USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl 159:sc= -0.657 (180deg=-0.000219) USER MOD Set 1.2: A 76 MET CE :methyl 156:sc= 0 (180deg=0) USER MOD Set 1.3: A 145 MET CE :methyl -135:sc= -0.43 (180deg=0) USER MOD Set 1.4: B 520 LYS NZ :NH3+ -160:sc= -1.26 (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= -3.43! C(o=-4.7!,f=-4.6!) USER MOD Set 2.2: A 51 MET CE :methyl 174:sc= -1.26 (180deg=-0.00614) USER MOD Set 3.1: A 38 SER OG : rot 128:sc= 0.875 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 111 ASN : amide:sc= 1.01 K(o=1.9,f=0.84) USER MOD Set 4.1: A 21 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.64) USER MOD Set 4.2: A 34 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0383) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 172:sc= -1.17 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.474 USER MOD Single : A 28 THR OG1 : rot 89:sc= 0.484 USER MOD Single : A 29 THR OG1 : rot -130:sc= -3.21! USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= -0.797 (180deg=-0.905) USER MOD Single : A 36 MET CE :methyl -142:sc= -0.0395 (180deg=-0.456) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -173:sc= -1.96! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc=-0.00461 X(o=-0.0046,f=-0.19) USER MOD Single : A 60 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -6:sc= -1.28! USER MOD Single : A 71 MET CE :methyl 169:sc= 0 (180deg=-0.214) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -5.64! (180deg=-5.85!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -32:sc= 0.0904 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 162:sc= -0.938 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 109 MET CE :methyl -146:sc= -0.458 (180deg=-1.59!) USER MOD Single : A 110 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 124 MET CE :methyl 177:sc= -0.283 (180deg=-0.284) USER MOD Single : A 135 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.6!) USER MOD Single : A 137 ASN : amide:sc= -1.43 K(o=-1.4,f=-10!) USER MOD Single : A 138 TYR OH : rot 120:sc= -0.106 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 145:sc= -0.224 (180deg=-2.61!) USER MOD Single : A 146 THR OG1 : rot 180:sc= -2.69! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0.00827 (180deg=0.00827) USER MOD Single : B 526 CYS SG : rot -41:sc= -2.69! USER MOD Single : B 527 MET CE :methyl 145:sc= -0.96 (180deg=-3.25!) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 531 LYS NZ :NH3+ -124:sc= 1.01 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.080 -20.258 7.555 1.00 7.80 N ATOM 2 CA ALA A 1 -2.794 -20.769 6.355 1.00 7.39 C ATOM 3 C ALA A 1 -3.692 -19.695 5.741 1.00 6.58 C ATOM 4 O ALA A 1 -3.752 -19.558 4.515 1.00 6.72 O ATOM 5 CB ALA A 1 -3.610 -22.003 6.714 1.00 7.99 C ATOM 0 H1 ALA A 1 -1.404 -20.975 7.888 1.00 7.80 H new ATOM 0 H2 ALA A 1 -1.568 -19.387 7.309 1.00 7.80 H new ATOM 0 H3 ALA A 1 -2.768 -20.055 8.308 1.00 7.80 H new ATOM 0 HA ALA A 1 -2.047 -21.043 5.610 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -4.128 -22.367 5.827 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -2.946 -22.781 7.092 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -4.341 -21.746 7.481 1.00 7.99 H new ATOM 13 N ASP A 2 -4.386 -18.940 6.602 1.00 6.04 N ATOM 14 CA ASP A 2 -5.287 -17.873 6.156 1.00 5.55 C ATOM 15 C ASP A 2 -4.840 -16.510 6.689 1.00 4.87 C ATOM 16 O ASP A 2 -4.864 -15.517 5.956 1.00 5.13 O ATOM 17 CB ASP A 2 -6.726 -18.164 6.600 1.00 5.87 C ATOM 18 CG ASP A 2 -7.345 -19.328 5.849 1.00 6.52 C ATOM 19 OD1 ASP A 2 -7.953 -19.092 4.784 1.00 7.04 O ATOM 20 OD2 ASP A 2 -7.221 -20.476 6.326 1.00 6.78 O ATOM 0 H ASP A 2 -4.339 -19.050 7.615 1.00 6.04 H new ATOM 0 HA ASP A 2 -5.251 -17.842 5.067 1.00 5.55 H new ATOM 0 HB2 ASP A 2 -6.736 -18.379 7.668 1.00 5.87 H new ATOM 0 HB3 ASP A 2 -7.336 -17.273 6.449 1.00 5.87 H new ATOM 25 N GLN A 3 -4.433 -16.475 7.965 1.00 4.34 N ATOM 26 CA GLN A 3 -3.978 -15.237 8.606 1.00 3.83 C ATOM 27 C GLN A 3 -2.629 -15.438 9.303 1.00 2.55 C ATOM 28 O GLN A 3 -2.496 -16.299 10.178 1.00 2.57 O ATOM 29 CB GLN A 3 -5.036 -14.703 9.601 1.00 4.64 C ATOM 30 CG GLN A 3 -5.548 -15.723 10.621 1.00 5.89 C ATOM 31 CD GLN A 3 -6.583 -15.136 11.562 1.00 6.86 C ATOM 32 OE1 GLN A 3 -6.247 -14.610 12.623 1.00 7.41 O ATOM 33 NE2 GLN A 3 -7.851 -15.225 11.177 1.00 7.35 N ATOM 0 H GLN A 3 -4.410 -17.293 8.574 1.00 4.34 H new ATOM 0 HA GLN A 3 -3.844 -14.490 7.823 1.00 3.83 H new ATOM 0 HB2 GLN A 3 -4.609 -13.857 10.140 1.00 4.64 H new ATOM 0 HB3 GLN A 3 -5.886 -14.323 9.033 1.00 4.64 H new ATOM 0 HG2 GLN A 3 -5.982 -16.573 10.094 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -4.708 -16.104 11.202 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -8.084 -15.669 10.289 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -8.591 -14.849 11.769 1.00 7.35 H new ATOM 42 N LEU A 4 -1.637 -14.636 8.899 1.00 2.09 N ATOM 43 CA LEU A 4 -0.291 -14.708 9.473 1.00 1.43 C ATOM 44 C LEU A 4 -0.090 -13.615 10.530 1.00 1.51 C ATOM 45 O LEU A 4 -1.073 -13.098 11.071 1.00 1.86 O ATOM 46 CB LEU A 4 0.765 -14.617 8.353 1.00 2.32 C ATOM 47 CG LEU A 4 0.810 -15.811 7.388 1.00 2.86 C ATOM 48 CD1 LEU A 4 1.295 -15.368 6.017 1.00 3.65 C ATOM 49 CD2 LEU A 4 1.710 -16.915 7.933 1.00 3.75 C ATOM 0 H LEU A 4 -1.743 -13.927 8.173 1.00 2.09 H new ATOM 0 HA LEU A 4 -0.171 -15.668 9.975 1.00 1.43 H new ATOM 0 HB2 LEU A 4 0.579 -13.712 7.775 1.00 2.32 H new ATOM 0 HB3 LEU A 4 1.747 -14.506 8.812 1.00 2.32 H new ATOM 0 HG LEU A 4 -0.201 -16.207 7.292 1.00 2.86 H new ATOM 0 HD11 LEU A 4 1.321 -16.226 5.345 1.00 3.65 H new ATOM 0 HD12 LEU A 4 0.616 -14.615 5.617 1.00 3.65 H new ATOM 0 HD13 LEU A 4 2.296 -14.945 6.104 1.00 3.65 H new ATOM 0 HD21 LEU A 4 1.726 -17.750 7.233 1.00 3.75 H new ATOM 0 HD22 LEU A 4 2.721 -16.530 8.062 1.00 3.75 H new ATOM 0 HD23 LEU A 4 1.326 -17.256 8.895 1.00 3.75 H new ATOM 61 N THR A 5 1.177 -13.268 10.841 1.00 1.73 N ATOM 62 CA THR A 5 1.470 -12.213 11.821 1.00 2.05 C ATOM 63 C THR A 5 0.949 -10.871 11.304 1.00 1.66 C ATOM 64 O THR A 5 1.012 -10.602 10.104 1.00 1.15 O ATOM 65 CB THR A 5 2.976 -12.096 12.145 1.00 2.63 C ATOM 66 OG1 THR A 5 3.686 -13.257 11.689 1.00 3.14 O ATOM 67 CG2 THR A 5 3.193 -11.930 13.643 1.00 3.26 C ATOM 0 H THR A 5 2.003 -13.702 10.429 1.00 1.73 H new ATOM 0 HA THR A 5 0.964 -12.487 12.747 1.00 2.05 H new ATOM 0 HB THR A 5 3.359 -11.216 11.627 1.00 2.63 H new ATOM 0 HG1 THR A 5 4.650 -13.110 11.785 1.00 3.14 H new ATOM 0 HG21 THR A 5 4.260 -11.850 13.849 1.00 3.26 H new ATOM 0 HG22 THR A 5 2.688 -11.027 13.986 1.00 3.26 H new ATOM 0 HG23 THR A 5 2.786 -12.795 14.168 1.00 3.26 H new ATOM 75 N GLU A 6 0.497 -10.029 12.236 1.00 2.22 N ATOM 76 CA GLU A 6 -0.126 -8.716 11.951 1.00 2.15 C ATOM 77 C GLU A 6 0.505 -7.912 10.804 1.00 1.73 C ATOM 78 O GLU A 6 -0.215 -7.489 9.897 1.00 1.38 O ATOM 79 CB GLU A 6 -0.097 -7.872 13.222 1.00 2.80 C ATOM 80 CG GLU A 6 -1.121 -8.293 14.267 1.00 3.25 C ATOM 81 CD GLU A 6 -1.133 -7.378 15.476 1.00 3.82 C ATOM 82 OE1 GLU A 6 -2.063 -6.552 15.585 1.00 4.39 O ATOM 83 OE2 GLU A 6 -0.212 -7.488 16.313 1.00 4.09 O ATOM 0 H GLU A 6 0.551 -10.237 13.233 1.00 2.22 H new ATOM 0 HA GLU A 6 -1.139 -8.942 11.619 1.00 2.15 H new ATOM 0 HB2 GLU A 6 0.899 -7.928 13.661 1.00 2.80 H new ATOM 0 HB3 GLU A 6 -0.270 -6.829 12.958 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -2.113 -8.304 13.815 1.00 3.25 H new ATOM 0 HG3 GLU A 6 -0.907 -9.312 14.590 1.00 3.25 H new ATOM 90 N GLU A 7 1.827 -7.707 10.834 1.00 1.90 N ATOM 91 CA GLU A 7 2.499 -6.926 9.797 1.00 1.65 C ATOM 92 C GLU A 7 2.859 -7.749 8.570 1.00 1.44 C ATOM 93 O GLU A 7 3.115 -7.188 7.499 1.00 1.23 O ATOM 94 CB GLU A 7 3.746 -6.229 10.350 1.00 2.06 C ATOM 95 CG GLU A 7 3.446 -5.081 11.302 1.00 2.28 C ATOM 96 CD GLU A 7 4.704 -4.469 11.886 1.00 2.65 C ATOM 97 OE1 GLU A 7 5.158 -4.947 12.947 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.234 -3.513 11.283 1.00 2.91 O ATOM 0 H GLU A 7 2.446 -8.069 11.560 1.00 1.90 H new ATOM 0 HA GLU A 7 1.780 -6.172 9.477 1.00 1.65 H new ATOM 0 HB2 GLU A 7 4.361 -6.965 10.868 1.00 2.06 H new ATOM 0 HB3 GLU A 7 4.337 -5.850 9.516 1.00 2.06 H new ATOM 0 HG2 GLU A 7 2.883 -4.312 10.773 1.00 2.28 H new ATOM 0 HG3 GLU A 7 2.811 -5.441 12.112 1.00 2.28 H new ATOM 105 N GLN A 8 2.879 -9.070 8.725 1.00 1.67 N ATOM 106 CA GLN A 8 3.178 -9.975 7.615 1.00 1.66 C ATOM 107 C GLN A 8 1.986 -10.005 6.656 1.00 1.23 C ATOM 108 O GLN A 8 2.151 -9.890 5.440 1.00 1.28 O ATOM 109 CB GLN A 8 3.495 -11.384 8.143 1.00 1.98 C ATOM 110 CG GLN A 8 4.558 -11.405 9.240 1.00 2.48 C ATOM 111 CD GLN A 8 5.974 -11.413 8.691 1.00 2.88 C ATOM 112 OE1 GLN A 8 6.574 -10.360 8.475 1.00 3.21 O ATOM 113 NE2 GLN A 8 6.513 -12.605 8.463 1.00 3.41 N ATOM 0 H GLN A 8 2.691 -9.540 9.610 1.00 1.67 H new ATOM 0 HA GLN A 8 4.056 -9.616 7.078 1.00 1.66 H new ATOM 0 HB2 GLN A 8 2.579 -11.832 8.528 1.00 1.98 H new ATOM 0 HB3 GLN A 8 3.830 -12.006 7.313 1.00 1.98 H new ATOM 0 HG2 GLN A 8 4.428 -10.534 9.882 1.00 2.48 H new ATOM 0 HG3 GLN A 8 4.411 -12.286 9.865 1.00 2.48 H new ATOM 0 HE21 GLN A 8 5.979 -13.452 8.657 1.00 3.41 H new ATOM 0 HE22 GLN A 8 7.461 -12.674 8.094 1.00 3.41 H new ATOM 122 N ILE A 9 0.787 -10.149 7.239 1.00 0.97 N ATOM 123 CA ILE A 9 -0.475 -10.162 6.485 1.00 0.68 C ATOM 124 C ILE A 9 -1.050 -8.756 6.308 1.00 0.57 C ATOM 125 O ILE A 9 -1.943 -8.556 5.486 1.00 0.67 O ATOM 126 CB ILE A 9 -1.575 -11.088 7.087 1.00 0.76 C ATOM 127 CG1 ILE A 9 -1.323 -11.409 8.546 1.00 1.22 C ATOM 128 CG2 ILE A 9 -1.713 -12.365 6.281 1.00 1.14 C ATOM 129 CD1 ILE A 9 -1.897 -10.356 9.439 1.00 2.46 C ATOM 0 H ILE A 9 0.665 -10.260 8.246 1.00 0.97 H new ATOM 0 HA ILE A 9 -0.199 -10.576 5.515 1.00 0.68 H new ATOM 0 HB ILE A 9 -2.513 -10.536 7.033 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -1.764 -12.376 8.790 1.00 1.22 H new ATOM 0 HG13 ILE A 9 -0.251 -11.494 8.722 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -2.487 -12.992 6.723 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -1.987 -12.120 5.255 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -0.765 -12.902 6.285 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -1.700 -10.614 10.479 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -1.437 -9.395 9.211 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -2.973 -10.290 9.279 1.00 2.46 H new ATOM 141 N ALA A 10 -0.511 -7.782 7.070 1.00 0.59 N ATOM 142 CA ALA A 10 -0.978 -6.372 7.046 1.00 0.64 C ATOM 143 C ALA A 10 -1.247 -5.770 5.667 1.00 0.58 C ATOM 144 O ALA A 10 -2.172 -4.965 5.529 1.00 0.70 O ATOM 145 CB ALA A 10 0.052 -5.470 7.686 1.00 0.80 C ATOM 0 H ALA A 10 0.259 -7.946 7.719 1.00 0.59 H new ATOM 0 HA ALA A 10 -1.926 -6.420 7.581 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -0.302 -4.439 7.662 1.00 0.80 H new ATOM 0 HB2 ALA A 10 0.211 -5.775 8.720 1.00 0.80 H new ATOM 0 HB3 ALA A 10 0.991 -5.544 7.138 1.00 0.80 H new ATOM 151 N GLU A 11 -0.468 -6.156 4.653 1.00 0.50 N ATOM 152 CA GLU A 11 -0.607 -5.531 3.344 1.00 0.51 C ATOM 153 C GLU A 11 -1.649 -6.232 2.471 1.00 0.49 C ATOM 154 O GLU A 11 -2.660 -5.624 2.118 1.00 0.50 O ATOM 155 CB GLU A 11 0.745 -5.446 2.611 1.00 0.59 C ATOM 156 CG GLU A 11 0.709 -4.600 1.329 1.00 0.64 C ATOM 157 CD GLU A 11 0.454 -5.432 0.085 1.00 0.88 C ATOM 158 OE1 GLU A 11 -0.723 -5.560 -0.313 1.00 1.48 O ATOM 159 OE2 GLU A 11 1.431 -5.956 -0.489 1.00 1.48 O ATOM 0 H GLU A 11 0.247 -6.881 4.713 1.00 0.50 H new ATOM 0 HA GLU A 11 -0.963 -4.517 3.525 1.00 0.51 H new ATOM 0 HB2 GLU A 11 1.489 -5.028 3.289 1.00 0.59 H new ATOM 0 HB3 GLU A 11 1.074 -6.454 2.360 1.00 0.59 H new ATOM 0 HG2 GLU A 11 -0.069 -3.842 1.420 1.00 0.64 H new ATOM 0 HG3 GLU A 11 1.656 -4.072 1.220 1.00 0.64 H new ATOM 166 N PHE A 12 -1.410 -7.517 2.142 1.00 0.52 N ATOM 167 CA PHE A 12 -2.328 -8.262 1.275 1.00 0.53 C ATOM 168 C PHE A 12 -3.687 -8.496 1.924 1.00 0.49 C ATOM 169 O PHE A 12 -4.658 -8.756 1.215 1.00 0.54 O ATOM 170 CB PHE A 12 -1.719 -9.571 0.728 1.00 0.63 C ATOM 171 CG PHE A 12 -1.032 -10.471 1.722 1.00 1.22 C ATOM 172 CD1 PHE A 12 0.237 -10.172 2.190 1.00 2.05 C ATOM 173 CD2 PHE A 12 -1.643 -11.637 2.151 1.00 2.14 C ATOM 174 CE1 PHE A 12 0.881 -11.018 3.070 1.00 3.03 C ATOM 175 CE2 PHE A 12 -1.006 -12.483 3.034 1.00 3.14 C ATOM 176 CZ PHE A 12 0.259 -12.174 3.494 1.00 3.44 C ATOM 0 H PHE A 12 -0.600 -8.049 2.461 1.00 0.52 H new ATOM 0 HA PHE A 12 -2.496 -7.619 0.411 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -2.515 -10.141 0.248 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -1.000 -9.312 -0.049 1.00 0.63 H new ATOM 0 HD1 PHE A 12 0.728 -9.267 1.863 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -2.630 -11.887 1.790 1.00 2.14 H new ATOM 0 HE1 PHE A 12 1.871 -10.775 3.426 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -1.496 -13.387 3.366 1.00 3.14 H new ATOM 0 HZ PHE A 12 0.760 -12.836 4.184 1.00 3.44 H new ATOM 186 N LYS A 13 -3.762 -8.410 3.268 1.00 0.47 N ATOM 187 CA LYS A 13 -5.034 -8.543 3.963 1.00 0.48 C ATOM 188 C LYS A 13 -5.939 -7.376 3.699 1.00 0.48 C ATOM 189 O LYS A 13 -7.100 -7.530 3.320 1.00 0.52 O ATOM 190 CB LYS A 13 -4.857 -8.587 5.477 1.00 0.51 C ATOM 191 CG LYS A 13 -6.058 -9.175 6.178 1.00 0.57 C ATOM 192 CD LYS A 13 -6.217 -10.630 5.780 1.00 0.60 C ATOM 193 CE LYS A 13 -7.676 -11.057 5.756 1.00 0.66 C ATOM 194 NZ LYS A 13 -7.828 -12.495 5.402 1.00 1.21 N ATOM 0 H LYS A 13 -2.960 -8.251 3.877 1.00 0.47 H new ATOM 0 HA LYS A 13 -5.462 -9.473 3.588 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -3.973 -9.176 5.720 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -4.680 -7.578 5.849 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -5.937 -9.094 7.258 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -6.956 -8.615 5.915 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -5.777 -10.787 4.795 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -5.666 -11.259 6.479 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -8.124 -10.874 6.733 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -8.221 -10.446 5.036 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -8.837 -12.746 5.396 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -7.424 -12.665 4.459 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -7.329 -13.080 6.103 1.00 1.21 H new ATOM 208 N GLU A 14 -5.397 -6.213 3.964 1.00 0.47 N ATOM 209 CA GLU A 14 -6.126 -5.003 3.818 1.00 0.49 C ATOM 210 C GLU A 14 -6.330 -4.687 2.346 1.00 0.49 C ATOM 211 O GLU A 14 -7.343 -4.108 1.944 1.00 0.54 O ATOM 212 CB GLU A 14 -5.375 -3.886 4.525 1.00 0.50 C ATOM 213 CG GLU A 14 -5.606 -3.816 6.027 1.00 0.52 C ATOM 214 CD GLU A 14 -6.793 -2.950 6.402 1.00 1.25 C ATOM 215 OE1 GLU A 14 -6.607 -1.727 6.568 1.00 1.99 O ATOM 216 OE2 GLU A 14 -7.909 -3.496 6.530 1.00 1.95 O ATOM 0 H GLU A 14 -4.437 -6.091 4.286 1.00 0.47 H new ATOM 0 HA GLU A 14 -7.112 -5.105 4.271 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -4.308 -4.011 4.341 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -5.666 -2.934 4.082 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -5.761 -4.823 6.413 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -4.710 -3.425 6.509 1.00 0.52 H new ATOM 223 N ALA A 15 -5.329 -5.089 1.561 1.00 0.46 N ATOM 224 CA ALA A 15 -5.350 -4.942 0.114 1.00 0.48 C ATOM 225 C ALA A 15 -6.130 -6.081 -0.533 1.00 0.50 C ATOM 226 O ALA A 15 -6.203 -6.214 -1.761 1.00 0.55 O ATOM 227 CB ALA A 15 -3.942 -4.841 -0.453 1.00 0.50 C ATOM 0 H ALA A 15 -4.480 -5.527 1.918 1.00 0.46 H new ATOM 0 HA ALA A 15 -5.861 -4.009 -0.122 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.993 -4.732 -1.536 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -3.438 -3.974 -0.024 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -3.384 -5.744 -0.205 1.00 0.50 H new ATOM 233 N PHE A 16 -6.719 -6.878 0.344 1.00 0.49 N ATOM 234 CA PHE A 16 -7.566 -8.012 -0.030 1.00 0.53 C ATOM 235 C PHE A 16 -8.978 -7.479 -0.251 1.00 0.57 C ATOM 236 O PHE A 16 -9.672 -7.901 -1.179 1.00 0.60 O ATOM 237 CB PHE A 16 -7.565 -9.115 1.052 1.00 0.55 C ATOM 238 CG PHE A 16 -8.074 -10.450 0.573 1.00 0.56 C ATOM 239 CD1 PHE A 16 -7.202 -11.397 0.061 1.00 1.27 C ATOM 240 CD2 PHE A 16 -9.425 -10.754 0.638 1.00 1.27 C ATOM 241 CE1 PHE A 16 -7.668 -12.623 -0.378 1.00 1.31 C ATOM 242 CE2 PHE A 16 -9.897 -11.977 0.201 1.00 1.27 C ATOM 243 CZ PHE A 16 -9.017 -12.913 -0.307 1.00 0.62 C ATOM 0 H PHE A 16 -6.624 -6.758 1.352 1.00 0.49 H new ATOM 0 HA PHE A 16 -7.178 -8.472 -0.939 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -6.549 -9.239 1.427 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -8.177 -8.785 1.892 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -6.147 -11.175 0.004 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -10.117 -10.026 1.035 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -6.978 -13.353 -0.776 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -10.952 -12.201 0.256 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.383 -13.870 -0.648 1.00 0.62 H new ATOM 253 N SER A 17 -9.385 -6.537 0.623 1.00 0.61 N ATOM 254 CA SER A 17 -10.700 -5.900 0.518 1.00 0.67 C ATOM 255 C SER A 17 -10.667 -4.714 -0.460 1.00 0.74 C ATOM 256 O SER A 17 -11.718 -4.226 -0.883 1.00 0.78 O ATOM 257 CB SER A 17 -11.190 -5.446 1.897 1.00 0.74 C ATOM 258 OG SER A 17 -12.541 -5.019 1.850 1.00 1.41 O ATOM 0 H SER A 17 -8.820 -6.206 1.405 1.00 0.61 H new ATOM 0 HA SER A 17 -11.399 -6.639 0.126 1.00 0.67 H new ATOM 0 HB2 SER A 17 -11.090 -6.266 2.608 1.00 0.74 H new ATOM 0 HB3 SER A 17 -10.562 -4.632 2.258 1.00 0.74 H new ATOM 0 HG SER A 17 -12.826 -4.737 2.744 1.00 1.41 H new ATOM 264 N LEU A 18 -9.443 -4.260 -0.801 1.00 0.79 N ATOM 265 CA LEU A 18 -9.222 -3.136 -1.742 1.00 0.91 C ATOM 266 C LEU A 18 -9.934 -3.375 -3.075 1.00 0.81 C ATOM 267 O LEU A 18 -10.622 -2.495 -3.601 1.00 0.79 O ATOM 268 CB LEU A 18 -7.719 -2.979 -2.060 1.00 1.26 C ATOM 269 CG LEU A 18 -6.934 -1.811 -1.429 1.00 0.69 C ATOM 270 CD1 LEU A 18 -5.529 -1.816 -1.990 1.00 1.59 C ATOM 271 CD2 LEU A 18 -7.553 -0.453 -1.714 1.00 0.83 C ATOM 0 H LEU A 18 -8.580 -4.660 -0.434 1.00 0.79 H new ATOM 0 HA LEU A 18 -9.616 -2.243 -1.256 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -7.223 -3.904 -1.766 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.620 -2.894 -3.142 1.00 1.26 H new ATOM 0 HG LEU A 18 -6.948 -1.960 -0.349 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -4.960 -0.995 -1.553 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.044 -2.762 -1.749 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -5.569 -1.694 -3.072 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.954 0.326 -1.243 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.584 -0.286 -2.791 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -8.566 -0.424 -1.313 1.00 0.83 H new ATOM 283 N PHE A 19 -9.743 -4.588 -3.592 1.00 0.84 N ATOM 284 CA PHE A 19 -10.302 -5.013 -4.868 1.00 0.86 C ATOM 285 C PHE A 19 -11.624 -5.728 -4.686 1.00 0.75 C ATOM 286 O PHE A 19 -12.602 -5.430 -5.355 1.00 0.79 O ATOM 287 CB PHE A 19 -9.365 -6.022 -5.552 1.00 1.02 C ATOM 288 CG PHE A 19 -7.922 -5.599 -5.718 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.075 -5.482 -4.621 1.00 1.41 C ATOM 290 CD2 PHE A 19 -7.412 -5.335 -6.978 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.756 -5.105 -4.783 1.00 1.60 C ATOM 292 CE2 PHE A 19 -6.094 -4.958 -7.142 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.266 -4.842 -6.045 1.00 1.28 C ATOM 0 H PHE A 19 -9.189 -5.309 -3.129 1.00 0.84 H new ATOM 0 HA PHE A 19 -10.432 -4.109 -5.464 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -9.385 -6.949 -4.979 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.770 -6.249 -6.538 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.453 -5.688 -3.631 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -8.053 -5.425 -7.843 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -5.109 -5.016 -3.923 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -5.711 -4.754 -8.131 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.236 -4.546 -6.174 1.00 1.28 H new ATOM 303 N ASP A 20 -11.632 -6.656 -3.735 1.00 0.68 N ATOM 304 CA ASP A 20 -12.766 -7.528 -3.484 1.00 0.63 C ATOM 305 C ASP A 20 -14.082 -6.781 -3.113 1.00 0.66 C ATOM 306 O ASP A 20 -14.305 -6.409 -1.956 1.00 0.74 O ATOM 307 CB ASP A 20 -12.325 -8.617 -2.447 1.00 0.60 C ATOM 308 CG ASP A 20 -13.177 -8.724 -1.182 1.00 1.67 C ATOM 309 OD1 ASP A 20 -14.370 -9.073 -1.289 1.00 2.45 O ATOM 310 OD2 ASP A 20 -12.640 -8.458 -0.086 1.00 2.31 O ATOM 0 H ASP A 20 -10.842 -6.823 -3.112 1.00 0.68 H new ATOM 0 HA ASP A 20 -13.045 -8.021 -4.415 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -12.327 -9.586 -2.945 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -11.296 -8.413 -2.151 1.00 0.60 H new ATOM 315 N LYS A 21 -14.913 -6.513 -4.145 1.00 0.73 N ATOM 316 CA LYS A 21 -16.250 -5.910 -3.954 1.00 0.80 C ATOM 317 C LYS A 21 -17.222 -7.044 -3.704 1.00 0.82 C ATOM 318 O LYS A 21 -18.064 -7.004 -2.804 1.00 0.91 O ATOM 319 CB LYS A 21 -16.717 -5.104 -5.166 1.00 1.01 C ATOM 320 CG LYS A 21 -15.965 -3.810 -5.353 1.00 0.97 C ATOM 321 CD LYS A 21 -14.823 -4.023 -6.313 1.00 0.95 C ATOM 322 CE LYS A 21 -13.869 -2.832 -6.342 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.422 -1.690 -7.124 1.00 1.63 N ATOM 0 H LYS A 21 -14.680 -6.705 -5.119 1.00 0.73 H new ATOM 0 HA LYS A 21 -16.202 -5.214 -3.117 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.605 -5.713 -6.063 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -17.780 -4.886 -5.060 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.635 -3.040 -5.735 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -15.586 -3.456 -4.394 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -14.274 -4.920 -6.029 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -15.218 -4.195 -7.314 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.664 -2.507 -5.322 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.918 -3.141 -6.775 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -13.663 -1.253 -7.684 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -15.168 -2.035 -7.761 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.822 -0.984 -6.473 1.00 1.63 H new ATOM 337 N ASP A 22 -17.057 -8.056 -4.555 1.00 0.85 N ATOM 338 CA ASP A 22 -17.818 -9.304 -4.490 1.00 0.97 C ATOM 339 C ASP A 22 -17.053 -10.267 -3.572 1.00 0.88 C ATOM 340 O ASP A 22 -17.612 -10.792 -2.604 1.00 1.02 O ATOM 341 CB ASP A 22 -18.006 -9.896 -5.897 1.00 1.12 C ATOM 342 CG ASP A 22 -19.140 -10.905 -5.968 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.883 -12.104 -5.730 1.00 2.09 O ATOM 344 OD2 ASP A 22 -20.282 -10.494 -6.260 1.00 1.48 O ATOM 0 H ASP A 22 -16.382 -8.032 -5.319 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.816 -9.127 -4.088 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -18.201 -9.088 -6.602 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -17.079 -10.376 -6.210 1.00 1.12 H new ATOM 349 N GLY A 23 -15.764 -10.487 -3.901 1.00 0.75 N ATOM 350 CA GLY A 23 -14.884 -11.308 -3.078 1.00 0.75 C ATOM 351 C GLY A 23 -15.183 -12.787 -3.034 1.00 0.85 C ATOM 352 O GLY A 23 -15.367 -13.350 -1.951 1.00 1.01 O ATOM 0 H GLY A 23 -15.319 -10.102 -4.734 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.863 -11.178 -3.437 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.915 -10.924 -2.058 1.00 0.75 H new ATOM 356 N ASP A 24 -15.234 -13.416 -4.207 1.00 0.82 N ATOM 357 CA ASP A 24 -15.433 -14.870 -4.317 1.00 0.95 C ATOM 358 C ASP A 24 -14.161 -15.565 -3.799 1.00 0.87 C ATOM 359 O ASP A 24 -14.039 -16.794 -3.758 1.00 0.96 O ATOM 360 CB ASP A 24 -15.609 -15.206 -5.780 1.00 1.00 C ATOM 361 CG ASP A 24 -16.241 -16.566 -6.024 1.00 1.41 C ATOM 362 OD1 ASP A 24 -17.486 -16.638 -6.093 1.00 1.96 O ATOM 363 OD2 ASP A 24 -15.490 -17.557 -6.147 1.00 1.93 O ATOM 0 H ASP A 24 -15.140 -12.941 -5.105 1.00 0.82 H new ATOM 0 HA ASP A 24 -16.302 -15.193 -3.744 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.227 -14.439 -6.248 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.636 -15.174 -6.270 1.00 1.00 H new ATOM 368 N GLY A 25 -13.251 -14.691 -3.404 1.00 0.74 N ATOM 369 CA GLY A 25 -11.950 -15.036 -2.866 1.00 0.72 C ATOM 370 C GLY A 25 -10.848 -14.686 -3.838 1.00 0.65 C ATOM 371 O GLY A 25 -9.672 -14.975 -3.597 1.00 0.69 O ATOM 0 H GLY A 25 -13.406 -13.684 -3.452 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.791 -14.508 -1.926 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.917 -16.102 -2.643 1.00 0.72 H new ATOM 375 N THR A 26 -11.255 -14.059 -4.943 1.00 0.62 N ATOM 376 CA THR A 26 -10.347 -13.613 -5.979 1.00 0.58 C ATOM 377 C THR A 26 -10.500 -12.124 -6.275 1.00 0.57 C ATOM 378 O THR A 26 -11.352 -11.436 -5.704 1.00 0.64 O ATOM 379 CB THR A 26 -10.590 -14.372 -7.285 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.979 -14.307 -7.643 1.00 0.63 O ATOM 381 CG2 THR A 26 -10.170 -15.820 -7.148 1.00 0.64 C ATOM 0 H THR A 26 -12.234 -13.849 -5.137 1.00 0.62 H new ATOM 0 HA THR A 26 -9.343 -13.808 -5.603 1.00 0.58 H new ATOM 0 HB THR A 26 -9.992 -13.905 -8.067 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.227 -15.114 -8.141 1.00 0.63 H new ATOM 0 HG21 THR A 26 -10.351 -16.342 -8.088 1.00 0.64 H new ATOM 0 HG22 THR A 26 -9.109 -15.870 -6.904 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.747 -16.293 -6.353 1.00 0.64 H new ATOM 389 N ILE A 27 -9.647 -11.658 -7.182 1.00 0.54 N ATOM 390 CA ILE A 27 -9.621 -10.301 -7.633 1.00 0.53 C ATOM 391 C ILE A 27 -9.938 -10.217 -9.083 1.00 0.53 C ATOM 392 O ILE A 27 -9.300 -10.837 -9.914 1.00 0.51 O ATOM 393 CB ILE A 27 -8.268 -9.683 -7.333 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.305 -9.295 -5.886 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.925 -8.488 -8.227 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.494 -10.203 -4.988 1.00 0.54 C ATOM 0 H ILE A 27 -8.941 -12.244 -7.627 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.386 -9.739 -7.097 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.478 -10.404 -7.543 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.936 -8.275 -5.784 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -9.341 -9.295 -5.546 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.944 -8.099 -7.954 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.912 -8.805 -9.270 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.674 -7.708 -8.094 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.570 -9.858 -3.957 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.877 -11.221 -5.059 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.450 -10.185 -5.300 1.00 0.54 H new ATOM 408 N THR A 28 -10.890 -9.385 -9.361 1.00 0.59 N ATOM 409 CA THR A 28 -11.354 -9.191 -10.715 1.00 0.61 C ATOM 410 C THR A 28 -10.789 -7.930 -11.315 1.00 0.58 C ATOM 411 O THR A 28 -10.227 -7.067 -10.632 1.00 0.57 O ATOM 412 CB THR A 28 -12.886 -9.141 -10.770 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.459 -9.792 -9.626 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.432 -9.784 -12.043 1.00 0.73 C ATOM 0 H THR A 28 -11.373 -8.818 -8.664 1.00 0.59 H new ATOM 0 HA THR A 28 -11.004 -10.043 -11.298 1.00 0.61 H new ATOM 0 HB THR A 28 -13.167 -8.088 -10.769 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.556 -9.145 -8.896 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.521 -9.727 -12.041 1.00 0.73 H new ATOM 0 HG22 THR A 28 -13.042 -9.256 -12.913 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.123 -10.829 -12.084 1.00 0.73 H new ATOM 422 N THR A 29 -10.968 -7.865 -12.616 1.00 0.58 N ATOM 423 CA THR A 29 -10.508 -6.767 -13.442 1.00 0.57 C ATOM 424 C THR A 29 -11.230 -5.463 -13.083 1.00 0.62 C ATOM 425 O THR A 29 -10.570 -4.458 -12.820 1.00 0.64 O ATOM 426 CB THR A 29 -10.650 -7.087 -14.964 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.840 -6.504 -15.514 1.00 0.66 O ATOM 428 CG2 THR A 29 -10.675 -8.581 -15.255 1.00 0.59 C ATOM 0 H THR A 29 -11.450 -8.593 -13.144 1.00 0.58 H new ATOM 0 HA THR A 29 -9.446 -6.632 -13.236 1.00 0.57 H new ATOM 0 HB THR A 29 -9.766 -6.654 -15.432 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.336 -7.184 -16.016 1.00 0.66 H new ATOM 0 HG21 THR A 29 -10.775 -8.741 -16.329 1.00 0.59 H new ATOM 0 HG22 THR A 29 -9.748 -9.035 -14.905 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.520 -9.038 -14.740 1.00 0.59 H new ATOM 436 N LYS A 30 -12.583 -5.491 -13.006 1.00 0.77 N ATOM 437 CA LYS A 30 -13.367 -4.282 -12.659 1.00 0.85 C ATOM 438 C LYS A 30 -12.863 -3.640 -11.353 1.00 0.84 C ATOM 439 O LYS A 30 -13.118 -2.466 -11.088 1.00 0.93 O ATOM 440 CB LYS A 30 -14.885 -4.579 -12.587 1.00 1.01 C ATOM 441 CG LYS A 30 -15.356 -5.435 -11.396 1.00 1.06 C ATOM 442 CD LYS A 30 -15.369 -6.927 -11.720 1.00 1.10 C ATOM 443 CE LYS A 30 -16.661 -7.355 -12.411 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.680 -8.816 -12.698 1.00 1.66 N ATOM 0 H LYS A 30 -13.146 -6.324 -13.177 1.00 0.77 H new ATOM 0 HA LYS A 30 -13.216 -3.562 -13.464 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.419 -3.629 -12.558 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.179 -5.082 -13.508 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.701 -5.257 -10.543 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -16.357 -5.122 -11.100 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -14.520 -7.165 -12.361 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -15.244 -7.498 -10.800 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -17.512 -7.098 -11.781 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.775 -6.801 -13.342 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.594 -9.075 -13.121 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -15.913 -9.050 -13.361 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.546 -9.345 -11.813 1.00 1.66 H new ATOM 458 N GLU A 31 -12.153 -4.452 -10.558 1.00 0.82 N ATOM 459 CA GLU A 31 -11.557 -4.031 -9.304 1.00 0.87 C ATOM 460 C GLU A 31 -10.165 -3.453 -9.537 1.00 0.78 C ATOM 461 O GLU A 31 -9.882 -2.320 -9.144 1.00 0.81 O ATOM 462 CB GLU A 31 -11.437 -5.211 -8.326 1.00 1.02 C ATOM 463 CG GLU A 31 -12.686 -6.085 -8.209 1.00 1.82 C ATOM 464 CD GLU A 31 -12.446 -7.419 -7.506 1.00 2.69 C ATOM 465 OE1 GLU A 31 -11.277 -7.748 -7.200 1.00 3.34 O ATOM 466 OE2 GLU A 31 -13.438 -8.137 -7.260 1.00 3.27 O ATOM 0 H GLU A 31 -11.980 -5.432 -10.780 1.00 0.82 H new ATOM 0 HA GLU A 31 -12.208 -3.269 -8.876 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.602 -5.838 -8.638 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -11.191 -4.821 -7.338 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -13.454 -5.533 -7.667 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -13.077 -6.278 -9.208 1.00 1.82 H new ATOM 473 N LEU A 32 -9.312 -4.254 -10.207 1.00 0.68 N ATOM 474 CA LEU A 32 -7.922 -3.890 -10.512 1.00 0.60 C ATOM 475 C LEU A 32 -7.812 -2.559 -11.249 1.00 0.66 C ATOM 476 O LEU A 32 -6.780 -1.900 -11.156 1.00 0.72 O ATOM 477 CB LEU A 32 -7.248 -5.048 -11.283 1.00 0.54 C ATOM 478 CG LEU A 32 -5.787 -4.860 -11.771 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.856 -4.311 -10.690 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.242 -6.181 -12.278 1.00 0.44 C ATOM 0 H LEU A 32 -9.575 -5.177 -10.552 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.390 -3.739 -9.573 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.273 -5.931 -10.644 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.863 -5.268 -12.155 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.818 -4.122 -12.572 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.850 -4.203 -11.096 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.219 -3.339 -10.357 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.834 -4.999 -9.845 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.216 -6.044 -12.620 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.262 -6.916 -11.473 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.856 -6.534 -13.106 1.00 0.44 H new ATOM 492 N GLY A 33 -8.874 -2.179 -11.968 1.00 0.71 N ATOM 493 CA GLY A 33 -8.887 -0.906 -12.666 1.00 0.80 C ATOM 494 C GLY A 33 -9.292 0.237 -11.769 1.00 0.83 C ATOM 495 O GLY A 33 -8.857 1.375 -11.956 1.00 0.91 O ATOM 0 H GLY A 33 -9.723 -2.734 -12.076 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.896 -0.709 -13.076 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.575 -0.964 -13.509 1.00 0.80 H new ATOM 499 N THR A 34 -10.144 -0.076 -10.804 1.00 0.80 N ATOM 500 CA THR A 34 -10.588 0.888 -9.794 1.00 0.84 C ATOM 501 C THR A 34 -9.430 1.190 -8.835 1.00 0.83 C ATOM 502 O THR A 34 -9.420 2.209 -8.139 1.00 0.88 O ATOM 503 CB THR A 34 -11.741 0.293 -8.972 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.724 -0.275 -9.844 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.412 1.329 -8.071 1.00 0.96 C ATOM 0 H THR A 34 -10.550 -1.005 -10.694 1.00 0.80 H new ATOM 0 HA THR A 34 -10.917 1.796 -10.298 1.00 0.84 H new ATOM 0 HB THR A 34 -11.309 -0.477 -8.333 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.455 -1.184 -10.092 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.220 0.856 -7.512 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.678 1.735 -7.375 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.817 2.135 -8.683 1.00 0.96 H new ATOM 513 N VAL A 35 -8.465 0.267 -8.832 1.00 0.77 N ATOM 514 CA VAL A 35 -7.278 0.341 -7.963 1.00 0.79 C ATOM 515 C VAL A 35 -6.193 1.244 -8.563 1.00 0.80 C ATOM 516 O VAL A 35 -5.830 2.284 -8.008 1.00 0.86 O ATOM 517 CB VAL A 35 -6.687 -1.086 -7.800 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.389 -1.090 -6.988 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.700 -2.014 -7.151 1.00 0.79 C ATOM 0 H VAL A 35 -8.481 -0.557 -9.433 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.587 0.757 -7.004 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.453 -1.445 -8.802 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -5.016 -2.111 -6.903 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.644 -0.472 -7.490 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.581 -0.690 -5.993 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -7.267 -3.009 -7.046 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.968 -1.629 -6.167 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.593 -2.071 -7.774 1.00 0.79 H new ATOM 529 N MET A 36 -5.706 0.784 -9.709 1.00 0.77 N ATOM 530 CA MET A 36 -4.643 1.426 -10.513 1.00 0.81 C ATOM 531 C MET A 36 -4.808 2.927 -10.705 1.00 0.80 C ATOM 532 O MET A 36 -3.858 3.691 -10.530 1.00 0.87 O ATOM 533 CB MET A 36 -4.654 0.831 -11.922 1.00 0.87 C ATOM 534 CG MET A 36 -6.034 0.486 -12.389 1.00 0.86 C ATOM 535 SD MET A 36 -6.075 -0.131 -14.084 1.00 1.10 S ATOM 536 CE MET A 36 -6.078 1.414 -14.996 1.00 1.82 C ATOM 0 H MET A 36 -6.046 -0.080 -10.131 1.00 0.77 H new ATOM 0 HA MET A 36 -3.723 1.246 -9.957 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.206 1.542 -12.616 1.00 0.87 H new ATOM 0 HB3 MET A 36 -4.034 -0.065 -11.939 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.458 -0.267 -11.724 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.668 1.370 -12.315 1.00 0.86 H new ATOM 0 HE1 MET A 36 -6.730 1.322 -15.865 1.00 1.82 H new ATOM 0 HE2 MET A 36 -6.442 2.215 -14.353 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.065 1.644 -15.325 1.00 1.82 H new ATOM 546 N ARG A 37 -6.031 3.320 -11.072 1.00 0.79 N ATOM 547 CA ARG A 37 -6.352 4.699 -11.414 1.00 0.85 C ATOM 548 C ARG A 37 -5.876 5.733 -10.386 1.00 0.94 C ATOM 549 O ARG A 37 -5.526 6.863 -10.740 1.00 1.01 O ATOM 550 CB ARG A 37 -7.857 4.866 -11.628 1.00 0.96 C ATOM 551 CG ARG A 37 -8.390 4.203 -12.894 1.00 1.49 C ATOM 552 CD ARG A 37 -9.867 4.512 -13.124 1.00 1.68 C ATOM 553 NE ARG A 37 -10.737 3.918 -12.098 1.00 2.53 N ATOM 554 CZ ARG A 37 -12.075 4.020 -12.081 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.727 4.690 -13.030 1.00 2.47 N ATOM 556 NH2 ARG A 37 -12.763 3.447 -11.104 1.00 3.94 N ATOM 0 H ARG A 37 -6.826 2.684 -11.139 1.00 0.79 H new ATOM 0 HA ARG A 37 -5.805 4.896 -12.336 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.382 4.453 -10.767 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.091 5.930 -11.663 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -7.811 4.543 -13.752 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.252 3.124 -12.824 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.011 5.592 -13.135 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -10.163 4.141 -14.105 1.00 1.68 H new ATOM 0 HE ARG A 37 -10.292 3.391 -11.346 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.209 5.137 -13.787 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.744 4.756 -13.000 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -12.275 2.932 -10.371 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -13.780 3.521 -11.085 1.00 3.94 H new ATOM 570 N SER A 38 -5.873 5.318 -9.126 1.00 1.00 N ATOM 571 CA SER A 38 -5.466 6.171 -7.998 1.00 1.16 C ATOM 572 C SER A 38 -3.938 6.342 -7.889 1.00 1.17 C ATOM 573 O SER A 38 -3.462 7.112 -7.045 1.00 1.33 O ATOM 574 CB SER A 38 -6.025 5.592 -6.693 1.00 1.37 C ATOM 575 OG SER A 38 -5.839 6.484 -5.607 1.00 1.82 O ATOM 0 H SER A 38 -6.153 4.377 -8.848 1.00 1.00 H new ATOM 0 HA SER A 38 -5.877 7.164 -8.180 1.00 1.16 H new ATOM 0 HB2 SER A 38 -7.087 5.380 -6.813 1.00 1.37 H new ATOM 0 HB3 SER A 38 -5.534 4.644 -6.475 1.00 1.37 H new ATOM 0 HG SER A 38 -6.694 6.625 -5.149 1.00 1.82 H new ATOM 581 N LEU A 39 -3.179 5.640 -8.741 1.00 1.11 N ATOM 582 CA LEU A 39 -1.725 5.721 -8.723 1.00 1.26 C ATOM 583 C LEU A 39 -1.200 6.718 -9.781 1.00 1.23 C ATOM 584 O LEU A 39 -0.075 7.213 -9.659 1.00 1.39 O ATOM 585 CB LEU A 39 -1.111 4.271 -8.799 1.00 1.42 C ATOM 586 CG LEU A 39 -0.255 3.800 -10.017 1.00 1.43 C ATOM 587 CD1 LEU A 39 -0.986 3.951 -11.341 1.00 1.18 C ATOM 588 CD2 LEU A 39 1.108 4.489 -10.060 1.00 2.07 C ATOM 0 H LEU A 39 -3.555 5.011 -9.450 1.00 1.11 H new ATOM 0 HA LEU A 39 -1.383 6.141 -7.777 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -0.491 4.145 -7.911 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -1.943 3.572 -8.710 1.00 1.42 H new ATOM 0 HG LEU A 39 -0.083 2.734 -9.868 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -0.344 3.609 -12.152 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.898 3.354 -11.323 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -1.241 4.999 -11.498 1.00 1.18 H new ATOM 0 HD21 LEU A 39 1.669 4.131 -10.923 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.968 5.567 -10.139 1.00 2.07 H new ATOM 0 HD23 LEU A 39 1.660 4.261 -9.148 1.00 2.07 H new ATOM 600 N GLY A 40 -2.028 7.022 -10.797 1.00 1.12 N ATOM 601 CA GLY A 40 -1.631 7.974 -11.833 1.00 1.21 C ATOM 602 C GLY A 40 -1.361 7.358 -13.194 1.00 1.24 C ATOM 603 O GLY A 40 -0.502 7.844 -13.936 1.00 1.48 O ATOM 0 H GLY A 40 -2.960 6.626 -10.916 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -2.416 8.723 -11.938 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -0.734 8.497 -11.502 1.00 1.21 H new ATOM 607 N GLN A 41 -2.090 6.297 -13.515 1.00 1.05 N ATOM 608 CA GLN A 41 -1.948 5.611 -14.807 1.00 1.08 C ATOM 609 C GLN A 41 -3.102 5.968 -15.747 1.00 1.03 C ATOM 610 O GLN A 41 -4.076 6.601 -15.329 1.00 1.04 O ATOM 611 CB GLN A 41 -1.892 4.094 -14.605 1.00 1.08 C ATOM 612 CG GLN A 41 -0.525 3.494 -14.890 1.00 1.30 C ATOM 613 CD GLN A 41 -0.477 2.004 -14.617 1.00 2.18 C ATOM 614 OE1 GLN A 41 -0.143 1.573 -13.513 1.00 2.69 O ATOM 615 NE2 GLN A 41 -0.818 1.208 -15.624 1.00 3.01 N ATOM 0 H GLN A 41 -2.791 5.886 -12.899 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.015 5.944 -15.262 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -2.175 3.862 -13.578 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -2.630 3.622 -15.254 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -0.261 3.678 -15.931 1.00 1.30 H new ATOM 0 HG3 GLN A 41 0.224 3.997 -14.278 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -1.088 1.609 -16.522 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -0.810 0.196 -15.499 1.00 3.01 H new ATOM 624 N ASN A 42 -2.983 5.554 -17.024 1.00 1.26 N ATOM 625 CA ASN A 42 -4.017 5.805 -18.037 1.00 1.34 C ATOM 626 C ASN A 42 -5.272 4.953 -17.735 1.00 0.89 C ATOM 627 O ASN A 42 -5.234 3.727 -17.896 1.00 1.50 O ATOM 628 CB ASN A 42 -3.470 5.489 -19.438 1.00 2.22 C ATOM 629 CG ASN A 42 -4.197 6.245 -20.537 1.00 3.03 C ATOM 630 OD1 ASN A 42 -3.801 7.348 -20.914 1.00 3.77 O ATOM 631 ND2 ASN A 42 -5.267 5.653 -21.054 1.00 3.37 N ATOM 0 H ASN A 42 -2.174 5.042 -17.376 1.00 1.26 H new ATOM 0 HA ASN A 42 -4.299 6.857 -18.007 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -2.409 5.736 -19.473 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -3.554 4.418 -19.623 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -5.797 6.113 -21.794 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -5.559 4.738 -20.711 1.00 3.37 H new ATOM 638 N PRO A 43 -6.404 5.579 -17.276 1.00 1.06 N ATOM 639 CA PRO A 43 -7.640 4.839 -16.938 1.00 1.66 C ATOM 640 C PRO A 43 -8.295 4.135 -18.138 1.00 1.29 C ATOM 641 O PRO A 43 -9.161 4.701 -18.818 1.00 1.26 O ATOM 642 CB PRO A 43 -8.576 5.922 -16.367 1.00 2.73 C ATOM 643 CG PRO A 43 -7.703 7.083 -16.046 1.00 2.76 C ATOM 644 CD PRO A 43 -6.575 7.033 -17.032 1.00 1.85 C ATOM 0 HA PRO A 43 -7.424 4.028 -16.243 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -9.343 6.198 -17.091 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -9.092 5.563 -15.477 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -8.253 8.020 -16.129 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -7.331 7.021 -15.023 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.818 7.570 -17.949 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.668 7.483 -16.629 1.00 1.85 H new ATOM 652 N THR A 44 -7.846 2.902 -18.402 1.00 1.26 N ATOM 653 CA THR A 44 -8.398 2.093 -19.478 1.00 1.00 C ATOM 654 C THR A 44 -9.368 1.054 -18.934 1.00 0.85 C ATOM 655 O THR A 44 -9.256 0.623 -17.783 1.00 0.89 O ATOM 656 CB THR A 44 -7.303 1.377 -20.288 1.00 1.17 C ATOM 657 OG1 THR A 44 -6.012 1.586 -19.701 1.00 1.51 O ATOM 658 CG2 THR A 44 -7.289 1.888 -21.700 1.00 1.33 C ATOM 0 H THR A 44 -7.098 2.447 -17.878 1.00 1.26 H new ATOM 0 HA THR A 44 -8.925 2.780 -20.140 1.00 1.00 H new ATOM 0 HB THR A 44 -7.525 0.310 -20.283 1.00 1.17 H new ATOM 0 HG1 THR A 44 -5.322 1.212 -20.287 1.00 1.51 H new ATOM 0 HG21 THR A 44 -6.511 1.375 -22.265 1.00 1.33 H new ATOM 0 HG22 THR A 44 -8.257 1.701 -22.164 1.00 1.33 H new ATOM 0 HG23 THR A 44 -7.089 2.959 -21.697 1.00 1.33 H new ATOM 666 N GLU A 45 -10.317 0.662 -19.784 1.00 0.76 N ATOM 667 CA GLU A 45 -11.342 -0.328 -19.434 1.00 0.72 C ATOM 668 C GLU A 45 -10.800 -1.736 -19.601 1.00 0.71 C ATOM 669 O GLU A 45 -11.240 -2.654 -18.925 1.00 0.70 O ATOM 670 CB GLU A 45 -12.602 -0.142 -20.287 1.00 0.79 C ATOM 671 CG GLU A 45 -13.410 1.099 -19.931 1.00 0.85 C ATOM 672 CD GLU A 45 -14.636 1.267 -20.807 1.00 1.41 C ATOM 673 OE1 GLU A 45 -14.515 1.885 -21.885 1.00 2.03 O ATOM 674 OE2 GLU A 45 -15.718 0.781 -20.414 1.00 1.97 O ATOM 0 H GLU A 45 -10.399 1.020 -20.735 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.612 -0.176 -18.389 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -12.314 -0.087 -21.337 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -13.237 -1.021 -20.176 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.719 1.040 -18.887 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -12.776 1.981 -20.026 1.00 0.85 H new ATOM 681 N ALA A 46 -9.897 -1.900 -20.567 1.00 0.75 N ATOM 682 CA ALA A 46 -9.247 -3.169 -20.815 1.00 0.78 C ATOM 683 C ALA A 46 -7.988 -3.317 -19.973 1.00 0.76 C ATOM 684 O ALA A 46 -7.494 -4.425 -19.816 1.00 0.77 O ATOM 685 CB ALA A 46 -8.947 -3.341 -22.296 1.00 0.90 C ATOM 0 H ALA A 46 -9.601 -1.152 -21.195 1.00 0.75 H new ATOM 0 HA ALA A 46 -9.932 -3.963 -20.518 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -8.459 -4.302 -22.459 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -9.878 -3.306 -22.862 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -8.289 -2.538 -22.630 1.00 0.90 H new ATOM 691 N GLU A 47 -7.471 -2.190 -19.435 1.00 0.77 N ATOM 692 CA GLU A 47 -6.259 -2.213 -18.573 1.00 0.81 C ATOM 693 C GLU A 47 -6.395 -3.204 -17.421 1.00 0.68 C ATOM 694 O GLU A 47 -5.422 -3.843 -17.037 1.00 0.62 O ATOM 695 CB GLU A 47 -5.978 -0.814 -18.007 1.00 0.95 C ATOM 696 CG GLU A 47 -4.504 -0.481 -17.782 1.00 1.30 C ATOM 697 CD GLU A 47 -3.713 -0.332 -19.073 1.00 1.55 C ATOM 698 OE1 GLU A 47 -3.361 -1.367 -19.677 1.00 2.16 O ATOM 699 OE2 GLU A 47 -3.446 0.820 -19.475 1.00 2.13 O ATOM 0 H GLU A 47 -7.866 -1.260 -19.578 1.00 0.77 H new ATOM 0 HA GLU A 47 -5.427 -2.533 -19.201 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.400 -0.074 -18.687 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -6.505 -0.712 -17.058 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -4.432 0.445 -17.212 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -4.051 -1.265 -17.176 1.00 1.30 H new ATOM 706 N LEU A 48 -7.606 -3.317 -16.887 1.00 0.66 N ATOM 707 CA LEU A 48 -7.901 -4.238 -15.801 1.00 0.59 C ATOM 708 C LEU A 48 -8.057 -5.670 -16.331 1.00 0.55 C ATOM 709 O LEU A 48 -7.575 -6.610 -15.702 1.00 0.56 O ATOM 710 CB LEU A 48 -9.126 -3.749 -15.010 1.00 0.61 C ATOM 711 CG LEU A 48 -10.205 -2.982 -15.789 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.963 -3.907 -16.701 1.00 0.87 C ATOM 713 CD2 LEU A 48 -11.176 -2.277 -14.856 1.00 1.24 C ATOM 0 H LEU A 48 -8.410 -2.771 -17.197 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.063 -4.260 -15.104 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -9.596 -4.616 -14.546 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.773 -3.108 -14.202 1.00 0.61 H new ATOM 0 HG LEU A 48 -9.694 -2.227 -16.386 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.722 -3.343 -17.243 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -10.274 -4.363 -17.412 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.444 -4.687 -16.110 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -11.924 -1.745 -15.444 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -11.669 -3.013 -14.221 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -10.632 -1.567 -14.234 1.00 1.24 H new ATOM 725 N GLN A 49 -8.723 -5.832 -17.492 1.00 0.57 N ATOM 726 CA GLN A 49 -8.873 -7.147 -18.136 1.00 0.60 C ATOM 727 C GLN A 49 -7.539 -7.593 -18.757 1.00 0.59 C ATOM 728 O GLN A 49 -7.314 -8.787 -18.976 1.00 0.61 O ATOM 729 CB GLN A 49 -9.959 -7.109 -19.219 1.00 0.67 C ATOM 730 CG GLN A 49 -11.378 -6.983 -18.682 1.00 0.80 C ATOM 731 CD GLN A 49 -12.389 -6.694 -19.775 1.00 1.03 C ATOM 732 OE1 GLN A 49 -12.666 -5.537 -20.091 1.00 1.67 O ATOM 733 NE2 GLN A 49 -12.947 -7.749 -20.358 1.00 1.52 N ATOM 0 H GLN A 49 -9.165 -5.066 -18.001 1.00 0.57 H new ATOM 0 HA GLN A 49 -9.171 -7.863 -17.370 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -9.760 -6.271 -19.886 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -9.889 -8.017 -19.818 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -11.653 -7.906 -18.172 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -11.413 -6.186 -17.939 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -12.687 -8.691 -20.064 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -13.635 -7.617 -21.099 1.00 1.52 H new ATOM 742 N ASP A 50 -6.667 -6.606 -19.034 1.00 0.58 N ATOM 743 CA ASP A 50 -5.339 -6.849 -19.600 1.00 0.57 C ATOM 744 C ASP A 50 -4.331 -7.113 -18.486 1.00 0.49 C ATOM 745 O ASP A 50 -3.506 -8.024 -18.598 1.00 0.48 O ATOM 746 CB ASP A 50 -4.870 -5.667 -20.456 1.00 0.63 C ATOM 747 CG ASP A 50 -5.511 -5.653 -21.830 1.00 1.03 C ATOM 748 OD1 ASP A 50 -6.237 -4.685 -22.135 1.00 1.83 O ATOM 749 OD2 ASP A 50 -5.285 -6.609 -22.602 1.00 1.48 O ATOM 0 H ASP A 50 -6.869 -5.620 -18.870 1.00 0.58 H new ATOM 0 HA ASP A 50 -5.408 -7.727 -20.242 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -5.103 -4.735 -19.941 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -3.786 -5.709 -20.565 1.00 0.63 H new ATOM 754 N MET A 51 -4.394 -6.300 -17.407 1.00 0.45 N ATOM 755 CA MET A 51 -3.493 -6.480 -16.250 1.00 0.41 C ATOM 756 C MET A 51 -3.635 -7.875 -15.616 1.00 0.39 C ATOM 757 O MET A 51 -2.653 -8.414 -15.098 1.00 0.38 O ATOM 758 CB MET A 51 -3.695 -5.395 -15.178 1.00 0.41 C ATOM 759 CG MET A 51 -2.918 -4.118 -15.453 1.00 0.48 C ATOM 760 SD MET A 51 -3.121 -2.890 -14.149 1.00 1.31 S ATOM 761 CE MET A 51 -1.979 -1.624 -14.696 1.00 1.31 C ATOM 0 H MET A 51 -5.050 -5.524 -17.315 1.00 0.45 H new ATOM 0 HA MET A 51 -2.482 -6.384 -16.645 1.00 0.41 H new ATOM 0 HB2 MET A 51 -4.756 -5.157 -15.109 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.394 -5.793 -14.209 1.00 0.41 H new ATOM 0 HG2 MET A 51 -1.860 -4.357 -15.561 1.00 0.48 H new ATOM 0 HG3 MET A 51 -3.247 -3.694 -16.401 1.00 0.48 H new ATOM 0 HE1 MET A 51 -2.068 -0.750 -14.051 1.00 1.31 H new ATOM 0 HE2 MET A 51 -0.960 -2.008 -14.648 1.00 1.31 H new ATOM 0 HE3 MET A 51 -2.213 -1.342 -15.723 1.00 1.31 H new ATOM 771 N ILE A 52 -4.853 -8.457 -15.657 1.00 0.41 N ATOM 772 CA ILE A 52 -5.076 -9.804 -15.099 1.00 0.42 C ATOM 773 C ILE A 52 -4.758 -10.905 -16.127 1.00 0.46 C ATOM 774 O ILE A 52 -4.638 -12.074 -15.768 1.00 0.49 O ATOM 775 CB ILE A 52 -6.495 -10.051 -14.526 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.023 -8.801 -13.817 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.468 -11.237 -13.580 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.654 -8.982 -12.429 1.00 0.48 C ATOM 0 H ILE A 52 -5.682 -8.023 -16.063 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.383 -9.852 -14.259 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.172 -10.274 -15.351 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.197 -8.096 -13.721 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -7.766 -8.336 -14.465 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.468 -11.406 -13.180 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.138 -12.125 -14.119 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -5.779 -11.033 -12.760 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.982 -8.014 -12.050 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.510 -9.652 -12.503 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.918 -9.408 -11.747 1.00 0.48 H new ATOM 790 N ASN A 53 -4.624 -10.519 -17.401 1.00 0.49 N ATOM 791 CA ASN A 53 -4.357 -11.442 -18.493 1.00 0.56 C ATOM 792 C ASN A 53 -2.958 -12.040 -18.408 1.00 0.58 C ATOM 793 O ASN A 53 -2.784 -13.260 -18.466 1.00 0.65 O ATOM 794 CB ASN A 53 -4.478 -10.651 -19.776 1.00 0.58 C ATOM 795 CG ASN A 53 -5.399 -11.282 -20.808 1.00 0.65 C ATOM 796 OD1 ASN A 53 -5.476 -12.507 -20.934 1.00 1.27 O ATOM 797 ND2 ASN A 53 -6.108 -10.444 -21.555 1.00 1.35 N ATOM 0 H ASN A 53 -4.700 -9.546 -17.698 1.00 0.49 H new ATOM 0 HA ASN A 53 -5.065 -12.270 -18.448 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -4.843 -9.651 -19.541 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -3.486 -10.533 -20.213 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -6.745 -10.807 -22.264 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -6.016 -9.437 -21.420 1.00 1.35 H new ATOM 804 N GLU A 54 -1.971 -11.151 -18.277 1.00 0.55 N ATOM 805 CA GLU A 54 -0.557 -11.554 -18.185 1.00 0.59 C ATOM 806 C GLU A 54 -0.177 -12.065 -16.804 1.00 0.57 C ATOM 807 O GLU A 54 0.746 -12.874 -16.672 1.00 0.62 O ATOM 808 CB GLU A 54 0.372 -10.410 -18.604 1.00 0.61 C ATOM 809 CG GLU A 54 0.369 -10.129 -20.099 1.00 0.79 C ATOM 810 CD GLU A 54 1.314 -9.007 -20.483 1.00 1.15 C ATOM 811 OE1 GLU A 54 2.493 -9.297 -20.773 1.00 1.78 O ATOM 812 OE2 GLU A 54 0.873 -7.838 -20.494 1.00 1.82 O ATOM 0 H GLU A 54 -2.121 -10.143 -18.232 1.00 0.55 H new ATOM 0 HA GLU A 54 -0.431 -12.385 -18.880 1.00 0.59 H new ATOM 0 HB2 GLU A 54 0.079 -9.504 -18.073 1.00 0.61 H new ATOM 0 HB3 GLU A 54 1.389 -10.648 -18.291 1.00 0.61 H new ATOM 0 HG2 GLU A 54 0.650 -11.035 -20.636 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -0.642 -9.872 -20.415 1.00 0.79 H new ATOM 819 N VAL A 55 -0.883 -11.594 -15.791 1.00 0.50 N ATOM 820 CA VAL A 55 -0.648 -12.042 -14.424 1.00 0.48 C ATOM 821 C VAL A 55 -1.847 -12.912 -14.025 1.00 0.48 C ATOM 822 O VAL A 55 -2.280 -12.942 -12.869 1.00 0.45 O ATOM 823 CB VAL A 55 -0.439 -10.853 -13.431 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.301 -11.318 -12.180 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.327 -9.703 -14.083 1.00 0.48 C ATOM 0 H VAL A 55 -1.625 -10.901 -15.886 1.00 0.50 H new ATOM 0 HA VAL A 55 0.278 -12.615 -14.375 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.428 -10.490 -13.150 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.436 -10.475 -11.503 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.279 -12.095 -11.682 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.276 -11.717 -12.461 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.453 -8.895 -13.362 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.306 -10.056 -14.408 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.231 -9.337 -14.945 1.00 0.48 H new ATOM 835 N ASP A 56 -2.345 -13.654 -15.033 1.00 0.55 N ATOM 836 CA ASP A 56 -3.527 -14.528 -14.905 1.00 0.60 C ATOM 837 C ASP A 56 -3.389 -15.659 -13.872 1.00 0.61 C ATOM 838 O ASP A 56 -2.573 -16.573 -14.030 1.00 0.65 O ATOM 839 CB ASP A 56 -3.901 -15.113 -16.284 1.00 0.75 C ATOM 840 CG ASP A 56 -2.771 -15.892 -16.950 1.00 0.98 C ATOM 841 OD1 ASP A 56 -1.706 -15.292 -17.207 1.00 1.58 O ATOM 842 OD2 ASP A 56 -2.956 -17.099 -17.212 1.00 1.87 O ATOM 0 H ASP A 56 -1.935 -13.664 -15.967 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.323 -13.887 -14.527 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -4.763 -15.770 -16.168 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -4.206 -14.300 -16.942 1.00 0.75 H new ATOM 847 N ALA A 57 -4.200 -15.559 -12.805 1.00 0.59 N ATOM 848 CA ALA A 57 -4.254 -16.580 -11.753 1.00 0.62 C ATOM 849 C ALA A 57 -5.268 -17.647 -12.136 1.00 0.68 C ATOM 850 O ALA A 57 -4.996 -18.850 -12.089 1.00 0.74 O ATOM 851 CB ALA A 57 -4.647 -15.955 -10.422 1.00 0.60 C ATOM 0 H ALA A 57 -4.831 -14.773 -12.651 1.00 0.59 H new ATOM 0 HA ALA A 57 -3.267 -17.030 -11.648 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.682 -16.727 -9.654 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.912 -15.199 -10.144 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.629 -15.490 -10.514 1.00 0.60 H new ATOM 857 N ASP A 58 -6.438 -17.152 -12.513 1.00 0.68 N ATOM 858 CA ASP A 58 -7.556 -17.967 -12.956 1.00 0.75 C ATOM 859 C ASP A 58 -7.849 -17.659 -14.433 1.00 0.75 C ATOM 860 O ASP A 58 -8.447 -18.467 -15.148 1.00 0.83 O ATOM 861 CB ASP A 58 -8.754 -17.687 -12.031 1.00 0.77 C ATOM 862 CG ASP A 58 -10.078 -18.257 -12.525 1.00 0.90 C ATOM 863 OD1 ASP A 58 -10.984 -17.460 -12.845 1.00 1.36 O ATOM 864 OD2 ASP A 58 -10.203 -19.498 -12.588 1.00 1.62 O ATOM 0 H ASP A 58 -6.639 -16.152 -12.519 1.00 0.68 H new ATOM 0 HA ASP A 58 -7.331 -19.032 -12.894 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -8.540 -18.100 -11.045 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -8.859 -16.609 -11.909 1.00 0.77 H new ATOM 869 N GLY A 59 -7.408 -16.466 -14.855 1.00 0.68 N ATOM 870 CA GLY A 59 -7.525 -16.005 -16.230 1.00 0.68 C ATOM 871 C GLY A 59 -8.919 -15.669 -16.682 1.00 0.72 C ATOM 872 O GLY A 59 -9.154 -15.477 -17.879 1.00 0.75 O ATOM 0 H GLY A 59 -6.956 -15.792 -14.237 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -6.899 -15.122 -16.353 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.124 -16.775 -16.889 1.00 0.68 H new ATOM 876 N ASN A 60 -9.842 -15.601 -15.733 1.00 0.73 N ATOM 877 CA ASN A 60 -11.191 -15.195 -16.025 1.00 0.78 C ATOM 878 C ASN A 60 -11.282 -13.720 -15.680 1.00 0.72 C ATOM 879 O ASN A 60 -12.363 -13.138 -15.530 1.00 0.77 O ATOM 880 CB ASN A 60 -12.217 -16.032 -15.249 1.00 0.86 C ATOM 881 CG ASN A 60 -12.300 -17.462 -15.749 1.00 1.28 C ATOM 882 OD1 ASN A 60 -11.582 -18.342 -15.274 1.00 1.86 O ATOM 883 ND2 ASN A 60 -13.180 -17.701 -16.714 1.00 2.03 N ATOM 0 H ASN A 60 -9.671 -15.825 -14.753 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.426 -15.357 -17.077 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -11.953 -16.035 -14.192 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.198 -15.565 -15.331 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -13.281 -18.644 -17.090 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -13.755 -16.942 -17.079 1.00 2.03 H new ATOM 890 N GLY A 61 -10.078 -13.136 -15.588 1.00 0.64 N ATOM 891 CA GLY A 61 -9.923 -11.749 -15.236 1.00 0.59 C ATOM 892 C GLY A 61 -9.830 -11.584 -13.738 1.00 0.56 C ATOM 893 O GLY A 61 -10.183 -10.546 -13.174 1.00 0.56 O ATOM 0 H GLY A 61 -9.199 -13.624 -15.758 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.026 -11.348 -15.707 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -10.768 -11.175 -15.618 1.00 0.59 H new ATOM 897 N THR A 62 -9.356 -12.647 -13.114 1.00 0.56 N ATOM 898 CA THR A 62 -9.224 -12.720 -11.672 1.00 0.54 C ATOM 899 C THR A 62 -7.828 -13.092 -11.228 1.00 0.50 C ATOM 900 O THR A 62 -7.216 -14.021 -11.764 1.00 0.51 O ATOM 901 CB THR A 62 -10.176 -13.742 -11.046 1.00 0.59 C ATOM 902 OG1 THR A 62 -10.655 -14.671 -12.030 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.344 -13.051 -10.366 1.00 0.62 C ATOM 0 H THR A 62 -9.050 -13.491 -13.599 1.00 0.56 H new ATOM 0 HA THR A 62 -9.469 -11.714 -11.332 1.00 0.54 H new ATOM 0 HB THR A 62 -9.616 -14.296 -10.293 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.260 -15.315 -11.605 1.00 0.65 H new ATOM 0 HG21 THR A 62 -12.005 -13.799 -9.929 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.971 -12.394 -9.580 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.896 -12.463 -11.099 1.00 0.62 H new ATOM 911 N ILE A 63 -7.341 -12.349 -10.242 1.00 0.47 N ATOM 912 CA ILE A 63 -6.047 -12.579 -9.668 1.00 0.45 C ATOM 913 C ILE A 63 -6.195 -12.885 -8.176 1.00 0.46 C ATOM 914 O ILE A 63 -7.019 -12.296 -7.476 1.00 0.48 O ATOM 915 CB ILE A 63 -5.115 -11.374 -9.922 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.749 -11.818 -10.435 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.962 -10.531 -8.682 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.927 -10.667 -10.974 1.00 0.42 C ATOM 0 H ILE A 63 -7.846 -11.568 -9.824 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.586 -13.443 -10.147 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.583 -10.765 -10.696 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.202 -12.303 -9.627 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.884 -12.562 -11.220 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.300 -9.691 -8.893 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.938 -10.156 -8.374 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.537 -11.136 -7.881 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.965 -11.040 -11.325 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.458 -10.197 -11.802 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.765 -9.934 -10.184 1.00 0.42 H new ATOM 930 N ASP A 64 -5.409 -13.835 -7.734 1.00 0.48 N ATOM 931 CA ASP A 64 -5.388 -14.292 -6.345 1.00 0.51 C ATOM 932 C ASP A 64 -4.480 -13.400 -5.480 1.00 0.54 C ATOM 933 O ASP A 64 -3.934 -12.406 -5.971 1.00 0.54 O ATOM 934 CB ASP A 64 -4.918 -15.747 -6.312 1.00 0.57 C ATOM 935 CG ASP A 64 -6.005 -16.720 -6.726 1.00 0.65 C ATOM 936 OD1 ASP A 64 -6.076 -17.054 -7.928 1.00 1.25 O ATOM 937 OD2 ASP A 64 -6.784 -17.148 -5.849 1.00 1.33 O ATOM 0 H ASP A 64 -4.748 -14.330 -8.333 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.393 -14.225 -5.928 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.060 -15.863 -6.974 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.579 -15.993 -5.306 1.00 0.57 H new ATOM 942 N PHE A 65 -4.321 -13.763 -4.196 1.00 0.62 N ATOM 943 CA PHE A 65 -3.495 -12.994 -3.252 1.00 0.73 C ATOM 944 C PHE A 65 -1.966 -13.134 -3.485 1.00 0.78 C ATOM 945 O PHE A 65 -1.247 -12.152 -3.278 1.00 0.86 O ATOM 946 CB PHE A 65 -3.854 -13.336 -1.789 1.00 0.82 C ATOM 947 CG PHE A 65 -3.872 -14.808 -1.451 1.00 0.82 C ATOM 948 CD1 PHE A 65 -2.776 -15.407 -0.852 1.00 1.39 C ATOM 949 CD2 PHE A 65 -4.986 -15.586 -1.730 1.00 1.51 C ATOM 950 CE1 PHE A 65 -2.789 -16.753 -0.538 1.00 1.43 C ATOM 951 CE2 PHE A 65 -5.005 -16.932 -1.419 1.00 1.52 C ATOM 952 CZ PHE A 65 -3.905 -17.516 -0.822 1.00 0.90 C ATOM 0 H PHE A 65 -4.757 -14.589 -3.787 1.00 0.62 H new ATOM 0 HA PHE A 65 -3.734 -11.949 -3.447 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -3.140 -12.839 -1.132 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -4.836 -12.918 -1.567 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -1.901 -14.815 -0.628 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -5.849 -15.134 -2.196 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -1.928 -17.208 -0.071 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -5.879 -17.526 -1.642 1.00 1.52 H new ATOM 0 HZ PHE A 65 -3.917 -18.568 -0.577 1.00 0.90 H new ATOM 962 N PRO A 66 -1.424 -14.322 -3.912 1.00 0.79 N ATOM 963 CA PRO A 66 0.026 -14.493 -4.133 1.00 0.89 C ATOM 964 C PRO A 66 0.531 -13.936 -5.474 1.00 0.79 C ATOM 965 O PRO A 66 1.737 -13.747 -5.644 1.00 0.82 O ATOM 966 CB PRO A 66 0.225 -16.021 -4.094 1.00 0.98 C ATOM 967 CG PRO A 66 -1.113 -16.612 -3.779 1.00 0.91 C ATOM 968 CD PRO A 66 -2.124 -15.590 -4.199 1.00 0.75 C ATOM 0 HA PRO A 66 0.591 -13.940 -3.382 1.00 0.89 H new ATOM 0 HB2 PRO A 66 0.597 -16.389 -5.050 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.960 -16.298 -3.338 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.261 -17.550 -4.314 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -1.201 -16.834 -2.715 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.382 -15.683 -5.254 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -3.052 -15.679 -3.634 1.00 0.75 H new ATOM 976 N GLU A 67 -0.386 -13.702 -6.426 1.00 0.69 N ATOM 977 CA GLU A 67 -0.019 -13.211 -7.750 1.00 0.63 C ATOM 978 C GLU A 67 0.028 -11.685 -7.892 1.00 0.62 C ATOM 979 O GLU A 67 1.000 -11.175 -8.457 1.00 0.66 O ATOM 980 CB GLU A 67 -0.919 -13.819 -8.810 1.00 0.61 C ATOM 981 CG GLU A 67 -0.304 -15.034 -9.486 1.00 0.70 C ATOM 982 CD GLU A 67 -1.245 -15.705 -10.465 1.00 1.12 C ATOM 983 OE1 GLU A 67 -1.710 -16.824 -10.166 1.00 1.71 O ATOM 984 OE2 GLU A 67 -1.516 -15.112 -11.531 1.00 1.94 O ATOM 0 H GLU A 67 -1.387 -13.847 -6.296 1.00 0.69 H new ATOM 0 HA GLU A 67 1.010 -13.537 -7.897 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.867 -14.105 -8.354 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.143 -13.065 -9.564 1.00 0.61 H new ATOM 0 HG2 GLU A 67 0.602 -14.731 -10.011 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -0.006 -15.755 -8.725 1.00 0.70 H new ATOM 991 N PHE A 68 -1.004 -10.943 -7.406 1.00 0.63 N ATOM 992 CA PHE A 68 -1.019 -9.466 -7.550 1.00 0.72 C ATOM 993 C PHE A 68 0.275 -8.780 -7.087 1.00 0.79 C ATOM 994 O PHE A 68 0.703 -7.787 -7.684 1.00 0.87 O ATOM 995 CB PHE A 68 -2.236 -8.782 -6.878 1.00 0.88 C ATOM 996 CG PHE A 68 -2.551 -9.125 -5.434 1.00 0.91 C ATOM 997 CD1 PHE A 68 -1.614 -8.977 -4.418 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.825 -9.545 -5.097 1.00 1.84 C ATOM 999 CE1 PHE A 68 -1.945 -9.248 -3.105 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -4.159 -9.823 -3.788 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.219 -9.674 -2.790 1.00 2.37 C ATOM 0 H PHE A 68 -1.814 -11.332 -6.924 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.106 -9.327 -8.628 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.086 -7.704 -6.938 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -3.118 -9.014 -7.474 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -0.615 -8.646 -4.658 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -4.570 -9.657 -5.871 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.207 -9.127 -2.325 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -5.157 -10.157 -3.545 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.479 -9.890 -1.764 1.00 2.37 H new ATOM 1011 N LEU A 69 0.880 -9.318 -6.032 1.00 0.81 N ATOM 1012 CA LEU A 69 2.114 -8.764 -5.465 1.00 0.89 C ATOM 1013 C LEU A 69 3.385 -9.299 -6.102 1.00 0.84 C ATOM 1014 O LEU A 69 4.456 -8.748 -5.867 1.00 0.89 O ATOM 1015 CB LEU A 69 2.211 -8.983 -3.964 1.00 0.99 C ATOM 1016 CG LEU A 69 1.690 -10.329 -3.477 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.590 -11.464 -3.940 1.00 0.92 C ATOM 1018 CD2 LEU A 69 1.585 -10.343 -1.973 1.00 1.14 C ATOM 0 H LEU A 69 0.534 -10.145 -5.546 1.00 0.81 H new ATOM 0 HA LEU A 69 2.042 -7.699 -5.686 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.254 -8.883 -3.664 1.00 0.99 H new ATOM 0 HB3 LEU A 69 1.657 -8.191 -3.459 1.00 0.99 H new ATOM 0 HG LEU A 69 0.699 -10.476 -3.905 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.194 -12.413 -3.578 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.627 -11.478 -5.029 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.595 -11.316 -3.545 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.211 -11.312 -1.643 1.00 1.14 H new ATOM 0 HD22 LEU A 69 2.569 -10.166 -1.538 1.00 1.14 H new ATOM 0 HD23 LEU A 69 0.899 -9.560 -1.649 1.00 1.14 H new ATOM 1030 N THR A 70 3.275 -10.402 -6.853 1.00 0.78 N ATOM 1031 CA THR A 70 4.434 -11.051 -7.503 1.00 0.78 C ATOM 1032 C THR A 70 5.364 -10.039 -8.190 1.00 0.80 C ATOM 1033 O THR A 70 6.521 -10.353 -8.475 1.00 0.79 O ATOM 1034 CB THR A 70 3.958 -12.152 -8.495 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.079 -13.056 -7.819 1.00 0.79 O ATOM 1036 CG2 THR A 70 5.120 -12.948 -9.089 1.00 0.88 C ATOM 0 H THR A 70 2.387 -10.872 -7.030 1.00 0.78 H new ATOM 0 HA THR A 70 5.023 -11.526 -6.718 1.00 0.78 H new ATOM 0 HB THR A 70 3.445 -11.647 -9.314 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.049 -12.832 -6.865 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.732 -13.702 -9.774 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.784 -12.274 -9.630 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.674 -13.436 -8.287 1.00 0.88 H new ATOM 1044 N MET A 71 4.844 -8.838 -8.442 1.00 0.87 N ATOM 1045 CA MET A 71 5.626 -7.769 -9.027 1.00 0.96 C ATOM 1046 C MET A 71 6.370 -6.971 -7.957 1.00 0.97 C ATOM 1047 O MET A 71 7.473 -6.493 -8.224 1.00 1.00 O ATOM 1048 CB MET A 71 4.764 -6.855 -9.898 1.00 1.10 C ATOM 1049 CG MET A 71 4.335 -7.487 -11.214 1.00 1.15 C ATOM 1050 SD MET A 71 3.340 -6.377 -12.227 1.00 1.66 S ATOM 1051 CE MET A 71 3.117 -7.371 -13.700 1.00 1.68 C ATOM 0 H MET A 71 3.875 -8.588 -8.245 1.00 0.87 H new ATOM 0 HA MET A 71 6.372 -8.231 -9.673 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.875 -6.567 -9.337 1.00 1.10 H new ATOM 0 HB3 MET A 71 5.318 -5.940 -10.109 1.00 1.10 H new ATOM 0 HG2 MET A 71 5.221 -7.787 -11.774 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.765 -8.393 -11.008 1.00 1.15 H new ATOM 0 HE1 MET A 71 2.365 -6.909 -14.340 1.00 1.68 H new ATOM 0 HE2 MET A 71 4.062 -7.439 -14.240 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.788 -8.371 -13.418 1.00 1.68 H new ATOM 1061 N MET A 72 5.783 -6.821 -6.747 1.00 0.99 N ATOM 1062 CA MET A 72 6.481 -6.132 -5.652 1.00 1.06 C ATOM 1063 C MET A 72 7.342 -7.162 -4.945 1.00 0.94 C ATOM 1064 O MET A 72 8.361 -6.839 -4.328 1.00 0.95 O ATOM 1065 CB MET A 72 5.518 -5.414 -4.678 1.00 1.23 C ATOM 1066 CG MET A 72 4.406 -6.283 -4.084 1.00 1.37 C ATOM 1067 SD MET A 72 4.993 -7.468 -2.852 1.00 2.19 S ATOM 1068 CE MET A 72 5.168 -6.420 -1.408 1.00 3.08 C ATOM 0 H MET A 72 4.850 -7.161 -6.513 1.00 0.99 H new ATOM 0 HA MET A 72 7.100 -5.334 -6.062 1.00 1.06 H new ATOM 0 HB2 MET A 72 6.104 -4.996 -3.859 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.058 -4.576 -5.202 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.657 -5.637 -3.626 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.910 -6.825 -4.890 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.154 -7.035 -0.508 1.00 3.08 H new ATOM 0 HE2 MET A 72 6.113 -5.879 -1.463 1.00 3.08 H new ATOM 0 HE3 MET A 72 4.343 -5.708 -1.373 1.00 3.08 H new ATOM 1078 N ALA A 73 6.887 -8.419 -5.056 1.00 0.86 N ATOM 1079 CA ALA A 73 7.611 -9.562 -4.550 1.00 0.79 C ATOM 1080 C ALA A 73 8.785 -9.808 -5.486 1.00 0.71 C ATOM 1081 O ALA A 73 9.783 -10.403 -5.090 1.00 0.68 O ATOM 1082 CB ALA A 73 6.715 -10.789 -4.462 1.00 0.80 C ATOM 0 H ALA A 73 6.002 -8.657 -5.503 1.00 0.86 H new ATOM 0 HA ALA A 73 7.966 -9.365 -3.538 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.289 -11.632 -4.078 1.00 0.80 H new ATOM 0 HB2 ALA A 73 5.881 -10.583 -3.792 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.333 -11.032 -5.453 1.00 0.80 H new ATOM 1088 N ARG A 74 8.652 -9.319 -6.753 1.00 0.72 N ATOM 1089 CA ARG A 74 9.687 -9.400 -7.731 1.00 0.71 C ATOM 1090 C ARG A 74 10.804 -8.448 -7.335 1.00 0.73 C ATOM 1091 O ARG A 74 11.982 -8.779 -7.447 1.00 0.68 O ATOM 1092 CB ARG A 74 9.073 -8.993 -9.072 1.00 0.83 C ATOM 1093 CG ARG A 74 10.067 -8.675 -10.161 1.00 0.91 C ATOM 1094 CD ARG A 74 10.572 -9.918 -10.890 1.00 1.12 C ATOM 1095 NE ARG A 74 9.550 -10.506 -11.767 1.00 1.47 N ATOM 1096 CZ ARG A 74 9.692 -11.658 -12.440 1.00 1.90 C ATOM 1097 NH1 ARG A 74 10.812 -12.373 -12.353 1.00 2.18 N ATOM 1098 NH2 ARG A 74 8.701 -12.095 -13.205 1.00 2.55 N ATOM 0 H ARG A 74 7.804 -8.862 -7.089 1.00 0.72 H new ATOM 0 HA ARG A 74 10.102 -10.405 -7.805 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.425 -9.799 -9.417 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.439 -8.120 -8.914 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.604 -8.001 -10.882 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.915 -8.145 -9.728 1.00 0.91 H new ATOM 0 HD2 ARG A 74 11.449 -9.657 -11.482 1.00 1.12 H new ATOM 0 HD3 ARG A 74 10.890 -10.661 -10.159 1.00 1.12 H new ATOM 0 HE ARG A 74 8.669 -10.002 -11.872 1.00 1.47 H new ATOM 0 HH11 ARG A 74 11.581 -12.047 -11.767 1.00 2.18 H new ATOM 0 HH12 ARG A 74 10.901 -13.246 -12.872 1.00 2.18 H new ATOM 0 HH21 ARG A 74 7.838 -11.556 -13.279 1.00 2.55 H new ATOM 0 HH22 ARG A 74 8.802 -12.970 -13.720 1.00 2.55 H new ATOM 1112 N LYS A 75 10.401 -7.245 -6.893 1.00 0.86 N ATOM 1113 CA LYS A 75 11.329 -6.235 -6.423 1.00 0.95 C ATOM 1114 C LYS A 75 12.124 -6.746 -5.214 1.00 0.90 C ATOM 1115 O LYS A 75 13.130 -6.155 -4.817 1.00 0.96 O ATOM 1116 CB LYS A 75 10.564 -4.952 -6.125 1.00 1.19 C ATOM 1117 CG LYS A 75 9.533 -4.653 -7.207 1.00 1.28 C ATOM 1118 CD LYS A 75 10.171 -4.263 -8.531 1.00 1.40 C ATOM 1119 CE LYS A 75 9.892 -2.818 -8.903 1.00 2.25 C ATOM 1120 NZ LYS A 75 10.638 -2.409 -10.124 1.00 2.99 N ATOM 0 H LYS A 75 9.423 -6.958 -6.856 1.00 0.86 H new ATOM 0 HA LYS A 75 12.063 -6.015 -7.198 1.00 0.95 H new ATOM 0 HB2 LYS A 75 10.065 -5.040 -5.160 1.00 1.19 H new ATOM 0 HB3 LYS A 75 11.263 -4.120 -6.047 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.903 -5.530 -7.356 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.882 -3.846 -6.870 1.00 1.28 H new ATOM 0 HD2 LYS A 75 11.248 -4.419 -8.472 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.797 -4.917 -9.318 1.00 1.40 H new ATOM 0 HE2 LYS A 75 8.823 -2.685 -9.068 1.00 2.25 H new ATOM 0 HE3 LYS A 75 10.169 -2.169 -8.073 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 10.659 -1.371 -10.186 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 11.611 -2.773 -10.075 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 10.166 -2.797 -10.966 1.00 2.99 H new ATOM 1134 N MET A 76 11.618 -7.849 -4.627 1.00 0.85 N ATOM 1135 CA MET A 76 12.268 -8.541 -3.526 1.00 0.93 C ATOM 1136 C MET A 76 13.346 -9.468 -4.097 1.00 0.83 C ATOM 1137 O MET A 76 14.384 -9.688 -3.467 1.00 0.93 O ATOM 1138 CB MET A 76 11.264 -9.356 -2.702 1.00 1.07 C ATOM 1139 CG MET A 76 10.256 -8.511 -1.942 1.00 0.96 C ATOM 1140 SD MET A 76 9.159 -9.500 -0.907 1.00 1.64 S ATOM 1141 CE MET A 76 8.147 -8.219 -0.170 1.00 2.37 C ATOM 0 H MET A 76 10.739 -8.278 -4.915 1.00 0.85 H new ATOM 0 HA MET A 76 12.714 -7.801 -2.862 1.00 0.93 H new ATOM 0 HB2 MET A 76 10.727 -10.032 -3.368 1.00 1.07 H new ATOM 0 HB3 MET A 76 11.811 -9.976 -1.992 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.787 -7.792 -1.318 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.660 -7.938 -2.652 1.00 0.96 H new ATOM 0 HE1 MET A 76 7.191 -8.643 0.137 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.658 -7.807 0.700 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.975 -7.427 -0.899 1.00 2.37 H new ATOM 1151 N LYS A 77 13.074 -10.010 -5.311 1.00 0.72 N ATOM 1152 CA LYS A 77 14.029 -10.886 -6.018 1.00 0.79 C ATOM 1153 C LYS A 77 15.092 -10.027 -6.697 1.00 0.78 C ATOM 1154 O LYS A 77 16.294 -10.280 -6.576 1.00 0.91 O ATOM 1155 CB LYS A 77 13.337 -11.770 -7.084 1.00 0.86 C ATOM 1156 CG LYS A 77 11.833 -11.887 -6.939 1.00 0.76 C ATOM 1157 CD LYS A 77 11.392 -12.696 -5.709 1.00 0.89 C ATOM 1158 CE LYS A 77 11.514 -14.205 -5.918 1.00 0.96 C ATOM 1159 NZ LYS A 77 10.996 -14.969 -4.750 1.00 1.75 N ATOM 0 H LYS A 77 12.202 -9.853 -5.816 1.00 0.72 H new ATOM 0 HA LYS A 77 14.478 -11.548 -5.278 1.00 0.79 H new ATOM 0 HB2 LYS A 77 13.562 -11.366 -8.071 1.00 0.86 H new ATOM 0 HB3 LYS A 77 13.770 -12.769 -7.043 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.404 -10.887 -6.878 1.00 0.76 H new ATOM 0 HG3 LYS A 77 11.426 -12.354 -7.835 1.00 0.76 H new ATOM 0 HD2 LYS A 77 11.997 -12.403 -4.851 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.358 -12.449 -5.469 1.00 0.89 H new ATOM 0 HE2 LYS A 77 10.964 -14.493 -6.814 1.00 0.96 H new ATOM 0 HE3 LYS A 77 12.559 -14.465 -6.088 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 11.096 -15.988 -4.930 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 11.537 -14.713 -3.900 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.992 -14.740 -4.603 1.00 1.75 H new ATOM 1173 N ASP A 78 14.607 -9.006 -7.413 1.00 0.74 N ATOM 1174 CA ASP A 78 15.467 -8.042 -8.123 1.00 0.79 C ATOM 1175 C ASP A 78 15.898 -6.902 -7.191 1.00 0.77 C ATOM 1176 O ASP A 78 15.140 -6.505 -6.305 1.00 0.80 O ATOM 1177 CB ASP A 78 14.737 -7.469 -9.341 1.00 0.84 C ATOM 1178 CG ASP A 78 14.561 -8.489 -10.451 1.00 1.19 C ATOM 1179 OD1 ASP A 78 13.533 -9.197 -10.448 1.00 1.66 O ATOM 1180 OD2 ASP A 78 15.452 -8.578 -11.321 1.00 1.92 O ATOM 0 H ASP A 78 13.609 -8.822 -7.519 1.00 0.74 H new ATOM 0 HA ASP A 78 16.358 -8.572 -8.459 1.00 0.79 H new ATOM 0 HB2 ASP A 78 13.758 -7.101 -9.033 1.00 0.84 H new ATOM 0 HB3 ASP A 78 15.294 -6.614 -9.724 1.00 0.84 H new ATOM 1185 N THR A 79 17.120 -6.384 -7.399 1.00 0.79 N ATOM 1186 CA THR A 79 17.670 -5.304 -6.574 1.00 0.82 C ATOM 1187 C THR A 79 17.277 -3.920 -7.077 1.00 0.73 C ATOM 1188 O THR A 79 17.979 -2.924 -6.853 1.00 0.78 O ATOM 1189 CB THR A 79 19.205 -5.398 -6.427 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.815 -5.541 -7.715 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.604 -6.568 -5.535 1.00 1.15 C ATOM 0 H THR A 79 17.747 -6.701 -8.138 1.00 0.79 H new ATOM 0 HA THR A 79 17.224 -5.441 -5.589 1.00 0.82 H new ATOM 0 HB THR A 79 19.554 -4.477 -5.960 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.788 -5.598 -7.612 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.690 -6.608 -5.451 1.00 1.15 H new ATOM 0 HG22 THR A 79 19.168 -6.436 -4.545 1.00 1.15 H new ATOM 0 HG23 THR A 79 19.240 -7.498 -5.971 1.00 1.15 H new ATOM 1199 N ASP A 80 16.132 -3.877 -7.737 1.00 0.66 N ATOM 1200 CA ASP A 80 15.561 -2.639 -8.261 1.00 0.67 C ATOM 1201 C ASP A 80 14.803 -1.882 -7.152 1.00 0.66 C ATOM 1202 O ASP A 80 14.126 -0.880 -7.409 1.00 0.74 O ATOM 1203 CB ASP A 80 14.627 -2.941 -9.441 1.00 0.77 C ATOM 1204 CG ASP A 80 15.376 -3.405 -10.676 1.00 1.18 C ATOM 1205 OD1 ASP A 80 15.760 -2.544 -11.496 1.00 1.72 O ATOM 1206 OD2 ASP A 80 15.579 -4.628 -10.823 1.00 1.86 O ATOM 0 H ASP A 80 15.566 -4.704 -7.928 1.00 0.66 H new ATOM 0 HA ASP A 80 16.374 -2.005 -8.615 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.911 -3.708 -9.146 1.00 0.77 H new ATOM 0 HB3 ASP A 80 14.054 -2.046 -9.683 1.00 0.77 H new ATOM 1211 N SER A 81 14.958 -2.377 -5.911 1.00 0.67 N ATOM 1212 CA SER A 81 14.299 -1.825 -4.713 1.00 0.75 C ATOM 1213 C SER A 81 14.738 -0.387 -4.356 1.00 0.68 C ATOM 1214 O SER A 81 14.066 0.278 -3.563 1.00 0.76 O ATOM 1215 CB SER A 81 14.575 -2.755 -3.526 1.00 0.92 C ATOM 1216 OG SER A 81 13.878 -2.340 -2.361 1.00 1.07 O ATOM 0 H SER A 81 15.552 -3.181 -5.709 1.00 0.67 H new ATOM 0 HA SER A 81 13.234 -1.766 -4.938 1.00 0.75 H new ATOM 0 HB2 SER A 81 14.279 -3.772 -3.784 1.00 0.92 H new ATOM 0 HB3 SER A 81 15.645 -2.776 -3.322 1.00 0.92 H new ATOM 0 HG SER A 81 13.800 -1.363 -2.357 1.00 1.07 H new ATOM 1222 N GLU A 82 15.850 0.083 -4.938 1.00 0.62 N ATOM 1223 CA GLU A 82 16.384 1.422 -4.636 1.00 0.63 C ATOM 1224 C GLU A 82 15.744 2.542 -5.479 1.00 0.57 C ATOM 1225 O GLU A 82 15.448 3.618 -4.950 1.00 0.58 O ATOM 1226 CB GLU A 82 17.907 1.425 -4.830 1.00 0.72 C ATOM 1227 CG GLU A 82 18.641 2.445 -3.967 1.00 0.78 C ATOM 1228 CD GLU A 82 20.141 2.423 -4.186 1.00 1.34 C ATOM 1229 OE1 GLU A 82 20.625 3.181 -5.053 1.00 1.65 O ATOM 1230 OE2 GLU A 82 20.831 1.649 -3.491 1.00 2.12 O ATOM 0 H GLU A 82 16.398 -0.442 -5.620 1.00 0.62 H new ATOM 0 HA GLU A 82 16.131 1.635 -3.597 1.00 0.63 H new ATOM 0 HB2 GLU A 82 18.293 0.431 -4.606 1.00 0.72 H new ATOM 0 HB3 GLU A 82 18.129 1.625 -5.878 1.00 0.72 H new ATOM 0 HG2 GLU A 82 18.260 3.442 -4.187 1.00 0.78 H new ATOM 0 HG3 GLU A 82 18.428 2.247 -2.917 1.00 0.78 H new ATOM 1237 N GLU A 83 15.535 2.287 -6.776 1.00 0.55 N ATOM 1238 CA GLU A 83 14.967 3.292 -7.696 1.00 0.58 C ATOM 1239 C GLU A 83 13.431 3.335 -7.683 1.00 0.59 C ATOM 1240 O GLU A 83 12.835 4.301 -8.171 1.00 0.65 O ATOM 1241 CB GLU A 83 15.458 3.033 -9.125 1.00 0.64 C ATOM 1242 CG GLU A 83 16.915 3.409 -9.353 1.00 0.71 C ATOM 1243 CD GLU A 83 17.368 3.150 -10.777 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.864 2.036 -11.049 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.226 4.061 -11.620 1.00 1.27 O ATOM 0 H GLU A 83 15.750 1.393 -7.217 1.00 0.55 H new ATOM 0 HA GLU A 83 15.315 4.262 -7.341 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.324 1.977 -9.359 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.835 3.595 -9.821 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.055 4.464 -9.117 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.544 2.842 -8.667 1.00 0.71 H new ATOM 1252 N GLU A 84 12.803 2.296 -7.126 1.00 0.60 N ATOM 1253 CA GLU A 84 11.334 2.191 -7.077 1.00 0.68 C ATOM 1254 C GLU A 84 10.705 2.924 -5.878 1.00 0.63 C ATOM 1255 O GLU A 84 9.680 3.586 -6.024 1.00 0.69 O ATOM 1256 CB GLU A 84 10.915 0.708 -7.056 1.00 0.80 C ATOM 1257 CG GLU A 84 11.558 -0.120 -5.942 1.00 1.14 C ATOM 1258 CD GLU A 84 11.202 -1.589 -6.019 1.00 1.74 C ATOM 1259 OE1 GLU A 84 11.930 -2.337 -6.701 1.00 2.23 O ATOM 1260 OE2 GLU A 84 10.200 -1.991 -5.393 1.00 2.31 O ATOM 0 H GLU A 84 13.289 1.508 -6.699 1.00 0.60 H new ATOM 0 HA GLU A 84 10.959 2.682 -7.975 1.00 0.68 H new ATOM 0 HB2 GLU A 84 9.831 0.652 -6.953 1.00 0.80 H new ATOM 0 HB3 GLU A 84 11.168 0.259 -8.017 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.641 -0.011 -5.994 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.244 0.275 -4.976 1.00 1.14 H new ATOM 1267 N ILE A 85 11.335 2.790 -4.707 1.00 0.57 N ATOM 1268 CA ILE A 85 10.850 3.378 -3.441 1.00 0.54 C ATOM 1269 C ILE A 85 10.668 4.909 -3.475 1.00 0.50 C ATOM 1270 O ILE A 85 9.849 5.443 -2.721 1.00 0.50 O ATOM 1271 CB ILE A 85 11.784 2.928 -2.274 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.008 2.791 -0.958 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.990 3.852 -2.093 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.917 1.364 -0.454 1.00 0.57 C ATOM 0 H ILE A 85 12.204 2.267 -4.603 1.00 0.57 H new ATOM 0 HA ILE A 85 9.842 2.996 -3.278 1.00 0.54 H new ATOM 0 HB ILE A 85 12.170 1.948 -2.553 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.488 3.407 -0.197 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.001 3.184 -1.097 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.604 3.491 -1.268 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.581 3.862 -3.009 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.645 4.862 -1.873 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.355 1.343 0.480 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.410 0.748 -1.196 1.00 0.57 H new ATOM 0 HD13 ILE A 85 11.920 0.974 -0.282 1.00 0.57 H new ATOM 1286 N ARG A 86 11.419 5.601 -4.334 1.00 0.50 N ATOM 1287 CA ARG A 86 11.311 7.043 -4.447 1.00 0.50 C ATOM 1288 C ARG A 86 10.173 7.442 -5.397 1.00 0.52 C ATOM 1289 O ARG A 86 9.573 8.509 -5.242 1.00 0.53 O ATOM 1290 CB ARG A 86 12.637 7.623 -4.907 1.00 0.54 C ATOM 1291 CG ARG A 86 13.779 7.434 -3.912 1.00 1.10 C ATOM 1292 CD ARG A 86 14.928 8.399 -4.174 1.00 1.26 C ATOM 1293 NE ARG A 86 15.677 8.063 -5.393 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.716 8.764 -5.869 1.00 2.08 C ATOM 1295 NH1 ARG A 86 17.156 9.855 -5.244 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.318 8.367 -6.982 1.00 2.95 N ATOM 0 H ARG A 86 12.106 5.179 -4.958 1.00 0.50 H new ATOM 0 HA ARG A 86 11.071 7.453 -3.466 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.914 7.160 -5.854 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.509 8.688 -5.098 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.405 7.581 -2.899 1.00 1.10 H new ATOM 0 HG3 ARG A 86 14.145 6.409 -3.971 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.535 9.412 -4.260 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.606 8.392 -3.321 1.00 1.26 H new ATOM 0 HE ARG A 86 15.385 7.237 -5.915 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.701 10.171 -4.387 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.948 10.375 -5.622 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.990 7.533 -7.470 1.00 2.95 H new ATOM 0 HH22 ARG A 86 18.109 8.895 -7.350 1.00 2.95 H new ATOM 1310 N GLU A 87 9.890 6.569 -6.377 1.00 0.57 N ATOM 1311 CA GLU A 87 8.797 6.773 -7.338 1.00 0.63 C ATOM 1312 C GLU A 87 7.506 6.212 -6.758 1.00 0.62 C ATOM 1313 O GLU A 87 6.409 6.687 -7.065 1.00 0.65 O ATOM 1314 CB GLU A 87 9.116 6.103 -8.676 1.00 0.73 C ATOM 1315 CG GLU A 87 10.313 6.708 -9.396 1.00 0.77 C ATOM 1316 CD GLU A 87 10.648 5.983 -10.684 1.00 1.39 C ATOM 1317 OE1 GLU A 87 11.434 5.013 -10.633 1.00 2.08 O ATOM 1318 OE2 GLU A 87 10.125 6.384 -11.745 1.00 2.02 O ATOM 0 H GLU A 87 10.411 5.705 -6.524 1.00 0.57 H new ATOM 0 HA GLU A 87 8.679 7.841 -7.519 1.00 0.63 H new ATOM 0 HB2 GLU A 87 9.304 5.043 -8.505 1.00 0.73 H new ATOM 0 HB3 GLU A 87 8.242 6.171 -9.323 1.00 0.73 H new ATOM 0 HG2 GLU A 87 10.108 7.756 -9.616 1.00 0.77 H new ATOM 0 HG3 GLU A 87 11.179 6.685 -8.735 1.00 0.77 H new ATOM 1325 N ALA A 88 7.668 5.181 -5.912 1.00 0.60 N ATOM 1326 CA ALA A 88 6.561 4.556 -5.185 1.00 0.62 C ATOM 1327 C ALA A 88 6.018 5.551 -4.161 1.00 0.55 C ATOM 1328 O ALA A 88 4.936 5.370 -3.613 1.00 0.56 O ATOM 1329 CB ALA A 88 6.998 3.251 -4.544 1.00 0.70 C ATOM 0 H ALA A 88 8.576 4.759 -5.715 1.00 0.60 H new ATOM 0 HA ALA A 88 5.760 4.302 -5.879 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.157 2.808 -4.011 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.341 2.563 -5.317 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.811 3.444 -3.844 1.00 0.70 H new ATOM 1335 N PHE A 89 6.843 6.575 -3.878 1.00 0.51 N ATOM 1336 CA PHE A 89 6.466 7.695 -3.012 1.00 0.49 C ATOM 1337 C PHE A 89 5.574 8.612 -3.819 1.00 0.47 C ATOM 1338 O PHE A 89 4.570 9.124 -3.321 1.00 0.47 O ATOM 1339 CB PHE A 89 7.672 8.547 -2.611 1.00 0.51 C ATOM 1340 CG PHE A 89 7.411 9.533 -1.480 1.00 0.53 C ATOM 1341 CD1 PHE A 89 6.851 9.140 -0.267 1.00 1.27 C ATOM 1342 CD2 PHE A 89 7.706 10.877 -1.665 1.00 1.19 C ATOM 1343 CE1 PHE A 89 6.595 10.071 0.725 1.00 1.29 C ATOM 1344 CE2 PHE A 89 7.456 11.803 -0.674 1.00 1.22 C ATOM 1345 CZ PHE A 89 6.898 11.401 0.520 1.00 0.65 C ATOM 0 H PHE A 89 7.791 6.645 -4.247 1.00 0.51 H new ATOM 0 HA PHE A 89 5.995 7.283 -2.120 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.485 7.884 -2.315 1.00 0.51 H new ATOM 0 HB3 PHE A 89 8.014 9.101 -3.485 1.00 0.51 H new ATOM 0 HD1 PHE A 89 6.614 8.100 -0.099 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.138 11.202 -2.600 1.00 1.19 H new ATOM 0 HE1 PHE A 89 6.157 9.756 1.661 1.00 1.29 H new ATOM 0 HE2 PHE A 89 7.698 12.843 -0.834 1.00 1.22 H new ATOM 0 HZ PHE A 89 6.698 12.127 1.295 1.00 0.65 H new ATOM 1355 N ARG A 90 5.980 8.806 -5.096 1.00 0.50 N ATOM 1356 CA ARG A 90 5.264 9.667 -6.018 1.00 0.54 C ATOM 1357 C ARG A 90 3.815 9.205 -6.191 1.00 0.54 C ATOM 1358 O ARG A 90 2.938 9.970 -6.603 1.00 0.60 O ATOM 1359 CB ARG A 90 5.975 9.708 -7.370 1.00 0.62 C ATOM 1360 CG ARG A 90 7.173 10.639 -7.404 1.00 1.26 C ATOM 1361 CD ARG A 90 7.875 10.576 -8.748 1.00 1.50 C ATOM 1362 NE ARG A 90 9.074 11.421 -8.783 1.00 2.03 N ATOM 1363 CZ ARG A 90 9.905 11.526 -9.830 1.00 2.50 C ATOM 1364 NH1 ARG A 90 9.688 10.844 -10.954 1.00 2.61 N ATOM 1365 NH2 ARG A 90 10.961 12.323 -9.749 1.00 3.17 N ATOM 0 H ARG A 90 6.808 8.366 -5.497 1.00 0.50 H new ATOM 0 HA ARG A 90 5.250 10.673 -5.599 1.00 0.54 H new ATOM 0 HB2 ARG A 90 6.302 8.701 -7.629 1.00 0.62 H new ATOM 0 HB3 ARG A 90 5.263 10.019 -8.135 1.00 0.62 H new ATOM 0 HG2 ARG A 90 6.849 11.661 -7.207 1.00 1.26 H new ATOM 0 HG3 ARG A 90 7.871 10.367 -6.612 1.00 1.26 H new ATOM 0 HD2 ARG A 90 8.152 9.544 -8.964 1.00 1.50 H new ATOM 0 HD3 ARG A 90 7.186 10.892 -9.532 1.00 1.50 H new ATOM 0 HE ARG A 90 9.291 11.968 -7.950 1.00 2.03 H new ATOM 0 HH11 ARG A 90 8.878 10.229 -11.029 1.00 2.61 H new ATOM 0 HH12 ARG A 90 10.332 10.937 -11.740 1.00 2.61 H new ATOM 0 HH21 ARG A 90 11.137 12.851 -8.894 1.00 3.17 H new ATOM 0 HH22 ARG A 90 11.598 12.408 -10.541 1.00 3.17 H new ATOM 1379 N VAL A 91 3.610 7.923 -5.866 1.00 0.51 N ATOM 1380 CA VAL A 91 2.318 7.247 -5.891 1.00 0.53 C ATOM 1381 C VAL A 91 1.256 8.045 -5.107 1.00 0.54 C ATOM 1382 O VAL A 91 0.126 8.229 -5.567 1.00 0.60 O ATOM 1383 CB VAL A 91 2.509 5.824 -5.291 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.150 5.749 -3.806 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.753 4.797 -6.100 1.00 0.59 C ATOM 0 H VAL A 91 4.370 7.311 -5.569 1.00 0.51 H new ATOM 0 HA VAL A 91 1.957 7.172 -6.917 1.00 0.53 H new ATOM 0 HB VAL A 91 3.573 5.594 -5.352 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.304 4.732 -3.445 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.785 6.433 -3.243 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.105 6.028 -3.670 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.900 3.809 -5.663 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.691 5.041 -6.096 1.00 0.59 H new ATOM 0 HG23 VAL A 91 2.122 4.799 -7.126 1.00 0.59 H new ATOM 1395 N PHE A 92 1.668 8.503 -3.917 1.00 0.49 N ATOM 1396 CA PHE A 92 0.841 9.288 -3.037 1.00 0.54 C ATOM 1397 C PHE A 92 1.257 10.749 -3.146 1.00 0.60 C ATOM 1398 O PHE A 92 0.418 11.653 -3.083 1.00 0.69 O ATOM 1399 CB PHE A 92 0.956 8.790 -1.582 1.00 0.53 C ATOM 1400 CG PHE A 92 0.254 9.663 -0.568 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -1.127 9.649 -0.452 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.983 10.508 0.252 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -1.766 10.461 0.463 1.00 2.69 C ATOM 1404 CE2 PHE A 92 0.349 11.319 1.171 1.00 2.68 C ATOM 1405 CZ PHE A 92 -1.026 11.297 1.277 1.00 2.89 C ATOM 0 H PHE A 92 2.602 8.327 -3.548 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.203 9.185 -3.333 1.00 0.54 H new ATOM 0 HB2 PHE A 92 0.546 7.782 -1.522 1.00 0.53 H new ATOM 0 HB3 PHE A 92 2.011 8.721 -1.316 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -1.710 8.996 -1.085 1.00 1.94 H new ATOM 0 HD2 PHE A 92 2.060 10.533 0.171 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -2.843 10.443 0.543 1.00 2.69 H new ATOM 0 HE2 PHE A 92 0.929 11.971 1.807 1.00 2.68 H new ATOM 0 HZ PHE A 92 -1.523 11.932 1.995 1.00 2.89 H new ATOM 1415 N ALA A 93 2.571 10.958 -3.312 1.00 0.57 N ATOM 1416 CA ALA A 93 3.129 12.297 -3.442 1.00 0.66 C ATOM 1417 C ALA A 93 2.955 12.845 -4.856 1.00 0.85 C ATOM 1418 O ALA A 93 3.804 12.641 -5.735 1.00 1.63 O ATOM 1419 CB ALA A 93 4.600 12.354 -3.035 1.00 0.65 C ATOM 0 H ALA A 93 3.263 10.210 -3.359 1.00 0.57 H new ATOM 0 HA ALA A 93 2.567 12.928 -2.754 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.970 13.373 -3.150 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.702 12.046 -1.994 1.00 0.65 H new ATOM 0 HB3 ALA A 93 5.179 11.684 -3.670 1.00 0.65 H new ATOM 1425 N LYS A 94 1.825 13.519 -5.069 1.00 1.24 N ATOM 1426 CA LYS A 94 1.529 14.145 -6.356 1.00 1.42 C ATOM 1427 C LYS A 94 2.077 15.566 -6.363 1.00 1.36 C ATOM 1428 O LYS A 94 1.996 16.282 -7.368 1.00 1.78 O ATOM 1429 CB LYS A 94 0.020 14.147 -6.632 1.00 1.75 C ATOM 1430 CG LYS A 94 -0.553 12.770 -6.937 1.00 2.06 C ATOM 1431 CD LYS A 94 -2.054 12.832 -7.171 1.00 2.52 C ATOM 1432 CE LYS A 94 -2.629 11.456 -7.465 1.00 2.90 C ATOM 1433 NZ LYS A 94 -4.101 11.504 -7.685 1.00 3.37 N ATOM 0 H LYS A 94 1.098 13.645 -4.364 1.00 1.24 H new ATOM 0 HA LYS A 94 2.008 13.569 -7.148 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -0.497 14.561 -5.767 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -0.185 14.809 -7.473 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -0.063 12.358 -7.819 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -0.340 12.094 -6.109 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -2.543 13.252 -6.292 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.266 13.502 -8.004 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -2.143 11.041 -8.348 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -2.408 10.785 -6.635 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -4.454 10.546 -7.882 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -4.567 11.876 -6.833 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -4.311 12.124 -8.493 1.00 3.37 H new ATOM 1447 N ASP A 95 2.648 15.947 -5.216 1.00 1.40 N ATOM 1448 CA ASP A 95 3.252 17.254 -5.035 1.00 1.71 C ATOM 1449 C ASP A 95 4.747 17.202 -5.353 1.00 1.53 C ATOM 1450 O ASP A 95 5.421 18.238 -5.377 1.00 1.84 O ATOM 1451 CB ASP A 95 3.019 17.750 -3.600 1.00 2.30 C ATOM 1452 CG ASP A 95 3.097 19.262 -3.477 1.00 2.81 C ATOM 1453 OD1 ASP A 95 2.054 19.927 -3.649 1.00 3.23 O ATOM 1454 OD2 ASP A 95 4.201 19.780 -3.207 1.00 3.21 O ATOM 0 H ASP A 95 2.700 15.350 -4.390 1.00 1.40 H new ATOM 0 HA ASP A 95 2.782 17.955 -5.725 1.00 1.71 H new ATOM 0 HB2 ASP A 95 2.040 17.413 -3.259 1.00 2.30 H new ATOM 0 HB3 ASP A 95 3.760 17.298 -2.940 1.00 2.30 H new ATOM 1459 N GLY A 96 5.254 15.981 -5.605 1.00 1.38 N ATOM 1460 CA GLY A 96 6.673 15.781 -5.910 1.00 1.83 C ATOM 1461 C GLY A 96 7.610 16.088 -4.740 1.00 1.85 C ATOM 1462 O GLY A 96 8.831 15.964 -4.877 1.00 2.43 O ATOM 0 H GLY A 96 4.700 15.124 -5.602 1.00 1.38 H new ATOM 0 HA2 GLY A 96 6.825 14.748 -6.222 1.00 1.83 H new ATOM 0 HA3 GLY A 96 6.945 16.413 -6.755 1.00 1.83 H new ATOM 1466 N ASN A 97 7.034 16.486 -3.596 1.00 1.55 N ATOM 1467 CA ASN A 97 7.801 16.819 -2.412 1.00 1.99 C ATOM 1468 C ASN A 97 7.468 15.878 -1.249 1.00 1.78 C ATOM 1469 O ASN A 97 8.271 14.998 -0.926 1.00 2.66 O ATOM 1470 CB ASN A 97 7.584 18.289 -2.017 1.00 2.43 C ATOM 1471 CG ASN A 97 8.227 19.258 -2.992 1.00 3.41 C ATOM 1472 OD1 ASN A 97 7.603 19.682 -3.965 1.00 4.01 O ATOM 1473 ND2 ASN A 97 9.480 19.612 -2.735 1.00 4.00 N ATOM 0 H ASN A 97 6.025 16.582 -3.477 1.00 1.55 H new ATOM 0 HA ASN A 97 8.857 16.685 -2.649 1.00 1.99 H new ATOM 0 HB2 ASN A 97 6.515 18.492 -1.961 1.00 2.43 H new ATOM 0 HB3 ASN A 97 7.993 18.457 -1.021 1.00 2.43 H new ATOM 0 HD21 ASN A 97 9.964 20.260 -3.356 1.00 4.00 H new ATOM 0 HD22 ASN A 97 9.959 19.236 -1.917 1.00 4.00 H new ATOM 1480 N GLY A 98 6.288 16.059 -0.619 1.00 1.20 N ATOM 1481 CA GLY A 98 5.900 15.223 0.487 1.00 1.80 C ATOM 1482 C GLY A 98 6.240 15.870 1.803 1.00 1.46 C ATOM 1483 O GLY A 98 7.392 16.231 2.036 1.00 1.68 O ATOM 0 H GLY A 98 5.607 16.776 -0.870 1.00 1.20 H new ATOM 0 HA2 GLY A 98 4.829 15.028 0.441 1.00 1.80 H new ATOM 0 HA3 GLY A 98 6.403 14.259 0.412 1.00 1.80 H new ATOM 1487 N TYR A 99 5.217 16.088 2.614 1.00 1.07 N ATOM 1488 CA TYR A 99 5.389 16.674 3.951 1.00 0.84 C ATOM 1489 C TYR A 99 4.967 15.731 5.053 1.00 0.81 C ATOM 1490 O TYR A 99 4.309 14.711 4.823 1.00 0.96 O ATOM 1491 CB TYR A 99 4.608 17.991 4.088 1.00 1.07 C ATOM 1492 CG TYR A 99 5.231 19.151 3.345 1.00 1.57 C ATOM 1493 CD1 TYR A 99 4.892 19.417 2.024 1.00 2.28 C ATOM 1494 CD2 TYR A 99 6.159 19.980 3.964 1.00 2.37 C ATOM 1495 CE1 TYR A 99 5.461 20.475 1.341 1.00 3.13 C ATOM 1496 CE2 TYR A 99 6.731 21.041 3.287 1.00 3.24 C ATOM 1497 CZ TYR A 99 6.379 21.284 1.977 1.00 3.46 C ATOM 1498 OH TYR A 99 6.946 22.339 1.300 1.00 4.47 O ATOM 0 H TYR A 99 4.250 15.869 2.375 1.00 1.07 H new ATOM 0 HA TYR A 99 6.456 16.870 4.058 1.00 0.84 H new ATOM 0 HB2 TYR A 99 3.593 17.840 3.721 1.00 1.07 H new ATOM 0 HB3 TYR A 99 4.530 18.248 5.144 1.00 1.07 H new ATOM 0 HD1 TYR A 99 4.172 18.787 1.523 1.00 2.28 H new ATOM 0 HD2 TYR A 99 6.438 19.792 4.990 1.00 2.37 H new ATOM 0 HE1 TYR A 99 5.188 20.667 0.314 1.00 3.13 H new ATOM 0 HE2 TYR A 99 7.450 21.676 3.782 1.00 3.24 H new ATOM 0 HH TYR A 99 7.571 22.809 1.891 1.00 4.47 H new ATOM 1508 N ILE A 100 5.372 16.116 6.262 1.00 1.17 N ATOM 1509 CA ILE A 100 5.091 15.380 7.480 1.00 1.39 C ATOM 1510 C ILE A 100 3.618 15.502 7.902 1.00 1.13 C ATOM 1511 O ILE A 100 3.200 16.584 8.327 1.00 1.43 O ATOM 1512 CB ILE A 100 5.990 15.882 8.677 1.00 2.12 C ATOM 1513 CG1 ILE A 100 6.069 17.426 8.729 1.00 2.36 C ATOM 1514 CG2 ILE A 100 7.395 15.302 8.616 1.00 2.84 C ATOM 1515 CD1 ILE A 100 5.923 18.007 10.122 1.00 3.08 C ATOM 0 H ILE A 100 5.915 16.965 6.419 1.00 1.17 H new ATOM 0 HA ILE A 100 5.316 14.337 7.257 1.00 1.39 H new ATOM 0 HB ILE A 100 5.507 15.526 9.587 1.00 2.12 H new ATOM 0 HG12 ILE A 100 7.025 17.744 8.313 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.289 17.841 8.090 1.00 2.36 H new ATOM 0 HG21 ILE A 100 7.979 15.674 9.458 1.00 2.84 H new ATOM 0 HG22 ILE A 100 7.342 14.214 8.663 1.00 2.84 H new ATOM 0 HG23 ILE A 100 7.872 15.602 7.683 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.990 19.094 10.072 1.00 3.08 H new ATOM 0 HD12 ILE A 100 4.956 17.722 10.536 1.00 3.08 H new ATOM 0 HD13 ILE A 100 6.718 17.624 10.761 1.00 3.08 H new ATOM 1527 N SER A 101 2.790 14.461 7.657 1.00 0.79 N ATOM 1528 CA SER A 101 1.429 14.450 8.172 1.00 0.64 C ATOM 1529 C SER A 101 0.968 13.012 8.408 1.00 0.64 C ATOM 1530 O SER A 101 1.105 12.161 7.528 1.00 0.70 O ATOM 1531 CB SER A 101 0.494 15.220 7.235 1.00 0.71 C ATOM 1532 OG SER A 101 -0.870 15.072 7.601 1.00 1.45 O ATOM 0 H SER A 101 3.048 13.637 7.114 1.00 0.79 H new ATOM 0 HA SER A 101 1.402 14.961 9.135 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.759 16.277 7.247 1.00 0.71 H new ATOM 0 HB3 SER A 101 0.635 14.868 6.213 1.00 0.71 H new ATOM 0 HG SER A 101 -1.400 15.783 7.183 1.00 1.45 H new ATOM 1538 N ALA A 102 0.441 12.743 9.615 1.00 0.72 N ATOM 1539 CA ALA A 102 -0.107 11.421 9.954 1.00 0.83 C ATOM 1540 C ALA A 102 -1.504 11.306 9.368 1.00 0.77 C ATOM 1541 O ALA A 102 -2.078 10.217 9.278 1.00 0.87 O ATOM 1542 CB ALA A 102 -0.138 11.187 11.456 1.00 1.01 C ATOM 0 H ALA A 102 0.384 13.425 10.371 1.00 0.72 H new ATOM 0 HA ALA A 102 0.542 10.655 9.529 1.00 0.83 H new ATOM 0 HB1 ALA A 102 -0.550 10.199 11.662 1.00 1.01 H new ATOM 0 HB2 ALA A 102 0.875 11.248 11.855 1.00 1.01 H new ATOM 0 HB3 ALA A 102 -0.761 11.946 11.930 1.00 1.01 H new ATOM 1548 N ALA A 103 -2.032 12.476 8.971 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.341 12.593 8.337 1.00 0.71 C ATOM 1550 C ALA A 103 -3.294 12.006 6.928 1.00 0.64 C ATOM 1551 O ALA A 103 -4.334 11.738 6.325 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.785 14.047 8.297 1.00 0.84 C ATOM 0 H ALA A 103 -1.553 13.369 9.085 1.00 0.68 H new ATOM 0 HA ALA A 103 -4.067 12.032 8.925 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.763 14.116 7.821 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -3.848 14.436 9.313 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -3.063 14.632 7.728 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.058 11.825 6.409 1.00 0.59 N ATOM 1559 CA GLU A 104 -1.824 11.255 5.077 1.00 0.69 C ATOM 1560 C GLU A 104 -2.559 9.926 4.906 1.00 0.67 C ATOM 1561 O GLU A 104 -3.107 9.651 3.839 1.00 0.74 O ATOM 1562 CB GLU A 104 -0.338 11.069 4.811 1.00 0.85 C ATOM 1563 CG GLU A 104 0.429 12.376 4.663 1.00 0.99 C ATOM 1564 CD GLU A 104 1.854 12.180 4.181 1.00 1.24 C ATOM 1565 OE1 GLU A 104 2.174 12.642 3.066 1.00 1.81 O ATOM 1566 OE2 GLU A 104 2.654 11.574 4.922 1.00 1.65 O ATOM 0 H GLU A 104 -1.202 12.072 6.906 1.00 0.59 H new ATOM 0 HA GLU A 104 -2.219 11.963 4.349 1.00 0.69 H new ATOM 0 HB2 GLU A 104 0.098 10.493 5.627 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -0.212 10.480 3.903 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -0.099 13.023 3.962 1.00 0.99 H new ATOM 0 HG3 GLU A 104 0.445 12.892 5.623 1.00 0.99 H new ATOM 1573 N LEU A 105 -2.573 9.121 5.988 1.00 0.68 N ATOM 1574 CA LEU A 105 -3.263 7.829 6.035 1.00 0.80 C ATOM 1575 C LEU A 105 -4.706 7.918 5.580 1.00 0.68 C ATOM 1576 O LEU A 105 -5.241 6.993 4.960 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.213 7.286 7.459 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.209 6.170 7.680 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -1.141 6.589 8.675 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -2.932 4.917 8.145 1.00 1.81 C ATOM 0 H LEU A 105 -2.099 9.358 6.859 1.00 0.68 H new ATOM 0 HA LEU A 105 -2.749 7.159 5.345 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -2.978 8.106 8.137 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -4.204 6.922 7.729 1.00 1.07 H new ATOM 0 HG LEU A 105 -1.707 5.954 6.737 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -0.434 5.771 8.816 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -0.613 7.464 8.295 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -1.608 6.833 9.629 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -2.209 4.117 8.303 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -3.454 5.124 9.079 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.653 4.610 7.387 1.00 1.81 H new ATOM 1592 N ARG A 106 -5.308 9.041 5.903 1.00 0.65 N ATOM 1593 CA ARG A 106 -6.682 9.320 5.563 1.00 0.68 C ATOM 1594 C ARG A 106 -6.809 9.899 4.145 1.00 0.66 C ATOM 1595 O ARG A 106 -7.870 9.784 3.532 1.00 0.74 O ATOM 1596 CB ARG A 106 -7.257 10.224 6.659 1.00 0.79 C ATOM 1597 CG ARG A 106 -7.293 11.723 6.358 1.00 0.97 C ATOM 1598 CD ARG A 106 -7.892 12.509 7.513 1.00 1.46 C ATOM 1599 NE ARG A 106 -7.940 13.948 7.234 1.00 1.70 N ATOM 1600 CZ ARG A 106 -8.434 14.872 8.070 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -8.933 14.531 9.257 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -8.427 16.149 7.713 1.00 2.39 N ATOM 0 H ARG A 106 -4.850 9.794 6.416 1.00 0.65 H new ATOM 0 HA ARG A 106 -7.269 8.402 5.530 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -8.274 9.895 6.874 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -6.674 10.072 7.567 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -6.282 12.080 6.159 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -7.877 11.900 5.455 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -8.900 12.145 7.715 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.304 12.334 8.414 1.00 1.46 H new ATOM 0 HE ARG A 106 -7.571 14.269 6.339 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -8.944 13.552 9.544 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -9.304 15.249 9.879 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -8.047 16.423 6.807 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -8.801 16.857 8.344 1.00 2.39 H new ATOM 1616 N HIS A 107 -5.723 10.515 3.625 1.00 0.67 N ATOM 1617 CA HIS A 107 -5.751 11.081 2.274 1.00 0.82 C ATOM 1618 C HIS A 107 -5.525 9.998 1.210 1.00 0.87 C ATOM 1619 O HIS A 107 -6.048 10.107 0.097 1.00 1.00 O ATOM 1620 CB HIS A 107 -4.702 12.188 2.155 1.00 0.94 C ATOM 1621 CG HIS A 107 -4.903 13.110 0.987 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -5.463 14.366 1.105 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -4.612 12.954 -0.327 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -5.509 14.940 -0.084 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -4.998 14.104 -0.968 1.00 1.46 N ATOM 0 H HIS A 107 -4.836 10.627 4.116 1.00 0.67 H new ATOM 0 HA HIS A 107 -6.739 11.508 2.099 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -4.707 12.777 3.072 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -3.716 11.730 2.076 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -4.160 12.086 -0.785 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -5.898 15.925 -0.296 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -4.905 14.284 -1.968 1.00 1.46 H new ATOM 1634 N VAL A 108 -4.744 8.962 1.557 1.00 0.90 N ATOM 1635 CA VAL A 108 -4.474 7.842 0.640 1.00 1.11 C ATOM 1636 C VAL A 108 -5.769 7.059 0.366 1.00 0.96 C ATOM 1637 O VAL A 108 -6.124 6.822 -0.791 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.387 6.843 1.160 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.727 6.109 -0.002 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.310 7.516 2.001 1.00 0.86 C ATOM 0 H VAL A 108 -4.288 8.877 2.466 1.00 0.90 H new ATOM 0 HA VAL A 108 -4.086 8.296 -0.272 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.913 6.136 1.801 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.975 5.420 0.383 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.482 5.550 -0.555 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.252 6.831 -0.666 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.587 6.770 2.331 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -1.803 8.274 1.404 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -2.769 7.986 2.871 1.00 0.86 H new ATOM 1650 N MET A 109 -6.454 6.648 1.448 1.00 0.88 N ATOM 1651 CA MET A 109 -7.713 5.917 1.357 1.00 0.80 C ATOM 1652 C MET A 109 -8.850 6.733 0.746 1.00 0.72 C ATOM 1653 O MET A 109 -9.682 6.177 0.028 1.00 0.73 O ATOM 1654 CB MET A 109 -8.076 5.371 2.739 1.00 0.80 C ATOM 1655 CG MET A 109 -7.739 3.920 2.881 1.00 1.72 C ATOM 1656 SD MET A 109 -8.325 3.214 4.433 1.00 2.24 S ATOM 1657 CE MET A 109 -8.773 1.561 3.906 1.00 3.24 C ATOM 0 H MET A 109 -6.144 6.817 2.405 1.00 0.88 H new ATOM 0 HA MET A 109 -7.568 5.087 0.665 1.00 0.80 H new ATOM 0 HB2 MET A 109 -7.548 5.941 3.503 1.00 0.80 H new ATOM 0 HB3 MET A 109 -9.142 5.513 2.915 1.00 0.80 H new ATOM 0 HG2 MET A 109 -8.175 3.368 2.049 1.00 1.72 H new ATOM 0 HG3 MET A 109 -6.658 3.795 2.816 1.00 1.72 H new ATOM 0 HE1 MET A 109 -9.637 1.219 4.476 1.00 3.24 H new ATOM 0 HE2 MET A 109 -9.020 1.572 2.844 1.00 3.24 H new ATOM 0 HE3 MET A 109 -7.935 0.885 4.077 1.00 3.24 H new ATOM 1667 N THR A 110 -8.865 8.041 0.998 1.00 0.72 N ATOM 1668 CA THR A 110 -9.891 8.926 0.420 1.00 0.77 C ATOM 1669 C THR A 110 -9.481 9.291 -1.009 1.00 0.89 C ATOM 1670 O THR A 110 -10.312 9.760 -1.793 1.00 0.97 O ATOM 1671 CB THR A 110 -10.135 10.195 1.277 1.00 0.83 C ATOM 1672 OG1 THR A 110 -10.273 9.828 2.655 1.00 0.78 O ATOM 1673 CG2 THR A 110 -11.394 10.944 0.842 1.00 0.97 C ATOM 0 H THR A 110 -8.186 8.515 1.594 1.00 0.72 H new ATOM 0 HA THR A 110 -10.840 8.390 0.406 1.00 0.77 H new ATOM 0 HB THR A 110 -9.277 10.852 1.137 1.00 0.83 H new ATOM 0 HG1 THR A 110 -9.412 9.508 2.996 1.00 0.78 H new ATOM 0 HG21 THR A 110 -11.527 11.826 1.468 1.00 0.97 H new ATOM 0 HG22 THR A 110 -11.294 11.250 -0.199 1.00 0.97 H new ATOM 0 HG23 THR A 110 -12.260 10.291 0.946 1.00 0.97 H new ATOM 1681 N ASN A 111 -8.182 9.087 -1.333 1.00 0.96 N ATOM 1682 CA ASN A 111 -7.687 9.286 -2.701 1.00 1.14 C ATOM 1683 C ASN A 111 -8.446 8.294 -3.590 1.00 1.13 C ATOM 1684 O ASN A 111 -8.696 8.547 -4.772 1.00 1.24 O ATOM 1685 CB ASN A 111 -6.175 9.054 -2.787 1.00 1.26 C ATOM 1686 CG ASN A 111 -5.528 9.834 -3.918 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -5.090 10.969 -3.733 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -5.467 9.227 -5.097 1.00 1.85 N ATOM 0 H ASN A 111 -7.470 8.788 -0.667 1.00 0.96 H new ATOM 0 HA ASN A 111 -7.857 10.312 -3.026 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -5.713 9.340 -1.842 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -5.982 7.990 -2.927 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -5.044 9.703 -5.894 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -5.843 8.285 -5.206 1.00 1.85 H new ATOM 1695 N LEU A 112 -8.800 7.150 -2.962 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.634 6.125 -3.577 1.00 1.04 C ATOM 1697 C LEU A 112 -11.092 6.437 -3.211 1.00 0.95 C ATOM 1698 O LEU A 112 -12.029 6.020 -3.897 1.00 1.02 O ATOM 1699 CB LEU A 112 -9.245 4.727 -3.078 1.00 1.07 C ATOM 1700 CG LEU A 112 -7.889 4.206 -3.568 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -7.233 3.346 -2.500 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -8.055 3.411 -4.857 1.00 1.54 C ATOM 0 H LEU A 112 -8.508 6.923 -2.011 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.498 6.130 -4.658 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -9.238 4.738 -1.988 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -10.018 4.022 -3.385 1.00 1.07 H new ATOM 0 HG LEU A 112 -7.246 5.062 -3.770 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -6.271 2.984 -2.864 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -7.080 3.939 -1.599 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.877 2.497 -2.270 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -7.082 3.049 -5.189 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -8.716 2.563 -4.679 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -8.486 4.051 -5.626 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.239 7.188 -2.100 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.536 7.632 -1.610 1.00 0.82 C ATOM 1716 C GLY A 113 -13.140 6.749 -0.544 1.00 0.76 C ATOM 1717 O GLY A 113 -14.365 6.653 -0.426 1.00 0.82 O ATOM 0 H GLY A 113 -10.455 7.497 -1.526 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.433 8.642 -1.212 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.227 7.689 -2.451 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.272 6.111 0.225 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.665 5.231 1.321 1.00 0.70 C ATOM 1723 C GLU A 114 -13.278 6.035 2.462 1.00 0.73 C ATOM 1724 O GLU A 114 -12.937 7.206 2.660 1.00 0.73 O ATOM 1725 CB GLU A 114 -11.454 4.457 1.815 1.00 0.70 C ATOM 1726 CG GLU A 114 -11.299 3.083 1.173 1.00 0.79 C ATOM 1727 CD GLU A 114 -12.144 2.016 1.848 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -13.297 1.809 1.414 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -11.651 1.389 2.809 1.00 2.12 O ATOM 0 H GLU A 114 -11.262 6.189 0.107 1.00 0.70 H new ATOM 0 HA GLU A 114 -13.415 4.529 0.957 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.556 5.043 1.620 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -11.527 4.337 2.896 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -11.575 3.146 0.121 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -10.251 2.786 1.210 1.00 0.79 H new ATOM 1736 N LYS A 115 -14.174 5.396 3.200 1.00 0.82 N ATOM 1737 CA LYS A 115 -14.881 6.026 4.269 1.00 0.92 C ATOM 1738 C LYS A 115 -14.466 5.499 5.634 1.00 1.06 C ATOM 1739 O LYS A 115 -14.570 4.301 5.921 1.00 1.21 O ATOM 1740 CB LYS A 115 -16.362 5.826 4.037 1.00 1.04 C ATOM 1741 CG LYS A 115 -16.856 6.455 2.735 1.00 1.05 C ATOM 1742 CD LYS A 115 -18.109 5.766 2.204 1.00 1.31 C ATOM 1743 CE LYS A 115 -17.771 4.675 1.194 1.00 1.23 C ATOM 1744 NZ LYS A 115 -18.993 4.008 0.666 1.00 1.56 N ATOM 0 H LYS A 115 -14.422 4.417 3.060 1.00 0.82 H new ATOM 0 HA LYS A 115 -14.637 7.088 4.274 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -16.580 4.758 4.023 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -16.915 6.254 4.873 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -17.066 7.512 2.900 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -16.067 6.401 1.985 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -18.665 5.332 3.035 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -18.760 6.505 1.736 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -17.208 5.108 0.367 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -17.127 3.932 1.664 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -18.720 3.273 -0.017 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -19.518 3.573 1.451 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -19.596 4.712 0.195 1.00 1.56 H new ATOM 1758 N LEU A 116 -13.988 6.423 6.458 1.00 1.10 N ATOM 1759 CA LEU A 116 -13.542 6.128 7.817 1.00 1.28 C ATOM 1760 C LEU A 116 -14.130 7.148 8.796 1.00 1.19 C ATOM 1761 O LEU A 116 -14.572 8.224 8.379 1.00 1.19 O ATOM 1762 CB LEU A 116 -12.007 6.131 7.873 1.00 1.54 C ATOM 1763 CG LEU A 116 -11.341 4.749 7.950 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -11.179 4.141 6.561 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -9.992 4.850 8.645 1.00 3.12 C ATOM 0 H LEU A 116 -13.898 7.406 6.202 1.00 1.10 H new ATOM 0 HA LEU A 116 -13.895 5.138 8.107 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -11.630 6.647 6.990 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -11.694 6.713 8.740 1.00 1.54 H new ATOM 0 HG LEU A 116 -11.988 4.093 8.533 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.705 3.163 6.645 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -12.158 4.031 6.096 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.558 4.794 5.948 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -9.532 3.863 8.692 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -9.344 5.526 8.086 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -10.131 5.234 9.656 1.00 3.12 H new ATOM 1777 N THR A 117 -14.131 6.813 10.091 1.00 1.15 N ATOM 1778 CA THR A 117 -14.674 7.713 11.115 1.00 1.08 C ATOM 1779 C THR A 117 -13.548 8.465 11.827 1.00 0.99 C ATOM 1780 O THR A 117 -12.370 8.130 11.667 1.00 0.98 O ATOM 1781 CB THR A 117 -15.539 6.961 12.161 1.00 1.04 C ATOM 1782 OG1 THR A 117 -15.928 5.672 11.667 1.00 1.34 O ATOM 1783 CG2 THR A 117 -16.788 7.763 12.503 1.00 1.40 C ATOM 0 H THR A 117 -13.765 5.932 10.453 1.00 1.15 H new ATOM 0 HA THR A 117 -15.317 8.424 10.597 1.00 1.08 H new ATOM 0 HB THR A 117 -14.935 6.834 13.059 1.00 1.04 H new ATOM 0 HG1 THR A 117 -16.471 5.213 12.342 1.00 1.34 H new ATOM 0 HG21 THR A 117 -17.380 7.218 13.238 1.00 1.40 H new ATOM 0 HG22 THR A 117 -16.498 8.730 12.915 1.00 1.40 H new ATOM 0 HG23 THR A 117 -17.380 7.916 11.601 1.00 1.40 H new ATOM 1791 N ASP A 118 -13.923 9.485 12.618 1.00 1.00 N ATOM 1792 CA ASP A 118 -12.957 10.306 13.367 1.00 1.00 C ATOM 1793 C ASP A 118 -12.226 9.494 14.441 1.00 0.90 C ATOM 1794 O ASP A 118 -11.073 9.789 14.763 1.00 0.96 O ATOM 1795 CB ASP A 118 -13.661 11.503 14.012 1.00 1.07 C ATOM 1796 CG ASP A 118 -14.119 12.531 12.993 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -15.261 12.412 12.502 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -13.335 13.454 12.688 1.00 2.05 O ATOM 0 H ASP A 118 -14.895 9.762 12.755 1.00 1.00 H new ATOM 0 HA ASP A 118 -12.214 10.662 12.653 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -14.523 11.150 14.579 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -12.984 11.978 14.722 1.00 1.07 H new ATOM 1803 N GLU A 119 -12.906 8.471 14.986 1.00 0.82 N ATOM 1804 CA GLU A 119 -12.329 7.602 16.010 1.00 0.81 C ATOM 1805 C GLU A 119 -11.474 6.505 15.390 1.00 0.77 C ATOM 1806 O GLU A 119 -10.486 6.074 15.993 1.00 0.78 O ATOM 1807 CB GLU A 119 -13.419 6.993 16.898 1.00 0.89 C ATOM 1808 CG GLU A 119 -14.055 7.985 17.861 1.00 1.11 C ATOM 1809 CD GLU A 119 -15.122 7.350 18.731 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -16.301 7.348 18.319 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -14.778 6.853 19.824 1.00 2.07 O ATOM 0 H GLU A 119 -13.863 8.230 14.728 1.00 0.82 H new ATOM 0 HA GLU A 119 -11.685 8.221 16.635 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -14.197 6.569 16.263 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -12.990 6.170 17.470 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -13.281 8.415 18.497 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -14.495 8.806 17.294 1.00 1.11 H new ATOM 1818 N GLU A 120 -11.863 6.050 14.187 1.00 0.77 N ATOM 1819 CA GLU A 120 -11.116 5.052 13.442 1.00 0.80 C ATOM 1820 C GLU A 120 -9.732 5.583 13.174 1.00 0.80 C ATOM 1821 O GLU A 120 -8.727 4.919 13.439 1.00 0.81 O ATOM 1822 CB GLU A 120 -11.787 4.800 12.096 1.00 0.97 C ATOM 1823 CG GLU A 120 -13.211 4.260 12.178 1.00 1.21 C ATOM 1824 CD GLU A 120 -13.622 3.510 10.925 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -13.175 2.357 10.751 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -14.392 4.073 10.121 1.00 1.93 O ATOM 0 H GLU A 120 -12.707 6.371 13.713 1.00 0.77 H new ATOM 0 HA GLU A 120 -11.078 4.129 14.020 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -11.800 5.733 11.533 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -11.179 4.095 11.530 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -13.295 3.596 13.039 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -13.901 5.087 12.345 1.00 1.21 H new ATOM 1833 N VAL A 121 -9.712 6.813 12.652 1.00 0.84 N ATOM 1834 CA VAL A 121 -8.486 7.490 12.351 1.00 0.92 C ATOM 1835 C VAL A 121 -7.845 8.073 13.592 1.00 0.88 C ATOM 1836 O VAL A 121 -6.673 8.368 13.562 1.00 0.93 O ATOM 1837 CB VAL A 121 -8.606 8.590 11.276 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -8.830 7.999 9.900 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -9.645 9.647 11.636 1.00 2.24 C ATOM 0 H VAL A 121 -10.551 7.350 12.434 1.00 0.84 H new ATOM 0 HA VAL A 121 -7.849 6.709 11.935 1.00 0.92 H new ATOM 0 HB VAL A 121 -7.650 9.112 11.245 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -8.910 8.802 9.168 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -7.991 7.353 9.640 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -9.751 7.415 9.900 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -9.689 10.397 10.847 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -10.622 9.175 11.744 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -9.367 10.125 12.575 1.00 2.24 H new ATOM 1849 N ASP A 122 -8.611 8.254 14.682 1.00 0.86 N ATOM 1850 CA ASP A 122 -8.023 8.782 15.918 1.00 0.95 C ATOM 1851 C ASP A 122 -7.026 7.766 16.462 1.00 0.84 C ATOM 1852 O ASP A 122 -6.062 8.112 17.151 1.00 0.89 O ATOM 1853 CB ASP A 122 -9.102 9.123 16.955 1.00 1.08 C ATOM 1854 CG ASP A 122 -8.604 10.058 18.045 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -8.117 9.556 19.080 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -8.701 11.289 17.862 1.00 1.76 O ATOM 0 H ASP A 122 -9.609 8.049 14.731 1.00 0.86 H new ATOM 0 HA ASP A 122 -7.502 9.714 15.698 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -9.951 9.583 16.450 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -9.463 8.202 17.412 1.00 1.08 H new ATOM 1861 N GLU A 123 -7.301 6.508 16.130 1.00 0.75 N ATOM 1862 CA GLU A 123 -6.451 5.396 16.472 1.00 0.73 C ATOM 1863 C GLU A 123 -5.401 5.204 15.392 1.00 0.65 C ATOM 1864 O GLU A 123 -4.223 5.044 15.702 1.00 0.65 O ATOM 1865 CB GLU A 123 -7.277 4.120 16.677 1.00 0.78 C ATOM 1866 CG GLU A 123 -7.915 4.022 18.054 1.00 0.92 C ATOM 1867 CD GLU A 123 -8.716 2.748 18.236 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -9.926 2.758 17.925 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -8.134 1.741 18.690 1.00 1.87 O ATOM 0 H GLU A 123 -8.135 6.239 15.608 1.00 0.75 H new ATOM 0 HA GLU A 123 -5.946 5.612 17.414 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -8.060 4.078 15.919 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -6.635 3.253 16.521 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -7.136 4.069 18.815 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -8.566 4.882 18.211 1.00 0.92 H new ATOM 1876 N MET A 124 -5.834 5.249 14.117 1.00 0.63 N ATOM 1877 CA MET A 124 -4.908 5.130 12.983 1.00 0.64 C ATOM 1878 C MET A 124 -4.029 6.371 12.923 1.00 0.64 C ATOM 1879 O MET A 124 -2.940 6.350 12.343 1.00 0.67 O ATOM 1880 CB MET A 124 -5.628 4.933 11.639 1.00 0.70 C ATOM 1881 CG MET A 124 -6.619 3.777 11.614 1.00 1.18 C ATOM 1882 SD MET A 124 -7.259 3.447 9.961 1.00 2.12 S ATOM 1883 CE MET A 124 -8.349 2.065 10.289 1.00 2.40 C ATOM 0 H MET A 124 -6.812 5.366 13.852 1.00 0.63 H new ATOM 0 HA MET A 124 -4.303 4.238 13.147 1.00 0.64 H new ATOM 0 HB2 MET A 124 -6.156 5.853 11.387 1.00 0.70 H new ATOM 0 HB3 MET A 124 -4.881 4.771 10.862 1.00 0.70 H new ATOM 0 HG2 MET A 124 -6.134 2.879 11.998 1.00 1.18 H new ATOM 0 HG3 MET A 124 -7.450 4.001 12.283 1.00 1.18 H new ATOM 0 HE1 MET A 124 -8.862 1.780 9.370 1.00 2.40 H new ATOM 0 HE2 MET A 124 -7.766 1.221 10.656 1.00 2.40 H new ATOM 0 HE3 MET A 124 -9.084 2.352 11.041 1.00 2.40 H new ATOM 1893 N ILE A 125 -4.530 7.457 13.540 1.00 0.65 N ATOM 1894 CA ILE A 125 -3.809 8.712 13.618 1.00 0.70 C ATOM 1895 C ILE A 125 -2.765 8.607 14.735 1.00 0.66 C ATOM 1896 O ILE A 125 -1.647 9.114 14.606 1.00 0.68 O ATOM 1897 CB ILE A 125 -4.768 9.919 13.900 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -4.370 11.142 13.065 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -4.810 10.285 15.386 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -4.986 11.171 11.680 1.00 0.70 C ATOM 0 H ILE A 125 -5.444 7.475 13.993 1.00 0.65 H new ATOM 0 HA ILE A 125 -3.328 8.896 12.657 1.00 0.70 H new ATOM 0 HB ILE A 125 -5.769 9.603 13.608 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -4.663 12.045 13.600 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -3.284 11.166 12.969 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -5.487 11.126 15.535 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -5.163 9.429 15.962 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -3.810 10.560 15.721 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -4.656 12.066 11.154 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -4.673 10.287 11.124 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -6.073 11.180 11.765 1.00 0.70 H new ATOM 1912 N ARG A 126 -3.167 7.930 15.841 1.00 0.65 N ATOM 1913 CA ARG A 126 -2.295 7.765 16.997 1.00 0.68 C ATOM 1914 C ARG A 126 -1.351 6.598 16.867 1.00 0.64 C ATOM 1915 O ARG A 126 -0.407 6.440 17.648 1.00 0.69 O ATOM 1916 CB ARG A 126 -3.080 7.715 18.311 1.00 0.76 C ATOM 1917 CG ARG A 126 -3.618 9.065 18.758 1.00 1.02 C ATOM 1918 CD ARG A 126 -4.321 8.967 20.103 1.00 1.07 C ATOM 1919 NE ARG A 126 -4.830 10.267 20.555 1.00 1.63 N ATOM 1920 CZ ARG A 126 -5.257 10.531 21.799 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -5.248 9.592 22.744 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -5.698 11.745 22.096 1.00 2.58 N ATOM 0 H ARG A 126 -4.086 7.498 15.941 1.00 0.65 H new ATOM 0 HA ARG A 126 -1.671 8.659 17.025 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -3.913 7.022 18.199 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -2.435 7.315 19.093 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -2.798 9.780 18.826 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -4.313 9.447 18.010 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -5.148 8.260 20.029 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -3.628 8.571 20.846 1.00 1.07 H new ATOM 0 HE ARG A 126 -4.861 11.025 19.874 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -4.912 8.653 22.527 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -5.577 9.812 23.684 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -5.711 12.472 21.381 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -6.024 11.952 23.040 1.00 2.58 H new ATOM 1936 N GLU A 127 -1.627 5.801 15.870 1.00 0.59 N ATOM 1937 CA GLU A 127 -0.806 4.640 15.529 1.00 0.59 C ATOM 1938 C GLU A 127 0.485 5.121 14.858 1.00 0.59 C ATOM 1939 O GLU A 127 1.374 4.324 14.537 1.00 0.63 O ATOM 1940 CB GLU A 127 -1.562 3.701 14.585 1.00 0.61 C ATOM 1941 CG GLU A 127 -2.500 2.729 15.289 1.00 0.66 C ATOM 1942 CD GLU A 127 -3.282 1.869 14.316 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -4.506 2.082 14.186 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -2.671 0.984 13.680 1.00 2.06 O ATOM 0 H GLU A 127 -2.433 5.929 15.258 1.00 0.59 H new ATOM 0 HA GLU A 127 -0.570 4.091 16.441 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -2.140 4.300 13.881 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -0.839 3.132 14.001 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -1.921 2.087 15.952 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -3.196 3.289 15.914 1.00 0.66 H new ATOM 1951 N ALA A 128 0.567 6.454 14.668 1.00 0.59 N ATOM 1952 CA ALA A 128 1.715 7.084 14.018 1.00 0.64 C ATOM 1953 C ALA A 128 2.197 8.343 14.757 1.00 0.63 C ATOM 1954 O ALA A 128 3.069 9.058 14.245 1.00 0.65 O ATOM 1955 CB ALA A 128 1.374 7.418 12.568 1.00 0.72 C ATOM 0 H ALA A 128 -0.157 7.111 14.960 1.00 0.59 H new ATOM 0 HA ALA A 128 2.536 6.367 14.047 1.00 0.64 H new ATOM 0 HB1 ALA A 128 2.234 7.887 12.091 1.00 0.72 H new ATOM 0 HB2 ALA A 128 1.117 6.503 12.035 1.00 0.72 H new ATOM 0 HB3 ALA A 128 0.527 8.103 12.542 1.00 0.72 H new ATOM 1961 N ALA A 129 1.644 8.619 15.963 1.00 0.67 N ATOM 1962 CA ALA A 129 2.051 9.799 16.753 1.00 0.72 C ATOM 1963 C ALA A 129 3.560 9.804 17.016 1.00 0.77 C ATOM 1964 O ALA A 129 4.082 8.966 17.761 1.00 0.86 O ATOM 1965 CB ALA A 129 1.287 9.877 18.072 1.00 0.83 C ATOM 0 H ALA A 129 0.924 8.046 16.403 1.00 0.67 H new ATOM 0 HA ALA A 129 1.804 10.680 16.160 1.00 0.72 H new ATOM 0 HB1 ALA A 129 1.611 10.757 18.628 1.00 0.83 H new ATOM 0 HB2 ALA A 129 0.218 9.948 17.870 1.00 0.83 H new ATOM 0 HB3 ALA A 129 1.486 8.982 18.661 1.00 0.83 H new ATOM 1971 N ILE A 130 4.242 10.751 16.374 1.00 0.77 N ATOM 1972 CA ILE A 130 5.691 10.894 16.501 1.00 0.87 C ATOM 1973 C ILE A 130 6.040 12.131 17.293 1.00 1.01 C ATOM 1974 O ILE A 130 5.483 13.209 17.076 1.00 1.27 O ATOM 1975 CB ILE A 130 6.410 10.881 15.117 1.00 0.91 C ATOM 1976 CG1 ILE A 130 7.845 11.441 15.166 1.00 1.07 C ATOM 1977 CG2 ILE A 130 5.599 11.617 14.048 1.00 1.28 C ATOM 1978 CD1 ILE A 130 8.888 10.408 15.537 1.00 1.57 C ATOM 0 H ILE A 130 3.809 11.437 15.755 1.00 0.77 H new ATOM 0 HA ILE A 130 6.056 10.025 17.049 1.00 0.87 H new ATOM 0 HB ILE A 130 6.484 9.828 14.845 1.00 0.91 H new ATOM 0 HG12 ILE A 130 8.094 11.863 14.193 1.00 1.07 H new ATOM 0 HG13 ILE A 130 7.883 12.258 15.887 1.00 1.07 H new ATOM 0 HG21 ILE A 130 6.134 11.585 13.099 1.00 1.28 H new ATOM 0 HG22 ILE A 130 4.628 11.136 13.933 1.00 1.28 H new ATOM 0 HG23 ILE A 130 5.457 12.655 14.350 1.00 1.28 H new ATOM 0 HD11 ILE A 130 9.873 10.874 15.551 1.00 1.57 H new ATOM 0 HD12 ILE A 130 8.664 10.003 16.524 1.00 1.57 H new ATOM 0 HD13 ILE A 130 8.879 9.602 14.803 1.00 1.57 H new ATOM 1990 N ASP A 131 7.035 11.944 18.166 1.00 1.22 N ATOM 1991 CA ASP A 131 7.545 12.978 19.107 1.00 1.45 C ATOM 1992 C ASP A 131 6.438 13.576 20.001 1.00 1.44 C ATOM 1993 O ASP A 131 6.676 13.933 21.159 1.00 1.64 O ATOM 1994 CB ASP A 131 8.268 14.085 18.332 1.00 1.64 C ATOM 1995 CG ASP A 131 9.290 14.834 19.171 1.00 2.27 C ATOM 1996 OD1 ASP A 131 10.460 14.399 19.210 1.00 2.70 O ATOM 1997 OD2 ASP A 131 8.918 15.855 19.788 1.00 2.90 O ATOM 0 H ASP A 131 7.527 11.054 18.249 1.00 1.22 H new ATOM 0 HA ASP A 131 8.249 12.482 19.775 1.00 1.45 H new ATOM 0 HB2 ASP A 131 8.768 13.648 17.468 1.00 1.64 H new ATOM 0 HB3 ASP A 131 7.532 14.793 17.950 1.00 1.64 H new ATOM 2002 N GLY A 132 5.248 13.664 19.428 1.00 1.31 N ATOM 2003 CA GLY A 132 4.074 14.203 20.093 1.00 1.35 C ATOM 2004 C GLY A 132 3.320 15.185 19.206 1.00 1.46 C ATOM 2005 O GLY A 132 2.331 15.782 19.639 1.00 1.75 O ATOM 0 H GLY A 132 5.069 13.358 18.472 1.00 1.31 H new ATOM 0 HA2 GLY A 132 3.410 13.386 20.376 1.00 1.35 H new ATOM 0 HA3 GLY A 132 4.376 14.703 21.014 1.00 1.35 H new ATOM 2009 N ASP A 133 3.799 15.345 17.959 1.00 1.34 N ATOM 2010 CA ASP A 133 3.176 16.240 16.979 1.00 1.49 C ATOM 2011 C ASP A 133 2.148 15.469 16.147 1.00 1.37 C ATOM 2012 O ASP A 133 0.974 15.850 16.105 1.00 1.69 O ATOM 2013 CB ASP A 133 4.238 16.881 16.073 1.00 1.52 C ATOM 2014 CG ASP A 133 5.110 17.880 16.812 1.00 1.94 C ATOM 2015 OD1 ASP A 133 4.747 19.074 16.845 1.00 2.14 O ATOM 2016 OD2 ASP A 133 6.156 17.466 17.356 1.00 2.60 O ATOM 0 H ASP A 133 4.624 14.859 17.608 1.00 1.34 H new ATOM 0 HA ASP A 133 2.665 17.041 17.513 1.00 1.49 H new ATOM 0 HB2 ASP A 133 4.868 16.099 15.648 1.00 1.52 H new ATOM 0 HB3 ASP A 133 3.745 17.381 15.239 1.00 1.52 H new ATOM 2021 N GLY A 134 2.598 14.388 15.488 1.00 1.04 N ATOM 2022 CA GLY A 134 1.693 13.561 14.703 1.00 1.15 C ATOM 2023 C GLY A 134 1.783 13.746 13.198 1.00 1.03 C ATOM 2024 O GLY A 134 0.770 13.610 12.515 1.00 1.25 O ATOM 0 H GLY A 134 3.570 14.077 15.488 1.00 1.04 H new ATOM 0 HA2 GLY A 134 1.890 12.515 14.936 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.671 13.771 15.018 1.00 1.15 H new ATOM 2028 N GLN A 135 2.956 14.114 12.680 1.00 0.84 N ATOM 2029 CA GLN A 135 3.129 14.270 11.230 1.00 0.77 C ATOM 2030 C GLN A 135 4.289 13.389 10.727 1.00 0.74 C ATOM 2031 O GLN A 135 5.250 13.161 11.465 1.00 0.80 O ATOM 2032 CB GLN A 135 3.353 15.732 10.844 1.00 0.80 C ATOM 2033 CG GLN A 135 2.198 16.681 11.141 1.00 1.03 C ATOM 2034 CD GLN A 135 2.261 17.271 12.536 1.00 1.40 C ATOM 2035 OE1 GLN A 135 1.691 16.725 13.479 1.00 2.05 O ATOM 2036 NE2 GLN A 135 2.957 18.393 12.673 1.00 1.98 N ATOM 0 H GLN A 135 3.792 14.308 13.232 1.00 0.84 H new ATOM 0 HA GLN A 135 2.208 13.942 10.749 1.00 0.77 H new ATOM 0 HB2 GLN A 135 4.239 16.094 11.365 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.570 15.777 9.777 1.00 0.80 H new ATOM 0 HG2 GLN A 135 2.202 17.489 10.410 1.00 1.03 H new ATOM 0 HG3 GLN A 135 1.256 16.147 11.020 1.00 1.03 H new ATOM 0 HE21 GLN A 135 3.414 18.812 11.863 1.00 1.98 H new ATOM 0 HE22 GLN A 135 3.035 18.836 13.588 1.00 1.98 H new ATOM 2045 N VAL A 136 4.204 12.905 9.463 1.00 0.69 N ATOM 2046 CA VAL A 136 5.242 12.002 8.899 1.00 0.68 C ATOM 2047 C VAL A 136 5.467 12.136 7.365 1.00 0.64 C ATOM 2048 O VAL A 136 4.604 11.767 6.566 1.00 0.67 O ATOM 2049 CB VAL A 136 4.913 10.509 9.216 1.00 0.75 C ATOM 2050 CG1 VAL A 136 5.322 10.156 10.637 1.00 0.91 C ATOM 2051 CG2 VAL A 136 3.426 10.197 9.003 1.00 0.88 C ATOM 0 H VAL A 136 3.440 13.120 8.822 1.00 0.69 H new ATOM 0 HA VAL A 136 6.164 12.319 9.386 1.00 0.68 H new ATOM 0 HB VAL A 136 5.488 9.898 8.520 1.00 0.75 H new ATOM 0 HG11 VAL A 136 5.083 9.111 10.835 1.00 0.91 H new ATOM 0 HG12 VAL A 136 6.394 10.312 10.756 1.00 0.91 H new ATOM 0 HG13 VAL A 136 4.782 10.791 11.339 1.00 0.91 H new ATOM 0 HG21 VAL A 136 3.237 9.149 9.234 1.00 0.88 H new ATOM 0 HG22 VAL A 136 2.825 10.827 9.659 1.00 0.88 H new ATOM 0 HG23 VAL A 136 3.158 10.394 7.965 1.00 0.88 H new ATOM 2061 N ASN A 137 6.645 12.680 6.984 1.00 0.63 N ATOM 2062 CA ASN A 137 7.084 12.839 5.585 1.00 0.62 C ATOM 2063 C ASN A 137 7.661 11.512 5.018 1.00 0.59 C ATOM 2064 O ASN A 137 7.477 10.442 5.603 1.00 0.59 O ATOM 2065 CB ASN A 137 8.164 13.942 5.547 1.00 0.66 C ATOM 2066 CG ASN A 137 8.343 14.621 4.200 1.00 0.80 C ATOM 2067 OD1 ASN A 137 8.091 14.039 3.145 1.00 1.18 O ATOM 2068 ND2 ASN A 137 8.802 15.867 4.237 1.00 1.45 N ATOM 0 H ASN A 137 7.329 13.027 7.657 1.00 0.63 H new ATOM 0 HA ASN A 137 6.229 13.113 4.967 1.00 0.62 H new ATOM 0 HB2 ASN A 137 7.913 14.700 6.289 1.00 0.66 H new ATOM 0 HB3 ASN A 137 9.117 13.506 5.847 1.00 0.66 H new ATOM 0 HD21 ASN A 137 8.959 16.379 3.369 1.00 1.45 H new ATOM 0 HD22 ASN A 137 8.998 16.312 5.134 1.00 1.45 H new ATOM 2075 N TYR A 138 8.354 11.623 3.862 1.00 0.62 N ATOM 2076 CA TYR A 138 9.014 10.513 3.134 1.00 0.66 C ATOM 2077 C TYR A 138 9.859 9.590 4.045 1.00 0.61 C ATOM 2078 O TYR A 138 10.136 8.446 3.671 1.00 0.67 O ATOM 2079 CB TYR A 138 9.874 11.158 2.011 1.00 0.75 C ATOM 2080 CG TYR A 138 10.942 10.299 1.343 1.00 1.21 C ATOM 2081 CD1 TYR A 138 12.180 10.090 1.946 1.00 1.93 C ATOM 2082 CD2 TYR A 138 10.722 9.734 0.094 1.00 2.03 C ATOM 2083 CE1 TYR A 138 13.160 9.341 1.326 1.00 2.59 C ATOM 2084 CE2 TYR A 138 11.698 8.981 -0.531 1.00 2.76 C ATOM 2085 CZ TYR A 138 12.914 8.787 0.089 1.00 2.81 C ATOM 2086 OH TYR A 138 13.888 8.040 -0.532 1.00 3.66 O ATOM 0 H TYR A 138 8.474 12.521 3.392 1.00 0.62 H new ATOM 0 HA TYR A 138 8.253 9.853 2.718 1.00 0.66 H new ATOM 0 HB2 TYR A 138 9.197 11.512 1.234 1.00 0.75 H new ATOM 0 HB3 TYR A 138 10.366 12.036 2.430 1.00 0.75 H new ATOM 0 HD1 TYR A 138 12.377 10.522 2.916 1.00 1.93 H new ATOM 0 HD2 TYR A 138 9.772 9.885 -0.397 1.00 2.03 H new ATOM 0 HE1 TYR A 138 14.115 9.190 1.808 1.00 2.59 H new ATOM 0 HE2 TYR A 138 11.509 8.546 -1.501 1.00 2.76 H new ATOM 0 HH TYR A 138 13.555 7.131 -0.685 1.00 3.66 H new ATOM 2096 N GLU A 139 10.260 10.089 5.226 1.00 0.57 N ATOM 2097 CA GLU A 139 11.076 9.314 6.177 1.00 0.60 C ATOM 2098 C GLU A 139 10.351 8.046 6.654 1.00 0.54 C ATOM 2099 O GLU A 139 10.909 6.947 6.578 1.00 0.57 O ATOM 2100 CB GLU A 139 11.472 10.184 7.379 1.00 0.68 C ATOM 2101 CG GLU A 139 12.533 11.227 7.060 1.00 0.89 C ATOM 2102 CD GLU A 139 12.907 12.066 8.266 1.00 1.36 C ATOM 2103 OE1 GLU A 139 12.268 13.118 8.479 1.00 2.24 O ATOM 2104 OE2 GLU A 139 13.837 11.671 8.999 1.00 1.61 O ATOM 0 H GLU A 139 10.031 11.030 5.546 1.00 0.57 H new ATOM 0 HA GLU A 139 11.978 9.000 5.651 1.00 0.60 H new ATOM 0 HB2 GLU A 139 10.583 10.688 7.759 1.00 0.68 H new ATOM 0 HB3 GLU A 139 11.839 9.539 8.177 1.00 0.68 H new ATOM 0 HG2 GLU A 139 13.424 10.728 6.678 1.00 0.89 H new ATOM 0 HG3 GLU A 139 12.169 11.880 6.267 1.00 0.89 H new ATOM 2111 N GLU A 140 9.113 8.210 7.144 1.00 0.51 N ATOM 2112 CA GLU A 140 8.307 7.080 7.626 1.00 0.52 C ATOM 2113 C GLU A 140 7.455 6.467 6.505 1.00 0.47 C ATOM 2114 O GLU A 140 6.979 5.336 6.636 1.00 0.49 O ATOM 2115 CB GLU A 140 7.412 7.518 8.789 1.00 0.59 C ATOM 2116 CG GLU A 140 7.205 6.438 9.844 1.00 1.02 C ATOM 2117 CD GLU A 140 6.288 6.884 10.965 1.00 1.31 C ATOM 2118 OE1 GLU A 140 5.057 6.723 10.825 1.00 1.91 O ATOM 2119 OE2 GLU A 140 6.800 7.392 11.985 1.00 2.02 O ATOM 0 H GLU A 140 8.649 9.115 7.217 1.00 0.51 H new ATOM 0 HA GLU A 140 8.998 6.313 7.975 1.00 0.52 H new ATOM 0 HB2 GLU A 140 7.851 8.396 9.262 1.00 0.59 H new ATOM 0 HB3 GLU A 140 6.441 7.819 8.395 1.00 0.59 H new ATOM 0 HG2 GLU A 140 6.788 5.549 9.371 1.00 1.02 H new ATOM 0 HG3 GLU A 140 8.171 6.154 10.262 1.00 1.02 H new ATOM 2126 N PHE A 141 7.267 7.221 5.407 1.00 0.45 N ATOM 2127 CA PHE A 141 6.477 6.757 4.255 1.00 0.43 C ATOM 2128 C PHE A 141 7.234 5.696 3.456 1.00 0.41 C ATOM 2129 O PHE A 141 6.644 4.712 3.002 1.00 0.44 O ATOM 2130 CB PHE A 141 6.112 7.938 3.354 1.00 0.45 C ATOM 2131 CG PHE A 141 4.629 8.132 3.159 1.00 0.69 C ATOM 2132 CD1 PHE A 141 3.825 8.589 4.198 1.00 1.33 C ATOM 2133 CD2 PHE A 141 4.038 7.861 1.935 1.00 1.55 C ATOM 2134 CE1 PHE A 141 2.468 8.768 4.016 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.681 8.040 1.750 1.00 1.88 C ATOM 2136 CZ PHE A 141 1.895 8.493 2.791 1.00 1.54 C ATOM 0 H PHE A 141 7.654 8.158 5.294 1.00 0.45 H new ATOM 0 HA PHE A 141 5.562 6.303 4.635 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.533 8.849 3.779 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.580 7.795 2.380 1.00 0.45 H new ATOM 0 HD1 PHE A 141 4.268 8.806 5.159 1.00 1.33 H new ATOM 0 HD2 PHE A 141 4.646 7.506 1.116 1.00 1.55 H new ATOM 0 HE1 PHE A 141 1.856 9.123 4.832 1.00 1.59 H new ATOM 0 HE2 PHE A 141 2.234 7.825 0.790 1.00 1.88 H new ATOM 0 HZ PHE A 141 0.834 8.632 2.647 1.00 1.54 H new ATOM 2146 N VAL A 142 8.547 5.914 3.292 1.00 0.42 N ATOM 2147 CA VAL A 142 9.423 4.972 2.592 1.00 0.44 C ATOM 2148 C VAL A 142 9.789 3.834 3.519 1.00 0.46 C ATOM 2149 O VAL A 142 9.828 2.682 3.099 1.00 0.48 O ATOM 2150 CB VAL A 142 10.705 5.665 2.088 1.00 0.48 C ATOM 2151 CG1 VAL A 142 11.954 4.800 2.290 1.00 0.53 C ATOM 2152 CG2 VAL A 142 10.559 6.086 0.625 1.00 0.50 C ATOM 0 H VAL A 142 9.026 6.744 3.640 1.00 0.42 H new ATOM 0 HA VAL A 142 8.885 4.586 1.726 1.00 0.44 H new ATOM 0 HB VAL A 142 10.841 6.562 2.693 1.00 0.48 H new ATOM 0 HG11 VAL A 142 12.830 5.333 1.919 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.081 4.587 3.351 1.00 0.53 H new ATOM 0 HG13 VAL A 142 11.840 3.864 1.743 1.00 0.53 H new ATOM 0 HG21 VAL A 142 11.476 6.572 0.293 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.372 5.206 0.010 1.00 0.50 H new ATOM 0 HG23 VAL A 142 9.724 6.780 0.528 1.00 0.50 H new ATOM 2162 N GLN A 143 10.065 4.183 4.786 1.00 0.49 N ATOM 2163 CA GLN A 143 10.412 3.208 5.806 1.00 0.54 C ATOM 2164 C GLN A 143 9.261 2.220 5.975 1.00 0.52 C ATOM 2165 O GLN A 143 9.462 1.056 6.328 1.00 0.57 O ATOM 2166 CB GLN A 143 10.718 3.925 7.115 1.00 0.59 C ATOM 2167 CG GLN A 143 11.672 3.174 8.036 1.00 0.64 C ATOM 2168 CD GLN A 143 11.944 3.920 9.327 1.00 0.89 C ATOM 2169 OE1 GLN A 143 12.878 4.717 9.413 1.00 1.62 O ATOM 2170 NE2 GLN A 143 11.126 3.663 10.342 1.00 1.55 N ATOM 0 H GLN A 143 10.051 5.147 5.120 1.00 0.49 H new ATOM 0 HA GLN A 143 11.301 2.653 5.505 1.00 0.54 H new ATOM 0 HB2 GLN A 143 11.145 4.902 6.889 1.00 0.59 H new ATOM 0 HB3 GLN A 143 9.783 4.101 7.646 1.00 0.59 H new ATOM 0 HG2 GLN A 143 11.252 2.195 8.268 1.00 0.64 H new ATOM 0 HG3 GLN A 143 12.614 3.002 7.515 1.00 0.64 H new ATOM 0 HE21 GLN A 143 10.364 2.995 10.226 1.00 1.55 H new ATOM 0 HE22 GLN A 143 11.260 4.134 11.237 1.00 1.55 H new ATOM 2179 N MET A 144 8.049 2.730 5.708 1.00 0.49 N ATOM 2180 CA MET A 144 6.830 1.940 5.715 1.00 0.49 C ATOM 2181 C MET A 144 6.957 0.846 4.648 1.00 0.51 C ATOM 2182 O MET A 144 6.441 -0.263 4.809 1.00 0.58 O ATOM 2183 CB MET A 144 5.631 2.855 5.401 1.00 0.52 C ATOM 2184 CG MET A 144 4.262 2.272 5.752 1.00 0.93 C ATOM 2185 SD MET A 144 4.022 2.036 7.530 1.00 2.33 S ATOM 2186 CE MET A 144 3.923 3.728 8.122 1.00 3.20 C ATOM 0 H MET A 144 7.897 3.713 5.480 1.00 0.49 H new ATOM 0 HA MET A 144 6.675 1.482 6.692 1.00 0.49 H new ATOM 0 HB2 MET A 144 5.758 3.793 5.941 1.00 0.52 H new ATOM 0 HB3 MET A 144 5.645 3.095 4.338 1.00 0.52 H new ATOM 0 HG2 MET A 144 3.484 2.934 5.372 1.00 0.93 H new ATOM 0 HG3 MET A 144 4.141 1.314 5.245 1.00 0.93 H new ATOM 0 HE1 MET A 144 3.215 3.783 8.949 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.906 4.052 8.464 1.00 3.20 H new ATOM 0 HE3 MET A 144 3.588 4.377 7.313 1.00 3.20 H new ATOM 2196 N MET A 145 7.661 1.199 3.553 1.00 0.49 N ATOM 2197 CA MET A 145 7.893 0.279 2.444 1.00 0.56 C ATOM 2198 C MET A 145 9.207 -0.509 2.612 1.00 0.62 C ATOM 2199 O MET A 145 9.244 -1.708 2.318 1.00 0.75 O ATOM 2200 CB MET A 145 7.897 1.056 1.121 1.00 0.58 C ATOM 2201 CG MET A 145 7.574 0.222 -0.125 1.00 1.52 C ATOM 2202 SD MET A 145 8.744 -1.118 -0.428 1.00 2.50 S ATOM 2203 CE MET A 145 8.180 -1.705 -2.024 1.00 3.22 C ATOM 0 H MET A 145 8.076 2.121 3.422 1.00 0.49 H new ATOM 0 HA MET A 145 7.082 -0.450 2.436 1.00 0.56 H new ATOM 0 HB2 MET A 145 7.174 1.868 1.193 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.878 1.513 0.989 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.574 -0.198 -0.020 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.554 0.878 -0.995 1.00 1.52 H new ATOM 0 HE1 MET A 145 8.140 -2.794 -2.018 1.00 3.22 H new ATOM 0 HE2 MET A 145 7.186 -1.307 -2.228 1.00 3.22 H new ATOM 0 HE3 MET A 145 8.870 -1.372 -2.799 1.00 3.22 H new ATOM 2213 N THR A 146 10.278 0.156 3.101 1.00 0.59 N ATOM 2214 CA THR A 146 11.587 -0.481 3.250 1.00 0.68 C ATOM 2215 C THR A 146 11.624 -1.530 4.369 1.00 0.78 C ATOM 2216 O THR A 146 12.423 -2.469 4.318 1.00 0.89 O ATOM 2217 CB THR A 146 12.702 0.550 3.519 1.00 0.69 C ATOM 2218 OG1 THR A 146 12.152 1.827 3.853 1.00 0.63 O ATOM 2219 CG2 THR A 146 13.616 0.695 2.312 1.00 0.71 C ATOM 0 H THR A 146 10.252 1.132 3.396 1.00 0.59 H new ATOM 0 HA THR A 146 11.762 -0.980 2.297 1.00 0.68 H new ATOM 0 HB THR A 146 13.285 0.182 4.364 1.00 0.69 H new ATOM 0 HG1 THR A 146 12.879 2.463 4.020 1.00 0.63 H new ATOM 0 HG21 THR A 146 14.393 1.428 2.530 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.077 -0.267 2.087 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.034 1.028 1.453 1.00 0.71 H new ATOM 2227 N ALA A 147 10.755 -1.357 5.372 1.00 0.77 N ATOM 2228 CA ALA A 147 10.666 -2.273 6.500 1.00 0.88 C ATOM 2229 C ALA A 147 9.668 -3.397 6.233 1.00 0.94 C ATOM 2230 O ALA A 147 8.633 -3.178 5.596 1.00 0.91 O ATOM 2231 CB ALA A 147 10.288 -1.519 7.766 1.00 0.90 C ATOM 0 H ALA A 147 10.098 -0.578 5.419 1.00 0.77 H new ATOM 0 HA ALA A 147 11.648 -2.727 6.637 1.00 0.88 H new ATOM 0 HB1 ALA A 147 10.225 -2.217 8.600 1.00 0.90 H new ATOM 0 HB2 ALA A 147 11.045 -0.765 7.980 1.00 0.90 H new ATOM 0 HB3 ALA A 147 9.322 -1.034 7.626 1.00 0.90 H new ATOM 2237 N LYS A 148 9.993 -4.596 6.726 1.00 1.08 N ATOM 2238 CA LYS A 148 9.137 -5.771 6.551 1.00 1.19 C ATOM 2239 C LYS A 148 8.319 -6.041 7.814 1.00 1.63 C ATOM 2240 O LYS A 148 8.929 -6.273 8.882 1.00 2.21 O ATOM 2241 CB LYS A 148 9.981 -7.007 6.189 1.00 1.53 C ATOM 2242 CG LYS A 148 10.562 -6.980 4.776 1.00 2.17 C ATOM 2243 CD LYS A 148 11.890 -6.235 4.721 1.00 2.29 C ATOM 2244 CE LYS A 148 12.463 -6.220 3.313 1.00 3.11 C ATOM 2245 NZ LYS A 148 13.759 -5.489 3.248 1.00 3.56 N ATOM 2246 OXT LYS A 148 7.074 -6.016 7.725 1.00 2.14 O ATOM 0 H LYS A 148 10.848 -4.778 7.252 1.00 1.08 H new ATOM 0 HA LYS A 148 8.448 -5.567 5.732 1.00 1.19 H new ATOM 0 HB2 LYS A 148 10.799 -7.096 6.904 1.00 1.53 H new ATOM 0 HB3 LYS A 148 9.364 -7.899 6.298 1.00 1.53 H new ATOM 0 HG2 LYS A 148 10.704 -8.001 4.422 1.00 2.17 H new ATOM 0 HG3 LYS A 148 9.851 -6.505 4.100 1.00 2.17 H new ATOM 0 HD2 LYS A 148 11.749 -5.212 5.068 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.601 -6.706 5.399 1.00 2.29 H new ATOM 0 HE2 LYS A 148 12.606 -7.244 2.969 1.00 3.11 H new ATOM 0 HE3 LYS A 148 11.748 -5.753 2.635 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 14.116 -5.502 2.271 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 13.618 -4.505 3.552 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 14.449 -5.950 3.875 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 26.760 8.284 23.077 1.00 0.00 N ATOM 2262 CA ALA B 503 26.374 9.047 21.860 1.00 0.00 C ATOM 2263 C ALA B 503 24.960 9.617 21.984 1.00 0.00 C ATOM 2264 O ALA B 503 24.716 10.766 21.604 1.00 0.00 O ATOM 2265 CB ALA B 503 26.484 8.161 20.626 1.00 0.00 C ATOM 0 HA ALA B 503 27.062 9.886 21.756 1.00 0.00 H new ATOM 0 HB1 ALA B 503 26.199 8.731 19.742 1.00 0.00 H new ATOM 0 HB2 ALA B 503 27.512 7.814 20.518 1.00 0.00 H new ATOM 0 HB3 ALA B 503 25.821 7.303 20.734 1.00 0.00 H new ATOM 2273 N GLY B 504 24.038 8.804 22.519 1.00 0.00 N ATOM 2274 CA GLY B 504 22.657 9.232 22.690 1.00 0.00 C ATOM 2275 C GLY B 504 21.667 8.111 22.438 1.00 0.00 C ATOM 2276 O GLY B 504 21.393 7.769 21.284 1.00 0.00 O ATOM 0 H GLY B 504 24.229 7.854 22.837 1.00 0.00 H new ATOM 0 HA2 GLY B 504 22.520 9.612 23.702 1.00 0.00 H new ATOM 0 HA3 GLY B 504 22.448 10.057 22.009 1.00 0.00 H new ATOM 2280 N HIS B 505 21.134 7.545 23.524 1.00 0.00 N ATOM 2281 CA HIS B 505 20.163 6.452 23.439 1.00 0.00 C ATOM 2282 C HIS B 505 18.747 6.961 23.693 1.00 0.00 C ATOM 2283 O HIS B 505 18.548 7.901 24.469 1.00 0.00 O ATOM 2284 CB HIS B 505 20.508 5.348 24.444 1.00 0.00 C ATOM 2285 CG HIS B 505 21.753 4.587 24.102 1.00 0.00 C ATOM 2286 ND1 HIS B 505 21.736 3.349 23.495 1.00 0.00 N ATOM 2287 CD2 HIS B 505 23.059 4.896 24.287 1.00 0.00 C ATOM 2288 CE1 HIS B 505 22.977 2.928 23.322 1.00 0.00 C ATOM 2289 NE2 HIS B 505 23.797 3.849 23.793 1.00 0.00 N ATOM 0 H HIS B 505 21.361 7.828 24.477 1.00 0.00 H new ATOM 0 HA HIS B 505 20.209 6.040 22.431 1.00 0.00 H new ATOM 0 HB2 HIS B 505 20.625 5.793 25.432 1.00 0.00 H new ATOM 0 HB3 HIS B 505 19.672 4.651 24.505 1.00 0.00 H new ATOM 0 HD2 HIS B 505 23.447 5.797 24.739 1.00 0.00 H new ATOM 0 HE1 HIS B 505 23.270 1.991 22.872 1.00 0.00 H new ATOM 0 HE2 HIS B 505 24.815 3.792 23.790 1.00 0.00 H new ATOM 2298 N MET B 506 17.773 6.329 23.032 1.00 0.00 N ATOM 2299 CA MET B 506 16.362 6.704 23.171 1.00 0.00 C ATOM 2300 C MET B 506 15.497 5.491 23.516 1.00 0.00 C ATOM 2301 O MET B 506 14.603 5.583 24.361 1.00 0.00 O ATOM 2302 CB MET B 506 15.851 7.364 21.885 1.00 0.00 C ATOM 2303 CG MET B 506 16.372 8.778 21.669 1.00 0.00 C ATOM 2304 SD MET B 506 15.747 9.523 20.150 1.00 0.00 S ATOM 2305 CE MET B 506 16.530 11.133 20.216 1.00 0.00 C ATOM 0 H MET B 506 17.937 5.552 22.392 1.00 0.00 H new ATOM 0 HA MET B 506 16.289 7.419 23.990 1.00 0.00 H new ATOM 0 HB2 MET B 506 16.138 6.747 21.033 1.00 0.00 H new ATOM 0 HB3 MET B 506 14.762 7.388 21.909 1.00 0.00 H new ATOM 0 HG2 MET B 506 16.088 9.400 22.518 1.00 0.00 H new ATOM 0 HG3 MET B 506 17.461 8.759 21.639 1.00 0.00 H new ATOM 0 HE1 MET B 506 16.240 11.715 19.341 1.00 0.00 H new ATOM 0 HE2 MET B 506 16.214 11.655 21.119 1.00 0.00 H new ATOM 0 HE3 MET B 506 17.613 11.011 20.228 1.00 0.00 H new ATOM 2315 N ARG B 507 15.775 4.347 22.851 1.00 0.00 N ATOM 2316 CA ARG B 507 15.039 3.075 23.056 1.00 0.00 C ATOM 2317 C ARG B 507 13.519 3.236 22.807 1.00 0.00 C ATOM 2318 O ARG B 507 12.805 3.758 23.672 1.00 0.00 O ATOM 2319 CB ARG B 507 15.293 2.496 24.469 1.00 0.00 C ATOM 2320 CG ARG B 507 16.713 1.980 24.691 1.00 0.00 C ATOM 2321 CD ARG B 507 16.875 0.539 24.222 1.00 0.00 C ATOM 2322 NE ARG B 507 18.240 0.043 24.430 1.00 0.00 N ATOM 2323 CZ ARG B 507 18.662 -1.190 24.113 1.00 0.00 C ATOM 2324 NH1 ARG B 507 17.836 -2.082 23.567 1.00 0.00 N ATOM 2325 NH2 ARG B 507 19.922 -1.530 24.346 1.00 0.00 N ATOM 0 H ARG B 507 16.517 4.278 22.155 1.00 0.00 H new ATOM 0 HA ARG B 507 15.425 2.370 22.319 1.00 0.00 H new ATOM 0 HB2 ARG B 507 15.080 3.268 25.209 1.00 0.00 H new ATOM 0 HB3 ARG B 507 14.591 1.681 24.647 1.00 0.00 H new ATOM 0 HG2 ARG B 507 17.418 2.617 24.157 1.00 0.00 H new ATOM 0 HG3 ARG B 507 16.962 2.047 25.750 1.00 0.00 H new ATOM 0 HD2 ARG B 507 16.172 -0.098 24.759 1.00 0.00 H new ATOM 0 HD3 ARG B 507 16.622 0.472 23.164 1.00 0.00 H new ATOM 0 HE ARG B 507 18.917 0.682 24.846 1.00 0.00 H new ATOM 0 HH11 ARG B 507 16.864 -1.832 23.383 1.00 0.00 H new ATOM 0 HH12 ARG B 507 18.175 -3.015 23.333 1.00 0.00 H new ATOM 0 HH21 ARG B 507 20.563 -0.856 24.764 1.00 0.00 H new ATOM 0 HH22 ARG B 507 20.250 -2.466 24.108 1.00 0.00 H new ATOM 2339 N PRO B 508 12.995 2.811 21.609 1.00 0.00 N ATOM 2340 CA PRO B 508 11.554 2.915 21.286 1.00 0.00 C ATOM 2341 C PRO B 508 10.690 1.954 22.105 1.00 0.00 C ATOM 2342 O PRO B 508 11.183 0.938 22.605 1.00 0.00 O ATOM 2343 CB PRO B 508 11.476 2.543 19.796 1.00 0.00 C ATOM 2344 CG PRO B 508 12.880 2.562 19.294 1.00 0.00 C ATOM 2345 CD PRO B 508 13.747 2.231 20.472 1.00 0.00 C ATOM 0 HA PRO B 508 11.175 3.911 21.514 1.00 0.00 H new ATOM 0 HB2 PRO B 508 11.027 1.559 19.663 1.00 0.00 H new ATOM 0 HB3 PRO B 508 10.856 3.253 19.248 1.00 0.00 H new ATOM 0 HG2 PRO B 508 13.017 1.836 18.493 1.00 0.00 H new ATOM 0 HG3 PRO B 508 13.135 3.540 18.885 1.00 0.00 H new ATOM 0 HD2 PRO B 508 13.883 1.155 20.584 1.00 0.00 H new ATOM 0 HD3 PRO B 508 14.740 2.670 20.379 1.00 0.00 H new ATOM 2353 N LYS B 509 9.403 2.290 22.231 1.00 0.00 N ATOM 2354 CA LYS B 509 8.449 1.472 22.985 1.00 0.00 C ATOM 2355 C LYS B 509 7.313 0.994 22.086 1.00 0.00 C ATOM 2356 O LYS B 509 6.940 1.678 21.128 1.00 0.00 O ATOM 2357 CB LYS B 509 7.878 2.263 24.167 1.00 0.00 C ATOM 2358 CG LYS B 509 8.867 2.470 25.306 1.00 0.00 C ATOM 2359 CD LYS B 509 8.252 3.276 26.438 1.00 0.00 C ATOM 2360 CE LYS B 509 9.242 3.491 27.571 1.00 0.00 C ATOM 2361 NZ LYS B 509 8.651 4.286 28.682 1.00 0.00 N ATOM 0 H LYS B 509 8.996 3.129 21.817 1.00 0.00 H new ATOM 0 HA LYS B 509 8.983 0.601 23.366 1.00 0.00 H new ATOM 0 HB2 LYS B 509 7.540 3.236 23.811 1.00 0.00 H new ATOM 0 HB3 LYS B 509 7.001 1.742 24.551 1.00 0.00 H new ATOM 0 HG2 LYS B 509 9.196 1.502 25.684 1.00 0.00 H new ATOM 0 HG3 LYS B 509 9.753 2.984 24.932 1.00 0.00 H new ATOM 0 HD2 LYS B 509 7.917 4.241 26.058 1.00 0.00 H new ATOM 0 HD3 LYS B 509 7.370 2.759 26.817 1.00 0.00 H new ATOM 0 HE2 LYS B 509 9.573 2.525 27.952 1.00 0.00 H new ATOM 0 HE3 LYS B 509 10.125 4.002 27.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 9.358 4.410 29.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 8.358 5.218 28.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 7.823 3.786 29.064 1.00 0.00 H new ATOM 2375 N ARG B 510 6.770 -0.185 22.407 1.00 0.00 N ATOM 2376 CA ARG B 510 5.672 -0.776 21.637 1.00 0.00 C ATOM 2377 C ARG B 510 4.382 -0.792 22.455 1.00 0.00 C ATOM 2378 O ARG B 510 4.336 -1.365 23.548 1.00 0.00 O ATOM 2379 CB ARG B 510 6.031 -2.199 21.192 1.00 0.00 C ATOM 2380 CG ARG B 510 7.083 -2.256 20.093 1.00 0.00 C ATOM 2381 CD ARG B 510 7.434 -3.690 19.732 1.00 0.00 C ATOM 2382 NE ARG B 510 8.468 -3.760 18.694 1.00 0.00 N ATOM 2383 CZ ARG B 510 9.100 -4.882 18.319 1.00 0.00 C ATOM 2384 NH1 ARG B 510 8.818 -6.053 18.886 1.00 0.00 N ATOM 2385 NH2 ARG B 510 10.021 -4.827 17.367 1.00 0.00 N ATOM 0 H ARG B 510 7.075 -0.751 23.199 1.00 0.00 H new ATOM 0 HA ARG B 510 5.512 -0.161 20.751 1.00 0.00 H new ATOM 0 HB2 ARG B 510 6.391 -2.759 22.055 1.00 0.00 H new ATOM 0 HB3 ARG B 510 5.127 -2.698 20.842 1.00 0.00 H new ATOM 0 HG2 ARG B 510 6.715 -1.737 19.208 1.00 0.00 H new ATOM 0 HG3 ARG B 510 7.981 -1.732 20.420 1.00 0.00 H new ATOM 0 HD2 ARG B 510 7.780 -4.214 20.623 1.00 0.00 H new ATOM 0 HD3 ARG B 510 6.538 -4.206 19.386 1.00 0.00 H new ATOM 0 HE ARG B 510 8.725 -2.892 18.223 1.00 0.00 H new ATOM 0 HH11 ARG B 510 8.111 -6.108 19.619 1.00 0.00 H new ATOM 0 HH12 ARG B 510 9.309 -6.896 18.587 1.00 0.00 H new ATOM 0 HH21 ARG B 510 10.245 -3.935 16.925 1.00 0.00 H new ATOM 0 HH22 ARG B 510 10.506 -5.676 17.077 1.00 0.00 H new ATOM 2399 N ARG B 511 3.340 -0.149 21.913 1.00 0.00 N ATOM 2400 CA ARG B 511 2.030 -0.076 22.572 1.00 0.00 C ATOM 2401 C ARG B 511 0.896 -0.309 21.571 1.00 0.00 C ATOM 2402 O ARG B 511 -0.049 -1.049 21.860 1.00 0.00 O ATOM 2403 CB ARG B 511 1.846 1.282 23.268 1.00 0.00 C ATOM 2404 CG ARG B 511 2.687 1.449 24.527 1.00 0.00 C ATOM 2405 CD ARG B 511 2.492 2.820 25.160 1.00 0.00 C ATOM 2406 NE ARG B 511 3.163 3.885 24.402 1.00 0.00 N ATOM 2407 CZ ARG B 511 3.193 5.176 24.761 1.00 0.00 C ATOM 2408 NH1 ARG B 511 2.593 5.596 25.874 1.00 0.00 N ATOM 2409 NH2 ARG B 511 3.830 6.053 23.998 1.00 0.00 N ATOM 0 H ARG B 511 3.380 0.331 21.014 1.00 0.00 H new ATOM 0 HA ARG B 511 1.994 -0.864 23.324 1.00 0.00 H new ATOM 0 HB2 ARG B 511 2.099 2.076 22.566 1.00 0.00 H new ATOM 0 HB3 ARG B 511 0.794 1.408 23.526 1.00 0.00 H new ATOM 0 HG2 ARG B 511 2.421 0.675 25.247 1.00 0.00 H new ATOM 0 HG3 ARG B 511 3.740 1.308 24.282 1.00 0.00 H new ATOM 0 HD2 ARG B 511 1.426 3.039 25.225 1.00 0.00 H new ATOM 0 HD3 ARG B 511 2.877 2.805 26.180 1.00 0.00 H new ATOM 0 HE ARG B 511 3.641 3.623 23.540 1.00 0.00 H new ATOM 0 HH11 ARG B 511 2.100 4.931 26.470 1.00 0.00 H new ATOM 0 HH12 ARG B 511 2.627 6.583 26.130 1.00 0.00 H new ATOM 0 HH21 ARG B 511 4.293 5.744 23.144 1.00 0.00 H new ATOM 0 HH22 ARG B 511 3.857 7.037 24.265 1.00 0.00 H new ATOM 2423 N GLU B 512 1.001 0.329 20.398 1.00 0.00 N ATOM 2424 CA GLU B 512 -0.006 0.203 19.341 1.00 0.00 C ATOM 2425 C GLU B 512 0.592 -0.458 18.099 1.00 0.00 C ATOM 2426 O GLU B 512 1.814 -0.457 17.916 1.00 0.00 O ATOM 2427 CB GLU B 512 -0.579 1.581 18.982 1.00 0.00 C ATOM 2428 CG GLU B 512 -1.510 2.157 20.039 1.00 0.00 C ATOM 2429 CD GLU B 512 -2.045 3.524 19.663 1.00 0.00 C ATOM 2430 OE1 GLU B 512 -3.126 3.588 19.041 1.00 0.00 O ATOM 2431 OE2 GLU B 512 -1.383 4.532 19.990 1.00 0.00 O ATOM 0 H GLU B 512 1.780 0.942 20.158 1.00 0.00 H new ATOM 0 HA GLU B 512 -0.813 -0.428 19.713 1.00 0.00 H new ATOM 0 HB2 GLU B 512 0.245 2.276 18.821 1.00 0.00 H new ATOM 0 HB3 GLU B 512 -1.120 1.504 18.039 1.00 0.00 H new ATOM 0 HG2 GLU B 512 -2.345 1.474 20.193 1.00 0.00 H new ATOM 0 HG3 GLU B 512 -0.977 2.228 20.987 1.00 0.00 H new ATOM 2438 N ILE B 513 -0.280 -1.019 17.247 1.00 0.00 N ATOM 2439 CA ILE B 513 0.156 -1.693 16.014 1.00 0.00 C ATOM 2440 C ILE B 513 0.273 -0.703 14.834 1.00 0.00 C ATOM 2441 O ILE B 513 -0.401 0.330 14.840 1.00 0.00 O ATOM 2442 CB ILE B 513 -0.773 -2.885 15.619 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -2.272 -2.523 15.691 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -0.484 -4.088 16.503 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -2.839 -1.998 14.387 1.00 0.00 C ATOM 0 H ILE B 513 -1.290 -1.019 17.389 1.00 0.00 H new ATOM 0 HA ILE B 513 1.144 -2.100 16.231 1.00 0.00 H new ATOM 0 HB ILE B 513 -0.553 -3.129 14.580 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -2.835 -3.406 15.992 1.00 0.00 H new ATOM 0 HG13 ILE B 513 -2.418 -1.772 16.468 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -1.137 -4.913 16.219 1.00 0.00 H new ATOM 0 HG22 ILE B 513 0.556 -4.389 16.379 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -0.664 -3.825 17.545 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -3.896 -1.766 14.517 1.00 0.00 H new ATOM 0 HD12 ILE B 513 -2.303 -1.095 14.094 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -2.727 -2.755 13.611 1.00 0.00 H new ATOM 2457 N PRO B 514 1.131 -0.995 13.803 1.00 0.00 N ATOM 2458 CA PRO B 514 1.314 -0.106 12.642 1.00 0.00 C ATOM 2459 C PRO B 514 0.259 -0.307 11.542 1.00 0.00 C ATOM 2460 O PRO B 514 -0.545 -1.242 11.600 1.00 0.00 O ATOM 2461 CB PRO B 514 2.714 -0.489 12.115 1.00 0.00 C ATOM 2462 CG PRO B 514 3.210 -1.606 12.983 1.00 0.00 C ATOM 2463 CD PRO B 514 2.008 -2.178 13.676 1.00 0.00 C ATOM 0 HA PRO B 514 1.211 0.941 12.929 1.00 0.00 H new ATOM 0 HB2 PRO B 514 2.663 -0.803 11.072 1.00 0.00 H new ATOM 0 HB3 PRO B 514 3.391 0.364 12.158 1.00 0.00 H new ATOM 0 HG2 PRO B 514 3.711 -2.367 12.385 1.00 0.00 H new ATOM 0 HG3 PRO B 514 3.937 -1.240 13.708 1.00 0.00 H new ATOM 0 HD2 PRO B 514 1.540 -2.971 13.093 1.00 0.00 H new ATOM 0 HD3 PRO B 514 2.261 -2.603 14.647 1.00 0.00 H new ATOM 2471 N LEU B 515 0.286 0.592 10.547 1.00 0.00 N ATOM 2472 CA LEU B 515 -0.635 0.560 9.400 1.00 0.00 C ATOM 2473 C LEU B 515 -0.077 -0.320 8.278 1.00 0.00 C ATOM 2474 O LEU B 515 -0.723 -1.283 7.856 1.00 0.00 O ATOM 2475 CB LEU B 515 -0.897 1.987 8.885 1.00 0.00 C ATOM 2476 CG LEU B 515 0.298 2.950 8.950 1.00 0.00 C ATOM 2477 CD1 LEU B 515 0.462 3.719 7.647 1.00 0.00 C ATOM 2478 CD2 LEU B 515 0.172 3.863 10.163 1.00 0.00 C ATOM 0 H LEU B 515 0.950 1.365 10.515 1.00 0.00 H new ATOM 0 HA LEU B 515 -1.580 0.129 9.731 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -1.233 1.924 7.850 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -1.717 2.416 9.461 1.00 0.00 H new ATOM 0 HG LEU B 515 1.212 2.370 9.074 1.00 0.00 H new ATOM 0 HD11 LEU B 515 1.316 4.391 7.726 1.00 0.00 H new ATOM 0 HD12 LEU B 515 0.627 3.018 6.829 1.00 0.00 H new ATOM 0 HD13 LEU B 515 -0.440 4.299 7.451 1.00 0.00 H new ATOM 0 HD21 LEU B 515 1.025 4.541 10.198 1.00 0.00 H new ATOM 0 HD22 LEU B 515 -0.749 4.442 10.089 1.00 0.00 H new ATOM 0 HD23 LEU B 515 0.150 3.261 11.071 1.00 0.00 H new ATOM 2490 N LYS B 516 1.146 0.026 7.824 1.00 0.00 N ATOM 2491 CA LYS B 516 1.896 -0.672 6.761 1.00 0.00 C ATOM 2492 C LYS B 516 1.044 -1.262 5.609 1.00 0.00 C ATOM 2493 O LYS B 516 1.407 -2.297 5.032 1.00 0.00 O ATOM 2494 CB LYS B 516 2.761 -1.753 7.411 1.00 0.00 C ATOM 2495 CG LYS B 516 4.170 -1.286 7.732 1.00 0.00 C ATOM 2496 CD LYS B 516 4.973 -2.373 8.432 1.00 0.00 C ATOM 2497 CE LYS B 516 6.389 -1.912 8.751 1.00 0.00 C ATOM 2498 NZ LYS B 516 6.422 -0.931 9.873 1.00 0.00 N ATOM 0 H LYS B 516 1.655 0.826 8.201 1.00 0.00 H new ATOM 0 HA LYS B 516 2.503 0.086 6.266 1.00 0.00 H new ATOM 0 HB2 LYS B 516 2.280 -2.090 8.329 1.00 0.00 H new ATOM 0 HB3 LYS B 516 2.815 -2.614 6.745 1.00 0.00 H new ATOM 0 HG2 LYS B 516 4.676 -0.994 6.812 1.00 0.00 H new ATOM 0 HG3 LYS B 516 4.125 -0.400 8.366 1.00 0.00 H new ATOM 0 HD2 LYS B 516 4.468 -2.661 9.354 1.00 0.00 H new ATOM 0 HD3 LYS B 516 5.013 -3.260 7.800 1.00 0.00 H new ATOM 0 HE2 LYS B 516 7.001 -2.776 9.008 1.00 0.00 H new ATOM 0 HE3 LYS B 516 6.831 -1.461 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 7.405 -0.645 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 5.859 -0.094 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 6.024 -1.369 10.729 1.00 0.00 H new ATOM 2512 N VAL B 517 -0.077 -0.604 5.263 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.926 -1.077 4.158 1.00 0.00 C ATOM 2514 C VAL B 517 -1.601 0.064 3.404 1.00 0.00 C ATOM 2515 O VAL B 517 -1.680 0.046 2.177 1.00 0.00 O ATOM 2516 CB VAL B 517 -1.984 -2.141 4.596 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -3.063 -1.546 5.502 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -2.596 -2.795 3.357 1.00 0.00 C ATOM 0 H VAL B 517 -0.411 0.242 5.724 1.00 0.00 H new ATOM 0 HA VAL B 517 -0.236 -1.572 3.475 1.00 0.00 H new ATOM 0 HB VAL B 517 -1.475 -2.903 5.187 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -3.775 -2.324 5.780 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -2.600 -1.140 6.401 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -3.585 -0.749 4.972 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -3.333 -3.537 3.664 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -3.080 -2.034 2.745 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -1.812 -3.282 2.777 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.094 1.028 4.154 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.770 2.201 3.618 1.00 0.00 C ATOM 2530 C LEU B 518 -1.873 3.010 2.661 1.00 0.00 C ATOM 2531 O LEU B 518 -2.288 4.033 2.113 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.234 3.050 4.803 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.449 2.519 5.614 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -5.412 1.692 4.761 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -3.980 1.708 6.815 1.00 0.00 C ATOM 0 H LEU B 518 -2.037 1.022 5.172 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.624 1.886 3.018 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.394 3.166 5.487 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.482 4.044 4.432 1.00 0.00 H new ATOM 0 HG LEU B 518 -4.999 3.394 5.962 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.241 1.347 5.379 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.797 2.307 3.947 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.885 0.832 4.348 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -4.845 1.345 7.370 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -3.387 0.860 6.472 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -3.371 2.338 7.464 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.644 2.516 2.481 1.00 0.00 N ATOM 2548 CA VAL B 519 0.352 3.097 1.590 1.00 0.00 C ATOM 2549 C VAL B 519 1.081 1.951 0.900 1.00 0.00 C ATOM 2550 O VAL B 519 1.426 2.049 -0.279 1.00 0.00 O ATOM 2551 CB VAL B 519 1.367 4.014 2.335 1.00 0.00 C ATOM 2552 CG1 VAL B 519 2.318 4.703 1.352 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.662 5.079 3.168 1.00 0.00 C ATOM 0 H VAL B 519 -0.311 1.682 2.964 1.00 0.00 H new ATOM 0 HA VAL B 519 -0.155 3.736 0.867 1.00 0.00 H new ATOM 0 HB VAL B 519 1.938 3.366 3.000 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.014 5.336 1.902 1.00 0.00 H new ATOM 0 HG12 VAL B 519 2.875 3.949 0.796 1.00 0.00 H new ATOM 0 HG13 VAL B 519 1.743 5.315 0.657 1.00 0.00 H new ATOM 0 HG21 VAL B 519 1.405 5.698 3.672 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.050 5.704 2.517 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.026 4.598 3.911 1.00 0.00 H new ATOM 2563 N LYS B 520 1.320 0.863 1.656 1.00 0.00 N ATOM 2564 CA LYS B 520 1.952 -0.331 1.129 1.00 0.00 C ATOM 2565 C LYS B 520 1.123 -0.962 0.023 1.00 0.00 C ATOM 2566 O LYS B 520 1.665 -1.598 -0.883 1.00 0.00 O ATOM 2567 CB LYS B 520 2.168 -1.339 2.241 1.00 0.00 C ATOM 2568 CG LYS B 520 3.593 -1.863 2.284 1.00 0.00 C ATOM 2569 CD LYS B 520 4.057 -2.426 0.930 1.00 0.00 C ATOM 2570 CE LYS B 520 5.495 -2.914 0.986 1.00 0.00 C ATOM 2571 NZ LYS B 520 5.931 -3.502 -0.310 1.00 0.00 N ATOM 0 H LYS B 520 1.076 0.801 2.644 1.00 0.00 H new ATOM 0 HA LYS B 520 2.913 -0.037 0.707 1.00 0.00 H new ATOM 0 HB2 LYS B 520 1.926 -0.877 3.198 1.00 0.00 H new ATOM 0 HB3 LYS B 520 1.481 -2.175 2.108 1.00 0.00 H new ATOM 0 HG2 LYS B 520 4.263 -1.059 2.588 1.00 0.00 H new ATOM 0 HG3 LYS B 520 3.667 -2.643 3.042 1.00 0.00 H new ATOM 0 HD2 LYS B 520 3.405 -3.248 0.635 1.00 0.00 H new ATOM 0 HD3 LYS B 520 3.964 -1.656 0.165 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.151 -2.083 1.247 1.00 0.00 H new ATOM 0 HE3 LYS B 520 5.595 -3.659 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 6.757 -4.114 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 5.155 -4.065 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.185 -2.739 -0.969 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.199 -0.776 0.115 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.125 -1.272 -0.893 1.00 0.00 C ATOM 2587 C ALA B 521 -1.176 -0.287 -2.062 1.00 0.00 C ATOM 2588 O ALA B 521 -2.020 -0.374 -2.962 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.496 -1.487 -0.286 1.00 0.00 C ATOM 0 H ALA B 521 -0.648 -0.281 0.886 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.779 -2.235 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.178 -1.858 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -2.426 -2.215 0.522 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.872 -0.543 0.108 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.218 0.637 -2.010 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.040 1.684 -2.986 1.00 0.00 C ATOM 2597 C VAL B 522 1.403 1.652 -3.506 1.00 0.00 C ATOM 2598 O VAL B 522 1.668 2.098 -4.626 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.387 3.096 -2.438 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.812 4.018 -3.573 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.489 3.033 -1.388 1.00 0.00 C ATOM 0 H VAL B 522 0.472 0.669 -1.259 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.740 1.493 -3.800 1.00 0.00 H new ATOM 0 HB VAL B 522 0.512 3.494 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.051 5.003 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.001 4.108 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.691 3.605 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.706 4.038 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.389 2.604 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -1.162 2.411 -0.555 1.00 0.00 H new ATOM 2611 N LEU B 523 2.338 1.118 -2.681 1.00 0.00 N ATOM 2612 CA LEU B 523 3.736 0.977 -3.080 1.00 0.00 C ATOM 2613 C LEU B 523 3.886 -0.387 -3.751 1.00 0.00 C ATOM 2614 O LEU B 523 4.926 -0.715 -4.326 1.00 0.00 O ATOM 2615 CB LEU B 523 4.673 1.086 -1.866 1.00 0.00 C ATOM 2616 CG LEU B 523 4.593 2.410 -1.087 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.542 2.165 0.414 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.750 3.335 -1.432 1.00 0.00 C ATOM 0 H LEU B 523 2.136 0.782 -1.739 1.00 0.00 H new ATOM 0 HA LEU B 523 4.011 1.777 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.450 0.267 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.699 0.946 -2.207 1.00 0.00 H new ATOM 0 HG LEU B 523 3.668 2.901 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.486 3.120 0.937 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.663 1.567 0.655 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.440 1.633 0.726 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.659 4.260 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.692 2.847 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.729 3.562 -2.498 1.00 0.00 H new ATOM 2630 N PHE B 524 2.795 -1.168 -3.651 1.00 0.00 N ATOM 2631 CA PHE B 524 2.694 -2.499 -4.228 1.00 0.00 C ATOM 2632 C PHE B 524 2.225 -2.425 -5.692 1.00 0.00 C ATOM 2633 O PHE B 524 2.764 -3.118 -6.560 1.00 0.00 O ATOM 2634 CB PHE B 524 1.744 -3.357 -3.348 1.00 0.00 C ATOM 2635 CG PHE B 524 0.593 -4.024 -4.064 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.665 -3.445 -4.063 1.00 0.00 C ATOM 2637 CD2 PHE B 524 0.773 -5.225 -4.729 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.722 -4.051 -4.713 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -0.279 -5.836 -5.382 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.529 -5.248 -5.374 1.00 0.00 C ATOM 0 H PHE B 524 1.951 -0.877 -3.157 1.00 0.00 H new ATOM 0 HA PHE B 524 3.675 -2.975 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.336 -4.129 -2.857 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.336 -2.721 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.821 -2.509 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE B 524 1.748 -5.689 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.698 -3.589 -4.704 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -0.125 -6.772 -5.898 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.354 -5.724 -5.884 1.00 0.00 H new ATOM 2650 N ALA B 525 1.215 -1.577 -5.943 1.00 0.00 N ATOM 2651 CA ALA B 525 0.645 -1.392 -7.284 1.00 0.00 C ATOM 2652 C ALA B 525 1.480 -0.431 -8.145 1.00 0.00 C ATOM 2653 O ALA B 525 1.208 -0.268 -9.340 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.789 -0.893 -7.171 1.00 0.00 C ATOM 0 H ALA B 525 0.773 -1.003 -5.225 1.00 0.00 H new ATOM 0 HA ALA B 525 0.657 -2.360 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.207 -0.758 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.386 -1.622 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.802 0.059 -6.640 1.00 0.00 H new ATOM 2660 N CYS B 526 2.499 0.197 -7.531 1.00 0.00 N ATOM 2661 CA CYS B 526 3.386 1.134 -8.236 1.00 0.00 C ATOM 2662 C CYS B 526 4.504 0.393 -8.994 1.00 0.00 C ATOM 2663 O CYS B 526 5.482 1.005 -9.442 1.00 0.00 O ATOM 2664 CB CYS B 526 3.994 2.124 -7.233 1.00 0.00 C ATOM 2665 SG CYS B 526 4.922 3.475 -7.997 1.00 0.00 S ATOM 0 H CYS B 526 2.727 0.070 -6.545 1.00 0.00 H new ATOM 0 HA CYS B 526 2.791 1.677 -8.971 1.00 0.00 H new ATOM 0 HB2 CYS B 526 3.194 2.546 -6.625 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.655 1.580 -6.558 1.00 0.00 H new ATOM 0 HG CYS B 526 5.627 3.012 -8.986 1.00 0.00 H new ATOM 2671 N MET B 527 4.332 -0.925 -9.152 1.00 0.00 N ATOM 2672 CA MET B 527 5.314 -1.771 -9.839 1.00 0.00 C ATOM 2673 C MET B 527 4.719 -2.418 -11.092 1.00 0.00 C ATOM 2674 O MET B 527 5.461 -2.894 -11.957 1.00 0.00 O ATOM 2675 CB MET B 527 5.839 -2.867 -8.897 1.00 0.00 C ATOM 2676 CG MET B 527 6.272 -2.369 -7.519 1.00 0.00 C ATOM 2677 SD MET B 527 7.455 -1.008 -7.590 1.00 0.00 S ATOM 2678 CE MET B 527 7.540 -0.551 -5.861 1.00 0.00 C ATOM 0 H MET B 527 3.515 -1.431 -8.810 1.00 0.00 H new ATOM 0 HA MET B 527 6.140 -1.127 -10.141 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.062 -3.620 -8.769 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.686 -3.361 -9.373 1.00 0.00 H new ATOM 0 HG2 MET B 527 5.391 -2.047 -6.964 1.00 0.00 H new ATOM 0 HG3 MET B 527 6.714 -3.196 -6.964 1.00 0.00 H new ATOM 0 HE1 MET B 527 8.554 -0.234 -5.618 1.00 0.00 H new ATOM 0 HE2 MET B 527 6.847 0.268 -5.667 1.00 0.00 H new ATOM 0 HE3 MET B 527 7.271 -1.409 -5.244 1.00 0.00 H new ATOM 2688 N LEU B 528 3.376 -2.433 -11.180 1.00 0.00 N ATOM 2689 CA LEU B 528 2.648 -3.023 -12.315 1.00 0.00 C ATOM 2690 C LEU B 528 3.055 -2.396 -13.658 1.00 0.00 C ATOM 2691 O LEU B 528 3.362 -3.113 -14.615 1.00 0.00 O ATOM 2692 CB LEU B 528 1.135 -2.878 -12.103 1.00 0.00 C ATOM 2693 CG LEU B 528 0.636 -3.375 -10.748 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.598 -2.603 -10.310 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.349 -4.866 -10.783 1.00 0.00 C ATOM 0 H LEU B 528 2.766 -2.036 -10.465 1.00 0.00 H new ATOM 0 HA LEU B 528 2.913 -4.080 -12.357 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.864 -1.828 -12.213 1.00 0.00 H new ATOM 0 HB3 LEU B 528 0.616 -3.425 -12.890 1.00 0.00 H new ATOM 0 HG LEU B 528 1.427 -3.201 -10.018 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.935 -2.975 -9.342 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.354 -1.544 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.391 -2.736 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.005 -5.192 -9.805 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -0.416 -5.072 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.261 -5.406 -11.037 1.00 0.00 H new ATOM 2707 N MET B 529 3.052 -1.055 -13.709 1.00 0.00 N ATOM 2708 CA MET B 529 3.425 -0.312 -14.917 1.00 0.00 C ATOM 2709 C MET B 529 4.263 0.920 -14.551 1.00 0.00 C ATOM 2710 O MET B 529 3.811 2.066 -14.673 1.00 0.00 O ATOM 2711 CB MET B 529 2.173 0.094 -15.718 1.00 0.00 C ATOM 2712 CG MET B 529 1.473 -1.072 -16.403 1.00 0.00 C ATOM 2713 SD MET B 529 2.501 -1.863 -17.656 1.00 0.00 S ATOM 2714 CE MET B 529 1.397 -3.146 -18.240 1.00 0.00 C ATOM 0 H MET B 529 2.793 -0.462 -12.920 1.00 0.00 H new ATOM 0 HA MET B 529 4.030 -0.963 -15.548 1.00 0.00 H new ATOM 0 HB2 MET B 529 1.468 0.585 -15.047 1.00 0.00 H new ATOM 0 HB3 MET B 529 2.458 0.827 -16.472 1.00 0.00 H new ATOM 0 HG2 MET B 529 1.188 -1.810 -15.653 1.00 0.00 H new ATOM 0 HG3 MET B 529 0.552 -0.716 -16.866 1.00 0.00 H new ATOM 0 HE1 MET B 529 1.891 -3.724 -19.021 1.00 0.00 H new ATOM 0 HE2 MET B 529 1.135 -3.805 -17.412 1.00 0.00 H new ATOM 0 HE3 MET B 529 0.492 -2.692 -18.643 1.00 0.00 H new ATOM 2724 N ARG B 530 5.489 0.663 -14.081 1.00 0.00 N ATOM 2725 CA ARG B 530 6.421 1.725 -13.685 1.00 0.00 C ATOM 2726 C ARG B 530 7.326 2.155 -14.860 1.00 0.00 C ATOM 2727 O ARG B 530 8.492 2.521 -14.666 1.00 0.00 O ATOM 2728 CB ARG B 530 7.253 1.268 -12.463 1.00 0.00 C ATOM 2729 CG ARG B 530 8.018 -0.048 -12.646 1.00 0.00 C ATOM 2730 CD ARG B 530 9.306 -0.071 -11.835 1.00 0.00 C ATOM 2731 NE ARG B 530 10.340 0.804 -12.406 1.00 0.00 N ATOM 2732 CZ ARG B 530 11.605 0.881 -11.966 1.00 0.00 C ATOM 2733 NH1 ARG B 530 12.025 0.141 -10.941 1.00 0.00 N ATOM 2734 NH2 ARG B 530 12.455 1.708 -12.559 1.00 0.00 N ATOM 0 H ARG B 530 5.861 -0.280 -13.965 1.00 0.00 H new ATOM 0 HA ARG B 530 5.842 2.603 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.968 2.053 -12.217 1.00 0.00 H new ATOM 0 HB3 ARG B 530 6.585 1.165 -11.608 1.00 0.00 H new ATOM 0 HG2 ARG B 530 7.384 -0.882 -12.345 1.00 0.00 H new ATOM 0 HG3 ARG B 530 8.251 -0.189 -13.701 1.00 0.00 H new ATOM 0 HD2 ARG B 530 9.094 0.240 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG B 530 9.684 -1.092 -11.786 1.00 0.00 H new ATOM 0 HE ARG B 530 10.077 1.396 -13.194 1.00 0.00 H new ATOM 0 HH11 ARG B 530 11.381 -0.499 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG B 530 12.991 0.214 -10.621 1.00 0.00 H new ATOM 0 HH21 ARG B 530 12.146 2.281 -13.344 1.00 0.00 H new ATOM 0 HH22 ARG B 530 13.418 1.772 -12.230 1.00 0.00 H new ATOM 2748 N LYS B 531 6.758 2.130 -16.087 1.00 0.00 N ATOM 2749 CA LYS B 531 7.467 2.503 -17.335 1.00 0.00 C ATOM 2750 C LYS B 531 8.645 1.564 -17.628 1.00 0.00 C ATOM 2751 O LYS B 531 9.615 1.556 -16.837 1.00 0.00 O ATOM 2752 CB LYS B 531 7.949 3.973 -17.305 1.00 0.00 C ATOM 2753 CG LYS B 531 6.845 5.009 -17.534 1.00 0.00 C ATOM 2754 CD LYS B 531 6.010 5.277 -16.278 1.00 0.00 C ATOM 2755 CE LYS B 531 4.684 4.532 -16.319 1.00 0.00 C ATOM 2756 NZ LYS B 531 3.859 4.802 -15.109 1.00 0.00 N ATOM 2757 OXT LYS B 531 8.584 0.845 -18.647 1.00 0.00 O ATOM 0 H LYS B 531 5.790 1.849 -16.241 1.00 0.00 H new ATOM 0 HA LYS B 531 6.743 2.399 -18.143 1.00 0.00 H new ATOM 0 HB2 LYS B 531 8.419 4.168 -16.341 1.00 0.00 H new ATOM 0 HB3 LYS B 531 8.718 4.106 -18.067 1.00 0.00 H new ATOM 0 HG2 LYS B 531 7.294 5.943 -17.872 1.00 0.00 H new ATOM 0 HG3 LYS B 531 6.189 4.663 -18.333 1.00 0.00 H new ATOM 0 HD2 LYS B 531 6.572 4.973 -15.395 1.00 0.00 H new ATOM 0 HD3 LYS B 531 5.824 6.347 -16.185 1.00 0.00 H new ATOM 0 HE2 LYS B 531 4.129 4.826 -17.210 1.00 0.00 H new ATOM 0 HE3 LYS B 531 4.871 3.461 -16.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 3.618 3.903 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 4.397 5.399 -14.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 2.986 5.293 -15.387 1.00 0.00 H new TER 2771 LYS B 531