1.00 0.00 H new ATOM 938 N LYS A 65 6.047 2.011 8.858 1.00 0.00 N ATOM 939 CA LYS A 65 7.090 3.013 8.999 1.00 0.00 C ATOM 940 C LYS A 65 7.240 3.776 7.682 1.00 0.00 C ATOM 941 O LYS A 65 7.591 4.955 7.680 1.00 0.00 O ATOM 942 CB LYS A 65 8.389 2.368 9.487 1.00 0.00 C ATOM 943 CG LYS A 65 8.373 2.184 11.006 1.00 0.00 C ATOM 944 CD LYS A 65 9.738 1.717 11.517 1.00 0.00 C ATOM 945 CE LYS A 65 10.173 2.528 12.739 1.00 0.00 C ATOM 946 NZ LYS A 65 11.005 3.681 12.327 1.00 0.00 N ATOM 0 H LYS A 65 6.385 1.052 8.781 1.00 0.00 H new ATOM 0 HA LYS A 65 6.817 3.743 9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.524 1.402 9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.238 2.990 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.103 3.124 11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.610 1.455 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.691 0.659 11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.481 1.818 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.295 2.881 13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.735 1.892 13.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.292 4.221 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.852 3.338 11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.457 4.296 11.692 1.00 0.00 H new ATOM 960 N MET A 66 6.966 3.073 6.593 1.00 0.00 N ATOM 961 CA MET A 66 7.066 3.670 5.272 1.00 0.00 C ATOM 962 C MET A 66 6.089 4.838 5.123 1.00 0.00 C ATOM 963 O MET A 66 6.409 5.844 4.490 1.00 0.00 O ATOM 964 CB MET A 66 6.763 2.613 4.209 1.00 0.00 C ATOM 965 CG MET A 66 7.997 2.330 3.349 1.00 0.00 C ATOM 966 SD MET A 66 8.356 3.741 2.316 1.00 0.00 S ATOM 967 CE MET A 66 6.750 4.005 1.583 1.00 0.00 C ATOM 0 H MET A 66 6.675 2.095 6.598 1.00 0.00 H new ATOM 0 HA MET A 66 8.080 4.049 5.141 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.432 1.693 4.690 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.944 2.954 3.575 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.853 2.109 3.987 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.825 1.450 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.871 4.402 0.575 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.211 3.059 1.538 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.187 4.716 2.188 1.00 0.00 H new ATOM 977 N LEU A 67 4.916 4.667 5.716 1.00 0.00 N ATOM 978 CA LEU A 67 3.891 5.694 5.657 1.00 0.00 C ATOM 979 C LEU A 67 4.327 6.893 6.502 1.00 0.00 C ATOM 980 O LEU A 67 3.764 7.980 6.381 1.00 0.00 O ATOM 981 CB LEU A 67 2.532 5.119 6.061 1.00 0.00 C ATOM 982 CG LEU A 67 1.811 4.290 4.996 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.683 3.123 4.527 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.446 3.818 5.500 1.00 0.00 C ATOM 0 H LEU A 67 4.653 3.832 6.240 1.00 0.00 H new ATOM 0 HA LEU A 67 3.769 6.051 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.671 4.496 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.882 5.945 6.352 1.00 0.00 H new ATOM 0 HG LEU A 67 1.632 4.927 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.147 2.550 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.609 3.509 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.914 2.478 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.045 3.231 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.580 3.203 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.170 4.683 5.746 1.00 0.00 H new ATOM 996 N LYS A 68 5.325 6.654 7.340 1.00 0.00 N ATOM 997 CA LYS A 68 5.843 7.701 8.205 1.00 0.00 C ATOM 998 C LYS A 68 7.167 8.217 7.637 1.00 0.00 C ATOM 999 O LYS A 68 7.510 9.385 7.817 1.00 0.00 O ATOM 1000 CB LYS A 68 5.946 7.202 9.647 1.00 0.00 C ATOM 1001 CG LYS A 68 6.892 8.082 10.466 1.00 0.00 C ATOM 1002 CD LYS A 68 6.292 8.407 11.835 1.00 0.00 C ATOM 1003 CE LYS A 68 6.534 7.265 12.825 1.00 0.00 C ATOM 1004 NZ LYS A 68 7.820 7.457 13.533 1.00 0.00 N ATOM 0 H LYS A 68 5.789 5.751 7.439 1.00 0.00 H new ATOM 0 HA LYS A 68 5.156 8.547 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.957 7.199 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.304 6.172 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.847 7.573 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.094 9.006 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.733 9.326 12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.221 8.585 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.718 7.222 13.546 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.542 6.312 12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.969 6.674 14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.597 7.476 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.798 8.357 14.054 1.00 0.00 H new ATOM 1018 N ASN A 69 7.874 7.323 6.962 1.00 0.00 N ATOM 1019 CA ASN A 69 9.152 7.673 6.367 1.00 0.00 C ATOM 1020 C ASN A 69 10.127 8.086 7.471 1.00 0.00 C ATOM 1021 O ASN A 69 10.991 7.305 7.866 1.00 0.00 O ATOM 1022 CB ASN A 69 9.005 8.850 5.401 1.00 0.00 C ATOM 1023 CG ASN A 69 10.374 9.366 4.953 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.398 8.731 5.143 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.335 10.551 4.350 1.00 0.00 N ATOM 0 H ASN A 69 7.586 6.356 6.814 1.00 0.00 H new ATOM 0 HA ASN A 69 9.521 6.804 5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.426 8.541 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.449 9.654 5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.197 10.981 4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.443 11.029 4.223 1.00 0.00 H new ATOM 1032 N GLY A 70 9.957 9.315 7.938 1.00 0.00 N ATOM 1033 CA GLY A 70 10.811 9.841 8.989 1.00 0.00 C ATOM 1034 C GLY A 70 11.363 11.216 8.609 1.00 0.00 C ATOM 1035 O GLY A 70 11.260 11.634 7.457 1.00 0.00 O ATOM 0 H GLY A 70 9.240 9.961 7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.246 9.916 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.635 9.152 9.172 1.00 0.00 H new ATOM 1135 N ARG B 8 7.677 15.555 -8.960 1.00 0.00 N ATOM 1136 CA ARG B 8 6.671 15.948 -7.989 1.00 0.00 C ATOM 1137 C ARG B 8 6.002 14.710 -7.388 1.00 0.00 C ATOM 1138 O ARG B 8 6.655 13.692 -7.168 1.00 0.00 O ATOM 1139 CB ARG B 8 5.603 16.836 -8.631 1.00 0.00 C ATOM 1140 CG ARG B 8 6.237 17.870 -9.563 1.00 0.00 C ATOM 1141 CD ARG B 8 5.168 18.748 -10.216 1.00 0.00 C ATOM 1142 NE ARG B 8 5.735 19.446 -11.392 1.00 0.00 N ATOM 1143 CZ ARG B 8 5.900 18.878 -12.594 1.00 0.00 C ATOM 1144 NH1 ARG B 8 5.542 17.601 -12.788 1.00 0.00 N ATOM 1145 NH2 ARG B 8 6.423 19.588 -13.604 1.00 0.00 N ATOM 0 HA ARG B 8 7.172 16.513 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.901 16.219 -9.191 1.00 0.00 H new ATOM 0 HB3 ARG B 8 5.032 17.344 -7.854 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.932 18.494 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.817 17.363 -10.334 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.319 18.136 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.794 19.476 -9.496 1.00 0.00 H new ATOM 0 HE ARG B 8 6.018 20.420 -11.280 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.143 17.061 -12.020 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.668 17.169 -13.704 1.00 0.00 H new ATOM 0 HH21 ARG B 8 6.695 20.560 -13.457 1.00 0.00 H new ATOM 0 HH22 ARG B 8 6.549 19.156 -14.519 1.00 0.00 H new ATOM 1159 N CYS B 9 4.707 14.839 -7.139 1.00 0.00 N ATOM 1160 CA CYS B 9 3.942 13.744 -6.567 1.00 0.00 C ATOM 1161 C CYS B 9 3.202 13.032 -7.701 1.00 0.00 C ATOM 1162 O CYS B 9 3.071 13.573 -8.798 1.00 0.00 O ATOM 1163 CB CYS B 9 2.984 14.231 -5.478 1.00 0.00 C ATOM 1164 SG CYS B 9 3.751 14.477 -3.835 1.00 0.00 S ATOM 0 H CYS B 9 4.168 15.685 -7.323 1.00 0.00 H new ATOM 0 HA CYS B 9 4.617 13.042 -6.077 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.539 15.172 -5.800 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.172 13.511 -5.380 1.00 0.00 H new ATOM 1169 N GLN B 10 2.737 11.829 -7.398 1.00 0.00 N ATOM 1170 CA GLN B 10 2.014 11.037 -8.378 1.00 0.00 C ATOM 1171 C GLN B 10 0.510 11.298 -8.266 1.00 0.00 C ATOM 1172 O GLN B 10 -0.275 10.769 -9.051 1.00 0.00 O ATOM 1173 CB GLN B 10 2.325 9.547 -8.217 1.00 0.00 C ATOM 1174 CG GLN B 10 2.267 8.826 -9.565 1.00 0.00 C ATOM 1175 CD GLN B 10 1.605 7.454 -9.425 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.574 7.171 -10.014 1.00 0.00 O ATOM 1177 NE2 GLN B 10 2.252 6.621 -8.615 1.00 0.00 N ATOM 0 H GLN B 10 2.847 11.383 -6.487 1.00 0.00 H new ATOM 0 HA GLN B 10 2.343 11.338 -9.373 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.315 9.424 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.611 9.095 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.711 9.431 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.275 8.708 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN B 10 3.110 6.922 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.890 5.681 -8.455 1.00 0.00 H new ATOM 1186 N CYS B 11 0.155 12.113 -7.284 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.240 12.451 -7.060 1.00 0.00 C ATOM 1188 C CYS B 11 -1.314 13.910 -6.607 1.00 0.00 C ATOM 1189 O CYS B 11 -0.656 14.299 -5.643 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.896 11.506 -6.051 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.319 10.557 -6.701 1.00 0.00 S ATOM 0 H CYS B 11 0.809 12.549 -6.634 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.799 12.331 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.144 10.804 -5.690 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.228 12.088 -5.192 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.122 14.679 -7.323 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.291 16.087 -7.006 1.00 0.00 C ATOM 1198 C LEU B 12 -3.461 16.250 -6.034 1.00 0.00 C ATOM 1199 O LEU B 12 -3.602 17.292 -5.395 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.436 16.911 -8.287 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.488 16.545 -9.431 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.118 16.862 -10.789 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.129 17.226 -9.257 1.00 0.00 C ATOM 0 H LEU B 12 -2.667 14.353 -8.122 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.404 16.474 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.461 16.812 -8.645 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.285 17.962 -8.039 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.315 15.469 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.423 16.592 -11.584 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.040 16.292 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.340 17.928 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.525 16.949 -10.084 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.263 18.308 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.320 16.907 -8.316 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.272 15.205 -5.954 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.425 15.219 -5.071 1.00 0.00 C ATOM 1217 C GLN B 13 -5.515 13.905 -4.293 1.00 0.00 C ATOM 1218 O GLN B 13 -4.768 12.966 -4.565 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.713 15.481 -5.855 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.669 16.371 -5.058 1.00 0.00 C ATOM 1221 CD GLN B 13 -7.676 17.799 -5.609 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -6.645 18.416 -5.817 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -8.893 18.286 -5.832 1.00 0.00 N ATOM 0 H GLN B 13 -4.153 14.343 -6.486 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.301 16.033 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.474 15.958 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.200 14.534 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.676 15.957 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.371 16.383 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -9.715 17.715 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -9.005 19.231 -6.200 1.00 0.00 H new ATOM 1232 N THR B 14 -6.435 13.879 -3.340 1.00 0.00 N ATOM 1233 CA THR B 14 -6.632 12.695 -2.521 1.00 0.00 C ATOM 1234 C THR B 14 -8.059 12.660 -1.969 1.00 0.00 C ATOM 1235 O THR B 14 -8.769 13.663 -2.011 1.00 0.00 O ATOM 1236 CB THR B 14 -5.558 12.691 -1.431 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.544 14.032 -0.952 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.152 12.482 -1.996 1.00 0.00 C ATOM 0 H THR B 14 -7.053 14.659 -3.117 1.00 0.00 H new ATOM 0 HA THR B 14 -6.522 11.784 -3.109 1.00 0.00 H new ATOM 0 HB THR B 14 -5.779 11.907 -0.707 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.876 14.118 -0.240 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.428 12.488 -1.181 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.107 11.525 -2.515 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.918 13.285 -2.695 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.435 11.494 -1.465 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.764 11.314 -0.905 1.00 0.00 C ATOM 1248 C LEU B 15 -9.680 11.365 0.622 1.00 0.00 C ATOM 1249 O LEU B 15 -8.588 11.362 1.188 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.403 10.033 -1.444 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.603 9.969 -2.959 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.242 8.585 -3.502 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.025 10.382 -3.343 1.00 0.00 C ATOM 0 H LEU B 15 -7.843 10.664 -1.433 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.422 12.126 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.784 9.188 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.373 9.905 -0.964 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.924 10.684 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.393 8.567 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.198 8.367 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.878 7.833 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.140 10.328 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.740 9.710 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.210 11.403 -3.009 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.849 11.410 1.245 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.922 11.462 2.696 1.00 0.00 C ATOM 1267 C GLN B 16 -11.041 10.049 3.271 1.00 0.00 C ATOM 1268 O GLN B 16 -10.930 9.857 4.481 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.086 12.341 3.155 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.443 12.059 4.616 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.403 10.872 4.726 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.343 10.728 3.963 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -13.113 10.033 5.717 1.00 0.00 N ATOM 0 H GLN B 16 -11.753 11.412 0.772 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.002 11.910 3.072 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.821 13.392 3.038 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.955 12.159 2.523 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.535 11.851 5.182 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.900 12.943 5.060 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.310 10.214 6.320 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.694 9.209 5.874 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.265 9.097 2.378 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.400 7.708 2.782 1.00 0.00 C ATOM 1284 C GLY B 17 -12.708 7.110 2.260 1.00 0.00 C ATOM 1285 O GLY B 17 -13.774 7.352 2.823 1.00 0.00 O ATOM 0 H GLY B 17 -11.356 9.260 1.375 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.556 7.132 2.403 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.372 7.637 3.869 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.584 6.340 1.189 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.742 5.706 0.584 1.00 0.00 C ATOM 1291 C ILE B 18 -13.975 4.344 1.243 1.00 0.00 C ATOM 1292 O ILE B 18 -13.079 3.803 1.889 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.582 5.634 -0.936 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -14.032 6.939 -1.597 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -14.316 4.419 -1.508 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -13.185 7.248 -2.833 1.00 0.00 C ATOM 0 H ILE B 18 -11.698 6.141 0.725 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.637 6.303 0.759 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.523 5.506 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -15.082 6.864 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -13.952 7.759 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -14.186 4.392 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.908 3.508 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -15.378 4.491 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -13.526 8.180 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -12.139 7.346 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -13.286 6.438 -3.555 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.182 3.830 1.056 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.543 2.543 1.624 1.00 0.00 C ATOM 1310 C HIS B 19 -14.493 1.498 1.237 1.00 0.00 C ATOM 1311 O HIS B 19 -13.916 1.566 0.153 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.959 2.143 1.206 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.776 1.526 2.316 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.990 0.900 2.095 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.540 1.445 3.657 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.455 0.466 3.257 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.555 0.806 4.224 1.00 0.00 N ATOM 0 H HIS B 19 -15.922 4.282 0.519 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.553 2.612 2.712 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.479 3.025 0.833 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.897 1.436 0.379 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.674 1.835 4.170 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.383 -0.064 3.412 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.647 0.602 5.219 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.279 0.558 2.145 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.309 -0.499 1.912 1.00 0.00 C ATOM 1327 C LEU B 20 -13.998 -1.673 1.214 1.00 0.00 C ATOM 1328 O LEU B 20 -13.467 -2.782 1.185 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.613 -0.884 3.219 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.173 -1.386 3.089 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -11.097 -2.604 2.166 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -10.240 -0.262 2.632 1.00 0.00 C ATOM 0 H LEU B 20 -14.760 0.506 3.043 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.519 -0.151 1.247 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.616 -0.016 3.879 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.204 -1.658 3.708 1.00 0.00 H new ATOM 0 HG LEU B 20 -10.834 -1.707 4.074 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -10.063 -2.940 2.091 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.711 -3.407 2.573 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -11.463 -2.333 1.176 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -9.223 -0.645 2.548 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.569 0.112 1.662 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -10.263 0.549 3.360 1.00 0.00 H new ATOM 1344 N LYS B 21 -15.171 -1.389 0.667 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.938 -2.407 -0.030 1.00 0.00 C ATOM 1346 C LYS B 21 -15.700 -2.279 -1.536 1.00 0.00 C ATOM 1347 O LYS B 21 -16.170 -3.105 -2.315 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.414 -2.332 0.368 1.00 0.00 C ATOM 1349 CG LYS B 21 -18.312 -2.856 -0.755 1.00 0.00 C ATOM 1350 CD LYS B 21 -18.062 -4.345 -1.007 1.00 0.00 C ATOM 1351 CE LYS B 21 -18.894 -5.208 -0.057 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.661 -6.645 -0.325 1.00 0.00 N ATOM 0 H LYS B 21 -15.609 -0.468 0.693 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.603 -3.402 0.262 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.580 -2.915 1.274 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.680 -1.301 0.600 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -19.358 -2.698 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.124 -2.292 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -18.312 -4.590 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -17.003 -4.568 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -18.633 -4.978 0.976 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -19.952 -4.976 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -19.233 -7.217 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -18.932 -6.864 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -17.654 -6.865 -0.187 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.969 -1.235 -1.900 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.662 -0.987 -3.298 1.00 0.00 C ATOM 1368 C ASN B 22 -13.163 -1.184 -3.529 1.00 0.00 C ATOM 1369 O ASN B 22 -12.761 -1.898 -4.447 1.00 0.00 O ATOM 1370 CB ASN B 22 -15.018 0.447 -3.694 1.00 0.00 C ATOM 1371 CG ASN B 22 -16.320 0.487 -4.497 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.418 -0.030 -5.597 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -17.312 1.129 -3.886 1.00 0.00 N ATOM 0 H ASN B 22 -14.581 -0.551 -1.250 1.00 0.00 H new ATOM 0 HA ASN B 22 -15.246 -1.683 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -15.120 1.061 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -14.209 0.876 -4.285 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -18.222 1.211 -4.339 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -17.163 1.539 -2.964 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.376 -0.538 -2.681 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.929 -0.632 -2.782 1.00 0.00 C ATOM 1382 C ILE B 23 -10.525 -2.104 -2.888 1.00 0.00 C ATOM 1383 O ILE B 23 -11.042 -2.948 -2.157 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.262 0.107 -1.620 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.884 1.534 -2.023 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -9.060 -0.677 -1.090 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.489 2.555 -1.058 1.00 0.00 C ATOM 0 H ILE B 23 -12.713 0.053 -1.921 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.577 -0.138 -3.688 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.981 0.183 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.799 1.637 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.233 1.734 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.604 -0.130 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.390 -1.655 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -8.329 -0.805 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.205 3.561 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.575 2.466 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.119 2.367 -0.050 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.604 -2.367 -3.803 1.00 0.00 N ATOM 1400 CA GLN B 24 -9.125 -3.722 -4.014 1.00 0.00 C ATOM 1401 C GLN B 24 -7.646 -3.827 -3.635 1.00 0.00 C ATOM 1402 O GLN B 24 -7.165 -4.905 -3.287 1.00 0.00 O ATOM 1403 CB GLN B 24 -9.353 -4.166 -5.461 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.714 -5.651 -5.528 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.622 -6.449 -6.244 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.849 -7.091 -7.256 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.428 -6.373 -5.664 1.00 0.00 N ATOM 0 H GLN B 24 -9.177 -1.665 -4.407 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.694 -4.392 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -10.153 -3.573 -5.905 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.454 -3.980 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.853 -6.041 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.662 -5.775 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.307 -5.817 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.633 -6.871 -6.066 1.00 0.00 H new ATOM 1416 N SER B 25 -6.966 -2.693 -3.715 1.00 0.00 N ATOM 1417 CA SER B 25 -5.551 -2.644 -3.385 1.00 0.00 C ATOM 1418 C SER B 25 -5.170 -1.235 -2.927 1.00 0.00 C ATOM 1419 O SER B 25 -5.823 -0.260 -3.295 1.00 0.00 O ATOM 1420 CB SER B 25 -4.692 -3.064 -4.579 1.00 0.00 C ATOM 1421 OG SER B 25 -5.485 -3.496 -5.682 1.00 0.00 O ATOM 0 H SER B 25 -7.368 -1.801 -4.003 1.00 0.00 H new ATOM 0 HA SER B 25 -5.364 -3.347 -2.573 1.00 0.00 H new ATOM 0 HB2 SER B 25 -4.067 -2.226 -4.888 1.00 0.00 H new ATOM 0 HB3 SER B 25 -4.021 -3.869 -4.278 1.00 0.00 H new ATOM 0 HG SER B 25 -4.955 -3.449 -6.505 1.00 0.00 H new ATOM 1427 N VAL B 26 -4.114 -1.172 -2.129 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.637 0.102 -1.617 1.00 0.00 C ATOM 1429 C VAL B 26 -2.134 0.220 -1.874 1.00 0.00 C ATOM 1430 O VAL B 26 -1.379 -0.713 -1.604 1.00 0.00 O ATOM 1431 CB VAL B 26 -4.004 0.241 -0.138 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -3.250 1.406 0.506 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.515 0.400 0.040 1.00 0.00 C ATOM 0 H VAL B 26 -3.575 -1.983 -1.824 1.00 0.00 H new ATOM 0 HA VAL B 26 -4.121 0.928 -2.138 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.702 -0.675 0.370 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.529 1.483 1.557 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -2.177 1.233 0.427 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.507 2.333 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.748 0.497 1.100 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.852 1.292 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -6.023 -0.475 -0.365 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.744 1.375 -2.394 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.344 1.627 -2.691 1.00 0.00 C ATOM 1445 C LYS B 27 0.091 2.927 -2.011 1.00 0.00 C ATOM 1446 O LYS B 27 -0.522 3.973 -2.215 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.106 1.614 -4.202 1.00 0.00 C ATOM 1448 CG LYS B 27 1.385 1.485 -4.521 1.00 0.00 C ATOM 1449 CD LYS B 27 2.132 2.776 -4.181 1.00 0.00 C ATOM 1450 CE LYS B 27 2.978 3.248 -5.365 1.00 0.00 C ATOM 1451 NZ LYS B 27 2.200 4.170 -6.223 1.00 0.00 N ATOM 0 H LYS B 27 -2.373 2.146 -2.617 1.00 0.00 H new ATOM 0 HA LYS B 27 0.281 0.831 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.651 0.784 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.498 2.530 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.811 0.655 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.516 1.253 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.418 3.552 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.772 2.612 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.875 3.750 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.308 2.389 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 2.455 4.015 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 1.184 3.990 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 2.414 5.153 -5.960 1.00 0.00 H new ATOM 1465 N VAL B 28 1.146 2.817 -1.217 1.00 0.00 N ATOM 1466 CA VAL B 28 1.670 3.971 -0.506 1.00 0.00 C ATOM 1467 C VAL B 28 3.050 4.325 -1.064 1.00 0.00 C ATOM 1468 O VAL B 28 3.965 3.503 -1.036 1.00 0.00 O ATOM 1469 CB VAL B 28 1.687 3.695 0.999 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.390 4.824 1.755 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.270 3.476 1.532 1.00 0.00 C ATOM 0 H VAL B 28 1.652 1.947 -1.050 1.00 0.00 H new ATOM 0 HA VAL B 28 1.026 4.837 -0.657 1.00 0.00 H new ATOM 0 HB VAL B 28 2.252 2.778 1.166 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.388 4.603 2.822 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.418 4.912 1.404 1.00 0.00 H new ATOM 0 HG13 VAL B 28 1.865 5.763 1.578 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.310 3.282 2.604 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.330 4.367 1.347 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.181 2.623 1.026 1.00 0.00 H new ATOM 1481 N LYS B 29 3.157 5.550 -1.558 1.00 0.00 N ATOM 1482 CA LYS B 29 4.410 6.023 -2.122 1.00 0.00 C ATOM 1483 C LYS B 29 4.906 7.224 -1.314 1.00 0.00 C ATOM 1484 O LYS B 29 4.537 8.362 -1.597 1.00 0.00 O ATOM 1485 CB LYS B 29 4.250 6.311 -3.616 1.00 0.00 C ATOM 1486 CG LYS B 29 5.613 6.395 -4.307 1.00 0.00 C ATOM 1487 CD LYS B 29 6.186 7.811 -4.218 1.00 0.00 C ATOM 1488 CE LYS B 29 6.394 8.407 -5.612 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.469 9.424 -5.585 1.00 0.00 N ATOM 0 H LYS B 29 2.396 6.229 -1.579 1.00 0.00 H new ATOM 0 HA LYS B 29 5.176 5.251 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.651 5.527 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.710 7.248 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.303 5.690 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.513 6.104 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.510 8.445 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.135 7.790 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.650 7.617 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.466 8.859 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.598 9.819 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.209 10.186 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.357 8.983 -5.270 1.00 0.00 H new ATOM 1503 N SER B 30 5.736 6.928 -0.325 1.00 0.00 N ATOM 1504 CA SER B 30 6.287 7.969 0.526 1.00 0.00 C ATOM 1505 C SER B 30 6.899 9.077 -0.333 1.00 0.00 C ATOM 1506 O SER B 30 6.978 8.950 -1.554 1.00 0.00 O ATOM 1507 CB SER B 30 7.336 7.400 1.484 1.00 0.00 C ATOM 1508 OG SER B 30 8.639 7.908 1.212 1.00 0.00 O ATOM 0 H SER B 30 6.040 5.982 -0.094 1.00 0.00 H new ATOM 0 HA SER B 30 5.477 8.386 1.124 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.059 7.643 2.510 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.347 6.313 1.405 1.00 0.00 H new ATOM 0 HG SER B 30 9.279 7.522 1.846 1.00 0.00 H new ATOM 1514 N PRO B 31 7.328 10.169 0.357 1.00 0.00 N ATOM 1515 CA PRO B 31 7.930 11.299 -0.330 1.00 0.00 C ATOM 1516 C PRO B 31 9.358 10.974 -0.772 1.00 0.00 C ATOM 1517 O PRO B 31 9.877 9.901 -0.469 1.00 0.00 O ATOM 1518 CB PRO B 31 7.862 12.445 0.666 1.00 0.00 C ATOM 1519 CG PRO B 31 7.652 11.803 2.027 1.00 0.00 C ATOM 1520 CD PRO B 31 7.250 10.355 1.803 1.00 0.00 C ATOM 0 HA PRO B 31 7.409 11.558 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.780 13.032 0.649 1.00 0.00 H new ATOM 0 HB3 PRO B 31 7.045 13.124 0.424 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.565 11.858 2.620 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.878 12.332 2.583 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.919 9.673 2.327 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.243 10.161 2.174 1.00 0.00 H new ATOM 1528 N GLY B 32 9.954 11.921 -1.481 1.00 0.00 N ATOM 1529 CA GLY B 32 11.312 11.750 -1.968 1.00 0.00 C ATOM 1530 C GLY B 32 12.036 13.095 -2.060 1.00 0.00 C ATOM 1531 O GLY B 32 11.613 14.074 -1.448 1.00 0.00 O ATOM 0 H GLY B 32 9.521 12.810 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.860 11.083 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.293 11.275 -2.949 1.00 0.00 H new ATOM 1535 N PRO B 33 13.142 13.099 -2.850 1.00 0.00 N ATOM 1536 CA PRO B 33 13.929 14.308 -3.031 1.00 0.00 C ATOM 1537 C PRO B 33 13.217 15.291 -3.962 1.00 0.00 C ATOM 1538 O PRO B 33 13.743 16.363 -4.258 1.00 0.00 O ATOM 1539 CB PRO B 33 15.264 13.830 -3.579 1.00 0.00 C ATOM 1540 CG PRO B 33 15.015 12.432 -4.121 1.00 0.00 C ATOM 1541 CD PRO B 33 13.672 11.958 -3.591 1.00 0.00 C ATOM 0 HA PRO B 33 14.070 14.861 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.625 14.495 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO B 33 16.025 13.817 -2.798 1.00 0.00 H new ATOM 0 HG2 PRO B 33 15.014 12.440 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.809 11.754 -3.808 1.00 0.00 H new ATOM 0 HD2 PRO B 33 13.005 11.669 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.786 11.086 -2.947 1.00 0.00 H new ATOM 1549 N HIS B 34 12.031 14.891 -4.398 1.00 0.00 N ATOM 1550 CA HIS B 34 11.242 15.723 -5.290 1.00 0.00 C ATOM 1551 C HIS B 34 9.975 16.189 -4.570 1.00 0.00 C ATOM 1552 O HIS B 34 9.681 17.383 -4.532 1.00 0.00 O ATOM 1553 CB HIS B 34 10.945 14.988 -6.599 1.00 0.00 C ATOM 1554 CG HIS B 34 10.802 13.493 -6.444 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.860 12.670 -6.099 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.715 12.682 -6.590 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.419 11.422 -6.044 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.089 11.431 -6.349 1.00 0.00 N ATOM 0 H HIS B 34 11.598 14.002 -4.150 1.00 0.00 H new ATOM 0 HA HIS B 34 11.811 16.612 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS B 34 10.026 15.388 -7.028 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.745 15.195 -7.310 1.00 0.00 H new ATOM 0 HD1 HIS B 34 12.817 12.973 -5.918 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.719 13.003 -6.856 1.00 0.00 H new ATOM 0 HE1 HIS B 34 12.009 10.551 -5.801 1.00 0.00 H new ATOM 1566 N CYS B 35 9.258 15.222 -4.017 1.00 0.00 N ATOM 1567 CA CYS B 35 8.029 15.517 -3.301 1.00 0.00 C ATOM 1568 C CYS B 35 8.246 15.195 -1.821 1.00 0.00 C ATOM 1569 O CYS B 35 8.587 14.066 -1.471 1.00 0.00 O ATOM 1570 CB CYS B 35 6.838 14.753 -3.882 1.00 0.00 C ATOM 1571 SG CYS B 35 5.345 15.769 -4.178 1.00 0.00 S ATOM 0 H CYS B 35 9.505 14.233 -4.050 1.00 0.00 H new ATOM 0 HA CYS B 35 7.787 16.574 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.142 14.296 -4.824 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.579 13.941 -3.203 1.00 0.00 H new ATOM 1576 N ALA B 36 8.041 16.208 -0.992 1.00 0.00 N ATOM 1577 CA ALA B 36 8.210 16.047 0.443 1.00 0.00 C ATOM 1578 C ALA B 36 6.861 15.699 1.075 1.00 0.00 C ATOM 1579 O ALA B 36 6.650 15.935 2.264 1.00 0.00 O ATOM 1580 CB ALA B 36 8.819 17.322 1.031 1.00 0.00 C ATOM 0 H ALA B 36 7.759 17.143 -1.286 1.00 0.00 H new ATOM 0 HA ALA B 36 8.896 15.228 0.660 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.946 17.202 2.107 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.789 17.508 0.570 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.156 18.165 0.836 1.00 0.00 H new ATOM 1586 N GLN B 37 5.984 15.144 0.252 1.00 0.00 N ATOM 1587 CA GLN B 37 4.661 14.761 0.716 1.00 0.00 C ATOM 1588 C GLN B 37 4.377 13.300 0.363 1.00 0.00 C ATOM 1589 O GLN B 37 5.014 12.738 -0.527 1.00 0.00 O ATOM 1590 CB GLN B 37 3.588 15.685 0.136 1.00 0.00 C ATOM 1591 CG GLN B 37 3.988 17.154 0.288 1.00 0.00 C ATOM 1592 CD GLN B 37 3.563 17.967 -0.937 1.00 0.00 C ATOM 1593 OE1 GLN B 37 2.608 17.648 -1.625 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.324 19.032 -1.169 1.00 0.00 N ATOM 0 H GLN B 37 6.163 14.950 -0.733 1.00 0.00 H new ATOM 0 HA GLN B 37 4.634 14.863 1.801 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.435 15.453 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.639 15.509 0.642 1.00 0.00 H new ATOM 0 HG2 GLN B 37 3.526 17.570 1.183 1.00 0.00 H new ATOM 0 HG3 GLN B 37 5.067 17.229 0.422 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.109 19.242 -0.553 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.123 19.639 -1.963 1.00 0.00 H new ATOM 1603 N THR B 38 3.420 12.727 1.077 1.00 0.00 N ATOM 1604 CA THR B 38 3.043 11.342 0.850 1.00 0.00 C ATOM 1605 C THR B 38 2.015 11.247 -0.279 1.00 0.00 C ATOM 1606 O THR B 38 1.316 12.217 -0.570 1.00 0.00 O ATOM 1607 CB THR B 38 2.545 10.764 2.176 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.450 11.287 3.145 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.740 9.249 2.264 1.00 0.00 C ATOM 0 H THR B 38 2.894 13.197 1.814 1.00 0.00 H new ATOM 0 HA THR B 38 3.896 10.749 0.521 1.00 0.00 H new ATOM 0 HB THR B 38 1.489 11.002 2.302 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.199 10.963 4.035 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.370 8.890 3.224 1.00 0.00 H new ATOM 0 HG22 THR B 38 2.189 8.764 1.458 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.800 9.013 2.172 1.00 0.00 H new ATOM 1617 N GLU B 39 1.955 10.070 -0.884 1.00 0.00 N ATOM 1618 CA GLU B 39 1.023 9.836 -1.974 1.00 0.00 C ATOM 1619 C GLU B 39 0.443 8.423 -1.883 1.00 0.00 C ATOM 1620 O GLU B 39 1.104 7.452 -2.248 1.00 0.00 O ATOM 1621 CB GLU B 39 1.696 10.066 -3.329 1.00 0.00 C ATOM 1622 CG GLU B 39 2.081 11.536 -3.507 1.00 0.00 C ATOM 1623 CD GLU B 39 0.837 12.423 -3.582 1.00 0.00 C ATOM 1624 OE1 GLU B 39 -0.231 11.875 -3.933 1.00 0.00 O ATOM 1625 OE2 GLU B 39 0.981 13.629 -3.287 1.00 0.00 O ATOM 0 H GLU B 39 2.536 9.268 -0.640 1.00 0.00 H new ATOM 0 HA GLU B 39 0.204 10.550 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.586 9.441 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.022 9.763 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU B 39 2.709 11.854 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.671 11.654 -4.416 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.786 8.353 -1.393 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.462 7.075 -1.249 1.00 0.00 C ATOM 1634 C VAL B 40 -2.375 6.847 -2.455 1.00 0.00 C ATOM 1635 O VAL B 40 -3.270 7.648 -2.722 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.211 7.026 0.085 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.065 5.761 0.188 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.240 7.130 1.262 1.00 0.00 C ATOM 0 H VAL B 40 -1.331 9.160 -1.091 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.738 6.260 -1.230 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.880 7.885 0.126 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.586 5.751 1.145 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.794 5.747 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.424 4.882 0.115 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.797 7.093 2.198 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.535 6.300 1.226 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.695 8.072 1.202 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.117 5.751 -3.154 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.904 5.408 -4.326 1.00 0.00 C ATOM 1650 C ILE B 41 -3.424 3.975 -4.184 1.00 0.00 C ATOM 1651 O ILE B 41 -2.640 3.030 -4.121 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.096 5.645 -5.603 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.295 6.946 -5.511 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -2.999 5.614 -6.837 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.129 6.679 -5.020 1.00 0.00 C ATOM 0 H ILE B 41 -1.374 5.089 -2.931 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.775 6.058 -4.403 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.378 4.832 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.262 7.427 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.794 7.637 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.399 5.785 -7.731 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.486 4.641 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.756 6.393 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.677 7.620 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.093 6.220 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.633 6.007 -5.714 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.743 3.860 -4.139 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.377 2.559 -4.006 1.00 0.00 C ATOM 1669 C ALA B 42 -6.067 2.197 -5.322 1.00 0.00 C ATOM 1670 O ALA B 42 -6.598 3.068 -6.009 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.349 2.583 -2.824 1.00 0.00 C ATOM 0 H ALA B 42 -5.390 4.646 -4.192 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.634 1.788 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.825 1.607 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.804 2.816 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.112 3.343 -2.996 1.00 0.00 H new ATOM 1677 N THR B 43 -6.038 0.909 -5.633 1.00 0.00 N ATOM 1678 CA THR B 43 -6.655 0.420 -6.854 1.00 0.00 C ATOM 1679 C THR B 43 -8.086 -0.046 -6.580 1.00 0.00 C ATOM 1680 O THR B 43 -8.327 -0.798 -5.636 1.00 0.00 O ATOM 1681 CB THR B 43 -5.758 -0.677 -7.431 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.618 0.026 -7.917 1.00 0.00 O ATOM 1683 CG2 THR B 43 -6.356 -1.326 -8.680 1.00 0.00 C ATOM 0 H THR B 43 -5.597 0.189 -5.060 1.00 0.00 H new ATOM 0 HA THR B 43 -6.742 1.213 -7.597 1.00 0.00 H new ATOM 0 HB THR B 43 -5.586 -1.441 -6.673 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.983 -0.610 -8.307 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.680 -2.097 -9.049 1.00 0.00 H new ATOM 0 HG22 THR B 43 -7.318 -1.775 -8.432 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.498 -0.569 -9.451 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.998 0.419 -7.421 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.399 0.058 -7.281 1.00 0.00 C ATOM 1693 C LEU B 44 -10.609 -1.365 -7.800 1.00 0.00 C ATOM 1694 O LEU B 44 -9.918 -1.803 -8.718 1.00 0.00 O ATOM 1695 CB LEU B 44 -11.290 1.099 -7.961 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.488 1.592 -7.146 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.935 2.979 -7.612 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.632 0.577 -7.185 1.00 0.00 C ATOM 0 H LEU B 44 -8.794 1.043 -8.202 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.690 0.060 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.675 1.960 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.660 0.677 -8.895 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.178 1.687 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.788 3.306 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.115 3.686 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.222 2.935 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.471 0.951 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.950 0.426 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.292 -0.371 -6.768 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.566 -2.048 -7.189 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.876 -3.413 -7.578 1.00 0.00 C ATOM 1712 C LYS B 45 -12.624 -3.401 -8.913 1.00 0.00 C ATOM 1713 O LYS B 45 -12.925 -4.456 -9.470 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.631 -4.132 -6.458 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.905 -5.591 -6.829 1.00 0.00 C ATOM 1716 CD LYS B 45 -14.292 -5.745 -7.456 1.00 0.00 C ATOM 1717 CE LYS B 45 -15.114 -6.801 -6.714 1.00 0.00 C ATOM 1718 NZ LYS B 45 -16.551 -6.444 -6.731 1.00 0.00 N ATOM 0 H LYS B 45 -12.137 -1.681 -6.427 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.959 -3.982 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.049 -4.090 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.573 -3.620 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.145 -5.941 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.833 -6.216 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.814 -4.789 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.192 -6.027 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.970 -7.776 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.766 -6.884 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -17.095 -7.170 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -16.685 -5.523 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -16.883 -6.387 -7.715 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.901 -2.196 -9.389 1.00 0.00 N ATOM 1733 CA ASN B 46 -13.608 -2.033 -10.648 1.00 0.00 C ATOM 1734 C ASN B 46 -12.598 -1.738 -11.759 1.00 0.00 C ATOM 1735 O ASN B 46 -12.953 -1.724 -12.937 1.00 0.00 O ATOM 1736 CB ASN B 46 -14.591 -0.863 -10.580 1.00 0.00 C ATOM 1737 CG ASN B 46 -14.568 -0.051 -11.877 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -14.102 1.186 -11.732 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -14.947 -0.517 -12.938 1.00 0.00 N flip ATOM 0 H ASN B 46 -12.649 -1.323 -8.925 1.00 0.00 H new ATOM 0 HA ASN B 46 -14.156 -2.953 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -15.598 -1.239 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -14.337 -0.218 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -15.294 -1.475 -12.979 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -14.917 0.052 -13.784 1.00 0.00 H new ATOM 1746 N GLY B 47 -11.361 -1.510 -11.346 1.00 0.00 N ATOM 1747 CA GLY B 47 -10.298 -1.216 -12.292 1.00 0.00 C ATOM 1748 C GLY B 47 -9.876 0.252 -12.204 1.00 0.00 C ATOM 1749 O GLY B 47 -8.938 0.674 -12.879 1.00 0.00 O ATOM 0 H GLY B 47 -11.070 -1.523 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -9.440 -1.857 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.634 -1.441 -13.304 1.00 0.00 H new ATOM 1753 N GLN B 48 -10.589 0.991 -11.367 1.00 0.00 N ATOM 1754 CA GLN B 48 -10.301 2.403 -11.182 1.00 0.00 C ATOM 1755 C GLN B 48 -9.277 2.593 -10.061 1.00 0.00 C ATOM 1756 O GLN B 48 -8.712 1.622 -9.560 1.00 0.00 O ATOM 1757 CB GLN B 48 -11.580 3.191 -10.895 1.00 0.00 C ATOM 1758 CG GLN B 48 -12.253 3.637 -12.195 1.00 0.00 C ATOM 1759 CD GLN B 48 -13.627 4.251 -11.919 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.784 5.473 -12.419 1.00 0.00 O flip ATOM 1761 NE2 GLN B 48 -14.488 3.653 -11.294 1.00 0.00 N flip ATOM 0 H GLN B 48 -11.366 0.638 -10.809 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.875 2.791 -12.107 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -12.269 2.575 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -11.345 4.063 -10.285 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -11.621 4.365 -12.705 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -12.360 2.784 -12.865 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -14.301 2.716 -10.937 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -15.394 4.090 -11.128 1.00 0.00 H new ATOM 1770 N LYS B 49 -9.068 3.851 -9.701 1.00 0.00 N ATOM 1771 CA LYS B 49 -8.122 4.181 -8.649 1.00 0.00 C ATOM 1772 C LYS B 49 -8.661 5.360 -7.836 1.00 0.00 C ATOM 1773 O LYS B 49 -9.351 6.225 -8.373 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.731 4.425 -9.237 1.00 0.00 C ATOM 1775 CG LYS B 49 -6.199 3.167 -9.926 1.00 0.00 C ATOM 1776 CD LYS B 49 -6.510 3.189 -11.424 1.00 0.00 C ATOM 1777 CE LYS B 49 -6.046 1.897 -12.099 1.00 0.00 C ATOM 1778 NZ LYS B 49 -4.910 2.166 -13.008 1.00 0.00 N ATOM 0 H LYS B 49 -9.538 4.654 -10.119 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.010 3.343 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.774 5.246 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.046 4.728 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.122 3.094 -9.776 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.645 2.283 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -7.582 3.318 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -6.018 4.043 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -5.750 1.171 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -6.871 1.456 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -4.608 1.278 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -5.204 2.843 -13.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -4.118 2.566 -12.465 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.325 5.356 -6.554 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.767 6.414 -5.662 1.00 0.00 C ATOM 1794 C ALA B 50 -7.635 6.764 -4.693 1.00 0.00 C ATOM 1795 O ALA B 50 -7.209 5.923 -3.902 1.00 0.00 O ATOM 1796 CB ALA B 50 -10.040 5.973 -4.937 1.00 0.00 C ATOM 0 H ALA B 50 -7.752 4.637 -6.112 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.009 7.315 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.371 6.767 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.821 5.765 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.836 5.072 -4.358 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.181 8.005 -4.786 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.107 8.475 -3.927 1.00 0.00 C ATOM 1804 C CYS B 51 -6.699 8.804 -2.555 1.00 0.00 C ATOM 1805 O CYS B 51 -7.808 9.328 -2.463 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.380 9.675 -4.538 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.747 9.291 -5.269 1.00 0.00 S ATOM 0 H CYS B 51 -7.537 8.699 -5.443 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.355 7.694 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.014 10.112 -5.309 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.248 10.433 -3.766 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.932 8.484 -1.523 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.366 8.739 -0.160 1.00 0.00 C ATOM 1814 C LEU B 52 -5.465 9.805 0.466 1.00 0.00 C ATOM 1815 O LEU B 52 -4.394 10.105 -0.059 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.421 7.435 0.637 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.318 6.335 0.064 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.950 4.969 0.646 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.796 6.668 0.274 1.00 0.00 C ATOM 0 H LEU B 52 -5.012 8.050 -1.604 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.382 9.134 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.408 7.042 0.723 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.761 7.664 1.647 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.150 6.283 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.602 4.205 0.222 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.913 4.737 0.402 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -7.072 4.990 1.729 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.411 5.870 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.999 6.764 1.341 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -9.032 7.607 -0.226 1.00 0.00 H new ATOM 1831 N ASN B 53 -5.932 10.349 1.581 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.182 11.375 2.284 1.00 0.00 C ATOM 1833 C ASN B 53 -4.417 10.736 3.445 1.00 0.00 C ATOM 1834 O ASN B 53 -5.019 10.148 4.342 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.116 12.440 2.864 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.320 13.613 3.440 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -5.732 14.008 4.640 1.00 0.00 O flip ATOM 1838 ND2 ASN B 53 -4.392 14.124 2.834 1.00 0.00 N flip ATOM 0 H ASN B 53 -6.821 10.098 2.014 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.500 11.841 1.573 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -6.790 12.800 2.087 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.736 11.999 3.644 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.127 13.771 1.914 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -3.881 14.904 3.247 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.065 10.876 3.388 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.211 10.320 4.423 1.00 0.00 C ATOM 1847 C PRO B 54 -2.279 11.159 5.700 1.00 0.00 C ATOM 1848 O PRO B 54 -1.661 10.815 6.707 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.821 10.284 3.809 1.00 0.00 C ATOM 1850 CG PRO B 54 -0.860 11.246 2.632 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.317 11.566 2.341 1.00 0.00 C ATOM 0 HA PRO B 54 -2.521 9.322 4.733 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.066 10.585 4.535 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.565 9.276 3.482 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.308 12.157 2.865 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.385 10.800 1.758 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.499 12.640 2.367 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.609 11.217 1.350 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.035 12.244 5.618 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.192 13.135 6.755 1.00 0.00 C ATOM 1861 C ALA B 55 -4.590 12.954 7.350 1.00 0.00 C ATOM 1862 O ALA B 55 -5.082 13.827 8.064 1.00 0.00 O ATOM 1863 CB ALA B 55 -2.927 14.576 6.314 1.00 0.00 C ATOM 0 H ALA B 55 -3.546 12.526 4.781 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.469 12.895 7.534 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.045 15.245 7.167 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -1.911 14.657 5.927 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.636 14.854 5.534 1.00 0.00 H new ATOM 1869 N SER B 56 -5.190 11.817 7.033 1.00 0.00 N ATOM 1870 CA SER B 56 -6.522 11.510 7.528 1.00 0.00 C ATOM 1871 C SER B 56 -6.464 10.315 8.481 1.00 0.00 C ATOM 1872 O SER B 56 -5.681 9.389 8.275 1.00 0.00 O ATOM 1873 CB SER B 56 -7.485 11.223 6.374 1.00 0.00 C ATOM 1874 OG SER B 56 -8.721 10.683 6.833 1.00 0.00 O ATOM 0 H SER B 56 -4.779 11.096 6.439 1.00 0.00 H new ATOM 0 HA SER B 56 -6.895 12.380 8.069 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.674 12.144 5.822 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.020 10.524 5.679 1.00 0.00 H new ATOM 0 HG SER B 56 -9.238 10.353 6.069 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.325 10.376 9.532 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.380 9.310 10.518 1.00 0.00 C ATOM 1882 C PRO B 57 -8.097 8.080 9.957 1.00 0.00 C ATOM 1883 O PRO B 57 -7.768 6.950 10.313 1.00 0.00 O ATOM 1884 CB PRO B 57 -8.092 9.918 11.715 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.819 11.145 11.189 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.267 11.457 9.808 1.00 0.00 C ATOM 0 HA PRO B 57 -6.392 8.947 10.801 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.792 9.208 12.155 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.381 10.190 12.495 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.892 10.960 11.138 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.672 11.992 11.859 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.061 11.490 9.062 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.772 12.428 9.790 1.00 0.00 H new ATOM 1894 N MET B 58 -9.062 8.343 9.088 1.00 0.00 N ATOM 1895 CA MET B 58 -9.828 7.271 8.475 1.00 0.00 C ATOM 1896 C MET B 58 -8.986 6.516 7.445 1.00 0.00 C ATOM 1897 O MET B 58 -9.252 5.350 7.155 1.00 0.00 O ATOM 1898 CB MET B 58 -11.067 7.855 7.792 1.00 0.00 C ATOM 1899 CG MET B 58 -12.159 6.795 7.638 1.00 0.00 C ATOM 1900 SD MET B 58 -12.714 6.254 9.246 1.00 0.00 S ATOM 1901 CE MET B 58 -12.965 7.834 10.036 1.00 0.00 C ATOM 0 H MET B 58 -9.331 9.282 8.794 1.00 0.00 H new ATOM 0 HA MET B 58 -10.128 6.571 9.255 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.448 8.692 8.376 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.795 8.248 6.812 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.997 7.203 7.073 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.776 5.946 7.071 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.644 7.715 10.881 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.009 8.220 10.390 1.00 0.00 H new ATOM 0 HE3 MET B 58 -13.396 8.534 9.320 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.986 7.210 6.921 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.104 6.618 5.930 1.00 0.00 C ATOM 1913 C VAL B 59 -6.229 5.557 6.601 1.00 0.00 C ATOM 1914 O VAL B 59 -5.564 4.776 5.922 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.290 7.712 5.235 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -4.938 7.173 4.763 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.073 8.323 4.071 1.00 0.00 C ATOM 0 H VAL B 59 -7.767 8.176 7.164 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.683 6.118 5.153 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.101 8.502 5.962 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.380 7.970 4.273 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.372 6.808 5.620 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.098 6.356 4.059 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -6.472 9.097 3.595 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.307 7.547 3.343 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -7.998 8.761 4.445 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.257 5.564 7.925 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.475 4.612 8.695 1.00 0.00 C ATOM 1929 C LYS B 60 -6.348 3.406 9.045 1.00 0.00 C ATOM 1930 O LYS B 60 -5.908 2.499 9.750 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.850 5.293 9.914 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.241 6.645 9.535 1.00 0.00 C ATOM 1933 CD LYS B 60 -2.914 6.460 8.796 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.824 5.958 9.744 1.00 0.00 C ATOM 1935 NZ LYS B 60 -1.280 4.665 9.270 1.00 0.00 N ATOM 0 H LYS B 60 -6.809 6.214 8.485 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.639 4.240 8.103 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.608 5.435 10.684 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.080 4.650 10.339 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.938 7.198 8.906 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.081 7.241 10.434 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.045 5.751 7.979 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.606 7.406 8.351 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.023 6.694 9.809 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.232 5.841 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.541 4.338 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.044 3.960 9.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -0.872 4.787 8.321 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.572 3.434 8.536 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.511 2.354 8.786 1.00 0.00 C ATOM 1951 C LYS B 61 -8.908 1.711 7.456 1.00 0.00 C ATOM 1952 O LYS B 61 -9.467 0.615 7.434 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.701 2.857 9.605 1.00 0.00 C ATOM 1954 CG LYS B 61 -9.254 3.328 10.991 1.00 0.00 C ATOM 1955 CD LYS B 61 -10.140 2.730 12.085 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.751 3.271 13.462 1.00 0.00 C ATOM 1957 NZ LYS B 61 -10.854 3.071 14.429 1.00 0.00 N ATOM 0 H LYS B 61 -7.934 4.188 7.952 1.00 0.00 H new ATOM 0 HA LYS B 61 -8.044 1.576 9.390 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -10.189 3.677 9.078 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.438 2.061 9.708 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -8.217 3.039 11.160 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -9.294 4.416 11.040 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -11.185 2.964 11.880 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -10.049 1.644 12.078 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -8.853 2.766 13.817 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -9.512 4.332 13.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -10.573 3.444 15.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -11.702 3.573 14.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -11.063 2.056 14.512 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.603 2.419 6.379 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.921 1.931 5.047 1.00 0.00 C ATOM 1973 C ILE B 62 -7.740 1.119 4.511 1.00 0.00 C ATOM 1974 O ILE B 62 -7.888 0.359 3.555 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.335 3.089 4.137 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.501 3.872 4.743 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.651 2.590 2.725 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.487 5.328 4.272 1.00 0.00 C ATOM 0 H ILE B 62 -8.139 3.327 6.401 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.780 1.261 5.081 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.494 3.777 4.055 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.444 3.404 4.461 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.441 3.837 5.831 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -9.943 3.433 2.098 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.768 2.112 2.302 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.468 1.870 2.768 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.326 5.863 4.717 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.553 5.800 4.577 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.572 5.360 3.186 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.595 1.307 5.150 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.389 0.601 4.749 1.00 0.00 C ATOM 1992 C ILE B 63 -5.238 -0.663 5.597 1.00 0.00 C ATOM 1993 O ILE B 63 -5.150 -1.767 5.062 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.177 1.533 4.813 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.177 2.512 3.637 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.875 0.733 4.893 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.480 3.821 4.014 1.00 0.00 C ATOM 0 H ILE B 63 -6.476 1.938 5.943 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.462 0.281 3.710 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.248 2.125 5.725 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.673 2.060 2.783 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.202 2.717 3.330 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.029 1.419 4.937 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.885 0.110 5.788 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.783 0.099 4.011 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.494 4.499 3.161 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.001 4.282 4.853 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.448 3.615 4.297 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.212 -0.460 6.906 1.00 0.00 N ATOM 2010 CA GLU B 64 -5.073 -1.570 7.833 1.00 0.00 C ATOM 2011 C GLU B 64 -6.149 -2.624 7.565 1.00 0.00 C ATOM 2012 O GLU B 64 -5.900 -3.820 7.703 1.00 0.00 O ATOM 2013 CB GLU B 64 -5.130 -1.085 9.283 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.942 -0.175 9.604 1.00 0.00 C ATOM 2015 CD GLU B 64 -4.264 0.755 10.775 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -5.284 0.488 11.448 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.483 1.711 10.972 1.00 0.00 O ATOM 0 H GLU B 64 -5.285 0.457 7.347 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.096 -2.028 7.676 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -6.062 -0.546 9.454 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.129 -1.942 9.957 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -3.070 -0.782 9.846 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.685 0.417 8.725 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.324 -2.141 7.187 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.439 -3.026 6.898 1.00 0.00 C ATOM 2026 C LYS B 65 -8.168 -3.771 5.590 1.00 0.00 C ATOM 2027 O LYS B 65 -8.565 -4.925 5.435 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.756 -2.247 6.901 1.00 0.00 C ATOM 2029 CG LYS B 65 -10.238 -1.990 8.331 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.748 -1.746 8.365 1.00 0.00 C ATOM 2031 CE LYS B 65 -12.340 -2.161 9.713 1.00 0.00 C ATOM 2032 NZ LYS B 65 -13.807 -1.968 9.717 1.00 0.00 N ATOM 0 H LYS B 65 -7.528 -1.148 7.074 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.539 -3.780 7.679 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.622 -1.298 6.382 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.514 -2.806 6.353 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.990 -2.844 8.961 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -9.717 -1.126 8.745 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.954 -0.691 8.183 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -12.229 -2.308 7.564 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -12.104 -3.206 9.914 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -11.888 -1.573 10.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -14.192 -2.255 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -14.026 -0.966 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -14.235 -2.548 8.968 1.00 0.00 H new ATOM 2046 N MET B 66 -7.494 -3.081 4.682 1.00 0.00 N ATOM 2047 CA MET B 66 -7.166 -3.663 3.391 1.00 0.00 C ATOM 2048 C MET B 66 -6.294 -4.909 3.558 1.00 0.00 C ATOM 2049 O MET B 66 -6.515 -5.919 2.892 1.00 0.00 O ATOM 2050 CB MET B 66 -6.424 -2.630 2.540 1.00 0.00 C ATOM 2051 CG MET B 66 -7.151 -2.388 1.215 1.00 0.00 C ATOM 2052 SD MET B 66 -7.281 -3.917 0.303 1.00 0.00 S ATOM 2053 CE MET B 66 -5.551 -4.304 0.097 1.00 0.00 C ATOM 0 H MET B 66 -7.166 -2.124 4.814 1.00 0.00 H new ATOM 0 HA MET B 66 -8.093 -3.955 2.898 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.341 -1.693 3.090 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.409 -2.976 2.344 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.145 -1.982 1.405 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.612 -1.647 0.625 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.395 -4.765 -0.878 1.00 0.00 H new ATOM 0 HE2 MET B 66 -4.963 -3.389 0.164 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.237 -4.995 0.879 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.321 -4.796 4.450 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.415 -5.901 4.713 1.00 0.00 C ATOM 2065 C LEU B 67 -5.190 -7.047 5.365 1.00 0.00 C ATOM 2066 O LEU B 67 -4.707 -8.177 5.419 1.00 0.00 O ATOM 2067 CB LEU B 67 -3.214 -5.426 5.533 1.00 0.00 C ATOM 2068 CG LEU B 67 -2.159 -4.620 4.773 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.796 -3.437 4.040 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -1.030 -4.176 5.705 1.00 0.00 C ATOM 0 H LEU B 67 -5.140 -3.956 5.000 1.00 0.00 H new ATOM 0 HA LEU B 67 -4.003 -6.285 3.780 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.581 -4.818 6.359 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.730 -6.299 5.970 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.715 -5.267 4.016 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -2.024 -2.881 3.508 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.534 -3.805 3.328 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.283 -2.782 4.762 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.294 -3.605 5.139 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.439 -3.553 6.501 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.552 -5.053 6.141 1.00 0.00 H new ATOM 2082 N LYS B 68 -6.380 -6.716 5.845 1.00 0.00 N ATOM 2083 CA LYS B 68 -7.227 -7.704 6.491 1.00 0.00 C ATOM 2084 C LYS B 68 -8.313 -8.157 5.513 1.00 0.00 C ATOM 2085 O LYS B 68 -8.802 -9.282 5.600 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.777 -7.157 7.810 1.00 0.00 C ATOM 2087 CG LYS B 68 -8.949 -8.004 8.309 1.00 0.00 C ATOM 2088 CD LYS B 68 -8.815 -8.301 9.804 1.00 0.00 C ATOM 2089 CE LYS B 68 -9.110 -9.773 10.099 1.00 0.00 C ATOM 2090 NZ LYS B 68 -8.910 -10.064 11.536 1.00 0.00 N ATOM 0 H LYS B 68 -6.777 -5.778 5.799 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.647 -8.588 6.756 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.987 -7.145 8.561 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -8.102 -6.126 7.673 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -9.886 -7.480 8.121 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -8.989 -8.940 7.751 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.807 -8.054 10.139 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -9.502 -7.669 10.367 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -10.135 -10.009 9.813 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -8.458 -10.408 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -9.114 -11.067 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -7.925 -9.858 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -9.550 -9.471 12.103 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.659 -7.257 4.605 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.679 -7.549 3.611 1.00 0.00 C ATOM 2106 C ASN B 69 -11.008 -7.825 4.317 1.00 0.00 C ATOM 2107 O ASN B 69 -11.883 -6.962 4.360 1.00 0.00 O ATOM 2108 CB ASN B 69 -9.311 -8.789 2.794 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.483 -9.235 1.917 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -11.182 -8.435 1.317 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.657 -10.552 1.875 1.00 0.00 N ATOM 0 H ASN B 69 -8.251 -6.325 4.536 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.759 -6.689 2.946 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.445 -8.573 2.168 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -9.025 -9.599 3.465 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -11.412 -10.949 1.316 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -10.035 -11.166 2.402 1.00 0.00 H new