USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -25:sc= 0.277 USER MOD Set 1.2: A 125 THR OG1 : rot 56:sc= 0.77 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -4.81! C(o=-4.8!,f=-4!) USER MOD Set 3.1: A 67 CYS SG : rot -88:sc= -0.124 USER MOD Set 3.2: A 71 HIS : no HD1:sc= -3.58! K(o=-5.7!,f=-13) USER MOD Set 3.3: A 90 SER OG : rot 146:sc= -0.145 USER MOD Set 3.4: A 120 SER OG : rot -72:sc= -1.82 USER MOD Set 4.1: A 77 HIS : no HD1:sc= -14.2! C(o=-18!,f=-12!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -3.37! C(o=-18!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -53:sc= -0.858 USER MOD Single : A 18 THR OG1 : rot -41:sc= 0.215 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.68! K(o=-3.7!,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= -0.545 (180deg=-2.05!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -2.12! (180deg=-3.8!) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= 0.199 (180deg=-0.907) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.58) USER MOD Single : A 58 CYS SG : rot 127:sc= -3.09! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.709 X(o=-0.71,f=-0.88) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -30:sc= -2.11 USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= -0.57! (180deg=-5.08!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.98! C(o=-4!,f=-2.7!) USER MOD Single : A 94 THR OG1 : rot -178:sc= -1.2 USER MOD Single : A 98 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=-0.7) USER MOD Single : A 104 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-2.7!) USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= -0.375 (180deg=-0.394) USER MOD Single : A 107 GLN : amide:sc= -2.31 K(o=-2.3,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.11) USER MOD Single : A 113 SER OG : rot 110:sc= -3.01! USER MOD Single : A 116 SER OG : rot 16:sc= 0.228! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.508 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -0.401 K(o=-0.4,f=-5!) USER MOD Single : A 132 THR OG1 : rot 65:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.260 1.161 4.472 1.00 21.33 N ATOM 2 CA MET A 1 17.570 0.427 3.257 1.00 34.41 C ATOM 3 C MET A 1 17.279 -1.066 3.429 1.00 41.31 C ATOM 4 O MET A 1 18.057 -1.785 4.054 1.00 73.22 O ATOM 5 CB MET A 1 19.045 0.622 2.904 1.00 4.32 C ATOM 6 CG MET A 1 19.257 1.930 2.138 1.00 23.22 C ATOM 7 SD MET A 1 20.972 2.093 1.672 1.00 64.14 S ATOM 8 CE MET A 1 21.598 2.974 3.092 1.00 13.04 C ATOM 0 H1 MET A 1 17.466 2.170 4.330 1.00 21.33 H new ATOM 0 H2 MET A 1 16.253 1.042 4.702 1.00 21.33 H new ATOM 0 H3 MET A 1 17.839 0.797 5.255 1.00 21.33 H new ATOM 0 HA MET A 1 16.942 0.811 2.453 1.00 34.41 H new ATOM 0 HB2 MET A 1 19.643 0.629 3.815 1.00 4.32 H new ATOM 0 HB3 MET A 1 19.392 -0.217 2.301 1.00 4.32 H new ATOM 0 HG2 MET A 1 18.627 1.947 1.249 1.00 23.22 H new ATOM 0 HG3 MET A 1 18.958 2.776 2.757 1.00 23.22 H new ATOM 0 HE1 MET A 1 22.665 3.159 2.964 1.00 13.04 H new ATOM 0 HE2 MET A 1 21.074 3.925 3.190 1.00 13.04 H new ATOM 0 HE3 MET A 1 21.438 2.377 3.990 1.00 13.04 H new ATOM 18 N ALA A 2 16.157 -1.487 2.863 1.00 3.52 N ATOM 19 CA ALA A 2 15.754 -2.880 2.946 1.00 64.11 C ATOM 20 C ALA A 2 16.176 -3.605 1.666 1.00 22.34 C ATOM 21 O ALA A 2 16.586 -2.971 0.695 1.00 12.14 O ATOM 22 CB ALA A 2 14.247 -2.962 3.193 1.00 73.04 C ATOM 0 H ALA A 2 15.515 -0.887 2.345 1.00 3.52 H new ATOM 0 HA ALA A 2 16.248 -3.374 3.783 1.00 64.11 H new ATOM 0 HB1 ALA A 2 13.945 -4.007 3.255 1.00 73.04 H new ATOM 0 HB2 ALA A 2 14.004 -2.458 4.128 1.00 73.04 H new ATOM 0 HB3 ALA A 2 13.717 -2.479 2.372 1.00 73.04 H new ATOM 28 N ALA A 3 16.062 -4.925 1.707 1.00 55.43 N ATOM 29 CA ALA A 3 16.426 -5.743 0.563 1.00 52.24 C ATOM 30 C ALA A 3 15.263 -6.676 0.218 1.00 44.14 C ATOM 31 O ALA A 3 15.423 -7.896 0.209 1.00 2.55 O ATOM 32 CB ALA A 3 17.715 -6.507 0.871 1.00 41.21 C ATOM 0 H ALA A 3 15.723 -5.448 2.515 1.00 55.43 H new ATOM 0 HA ALA A 3 16.618 -5.119 -0.310 1.00 52.24 H new ATOM 0 HB1 ALA A 3 17.988 -7.121 0.013 1.00 41.21 H new ATOM 0 HB2 ALA A 3 18.517 -5.799 1.080 1.00 41.21 H new ATOM 0 HB3 ALA A 3 17.560 -7.147 1.740 1.00 41.21 H new ATOM 38 N ALA A 4 14.120 -6.067 -0.059 1.00 33.01 N ATOM 39 CA ALA A 4 12.931 -6.828 -0.404 1.00 31.12 C ATOM 40 C ALA A 4 12.294 -6.230 -1.660 1.00 65.21 C ATOM 41 O ALA A 4 11.486 -5.307 -1.572 1.00 25.13 O ATOM 42 CB ALA A 4 11.970 -6.842 0.787 1.00 50.43 C ATOM 0 H ALA A 4 13.992 -5.055 -0.052 1.00 33.01 H new ATOM 0 HA ALA A 4 13.190 -7.863 -0.627 1.00 31.12 H new ATOM 0 HB1 ALA A 4 11.078 -7.413 0.528 1.00 50.43 H new ATOM 0 HB2 ALA A 4 12.460 -7.303 1.644 1.00 50.43 H new ATOM 0 HB3 ALA A 4 11.686 -5.820 1.038 1.00 50.43 H new ATOM 48 N VAL A 5 12.683 -6.781 -2.801 1.00 12.02 N ATOM 49 CA VAL A 5 12.160 -6.314 -4.074 1.00 3.44 C ATOM 50 C VAL A 5 11.057 -7.263 -4.547 1.00 4.24 C ATOM 51 O VAL A 5 9.877 -6.919 -4.504 1.00 22.12 O ATOM 52 CB VAL A 5 13.299 -6.169 -5.085 1.00 51.33 C ATOM 53 CG1 VAL A 5 12.864 -5.320 -6.282 1.00 5.13 C ATOM 54 CG2 VAL A 5 14.549 -5.585 -4.424 1.00 20.12 C ATOM 0 H VAL A 5 13.354 -7.546 -2.870 1.00 12.02 H new ATOM 0 HA VAL A 5 11.713 -5.326 -3.964 1.00 3.44 H new ATOM 0 HB VAL A 5 13.549 -7.164 -5.453 1.00 51.33 H new ATOM 0 HG11 VAL A 5 13.692 -5.232 -6.986 1.00 5.13 H new ATOM 0 HG12 VAL A 5 12.016 -5.795 -6.776 1.00 5.13 H new ATOM 0 HG13 VAL A 5 12.574 -4.327 -5.938 1.00 5.13 H new ATOM 0 HG21 VAL A 5 15.343 -5.493 -5.165 1.00 20.12 H new ATOM 0 HG22 VAL A 5 14.318 -4.601 -4.015 1.00 20.12 H new ATOM 0 HG23 VAL A 5 14.877 -6.244 -3.621 1.00 20.12 H new ATOM 64 N ASN A 6 11.481 -8.438 -4.987 1.00 22.31 N ATOM 65 CA ASN A 6 10.544 -9.440 -5.467 1.00 43.45 C ATOM 66 C ASN A 6 9.707 -8.846 -6.602 1.00 44.43 C ATOM 67 O ASN A 6 8.483 -8.965 -6.604 1.00 2.25 O ATOM 68 CB ASN A 6 9.589 -9.879 -4.356 1.00 3.12 C ATOM 69 CG ASN A 6 8.640 -10.973 -4.849 1.00 0.31 C ATOM 70 OD1 ASN A 6 8.755 -11.480 -5.953 1.00 3.34 O ATOM 71 ND2 ASN A 6 7.698 -11.307 -3.972 1.00 32.02 N ATOM 0 H ASN A 6 12.461 -8.719 -5.021 1.00 22.31 H new ATOM 0 HA ASN A 6 11.118 -10.301 -5.810 1.00 43.45 H new ATOM 0 HB2 ASN A 6 10.161 -10.246 -3.504 1.00 3.12 H new ATOM 0 HB3 ASN A 6 9.012 -9.022 -4.008 1.00 3.12 H new ATOM 0 HD21 ASN A 6 7.015 -12.027 -4.207 1.00 32.02 H new ATOM 0 HD22 ASN A 6 7.658 -10.843 -3.065 1.00 32.02 H new ATOM 78 N SER A 7 10.401 -8.219 -7.541 1.00 3.32 N ATOM 79 CA SER A 7 9.737 -7.606 -8.679 1.00 5.12 C ATOM 80 C SER A 7 9.255 -8.687 -9.648 1.00 31.23 C ATOM 81 O SER A 7 9.613 -9.856 -9.508 1.00 42.42 O ATOM 82 CB SER A 7 10.668 -6.626 -9.397 1.00 73.41 C ATOM 83 OG SER A 7 11.634 -7.299 -10.201 1.00 35.04 O ATOM 0 H SER A 7 11.416 -8.122 -7.537 1.00 3.32 H new ATOM 0 HA SER A 7 8.877 -7.046 -8.313 1.00 5.12 H new ATOM 0 HB2 SER A 7 10.077 -5.957 -10.023 1.00 73.41 H new ATOM 0 HB3 SER A 7 11.178 -6.005 -8.661 1.00 73.41 H new ATOM 0 HG SER A 7 12.208 -6.639 -10.644 1.00 35.04 H new ATOM 89 N GLY A 8 8.449 -8.259 -10.608 1.00 61.03 N ATOM 90 CA GLY A 8 7.914 -9.176 -11.600 1.00 74.11 C ATOM 91 C GLY A 8 6.603 -8.647 -12.185 1.00 52.42 C ATOM 92 O GLY A 8 5.522 -9.001 -11.717 1.00 10.22 O ATOM 0 H GLY A 8 8.153 -7.289 -10.720 1.00 61.03 H new ATOM 0 HA2 GLY A 8 8.642 -9.318 -12.399 1.00 74.11 H new ATOM 0 HA3 GLY A 8 7.746 -10.152 -11.145 1.00 74.11 H new ATOM 96 N SER A 9 6.742 -7.807 -13.201 1.00 14.14 N ATOM 97 CA SER A 9 5.582 -7.225 -13.855 1.00 32.14 C ATOM 98 C SER A 9 5.884 -6.979 -15.334 1.00 40.21 C ATOM 99 O SER A 9 6.988 -7.255 -15.800 1.00 63.11 O ATOM 100 CB SER A 9 5.162 -5.921 -13.174 1.00 45.41 C ATOM 101 OG SER A 9 6.170 -4.918 -13.274 1.00 64.25 O ATOM 0 H SER A 9 7.640 -7.516 -13.587 1.00 14.14 H new ATOM 0 HA SER A 9 4.754 -7.929 -13.772 1.00 32.14 H new ATOM 0 HB2 SER A 9 4.241 -5.556 -13.627 1.00 45.41 H new ATOM 0 HB3 SER A 9 4.945 -6.114 -12.123 1.00 45.41 H new ATOM 0 HG SER A 9 5.863 -4.101 -12.829 1.00 64.25 H new ATOM 107 N SER A 10 4.883 -6.462 -16.031 1.00 42.34 N ATOM 108 CA SER A 10 5.028 -6.175 -17.448 1.00 50.15 C ATOM 109 C SER A 10 6.096 -5.100 -17.658 1.00 51.53 C ATOM 110 O SER A 10 5.992 -4.002 -17.113 1.00 42.20 O ATOM 111 CB SER A 10 3.698 -5.728 -18.059 1.00 30.43 C ATOM 112 OG SER A 10 2.645 -6.645 -17.773 1.00 60.20 O ATOM 0 H SER A 10 3.968 -6.234 -15.641 1.00 42.34 H new ATOM 0 HA SER A 10 5.339 -7.090 -17.952 1.00 50.15 H new ATOM 0 HB2 SER A 10 3.435 -4.743 -17.674 1.00 30.43 H new ATOM 0 HB3 SER A 10 3.810 -5.629 -19.139 1.00 30.43 H new ATOM 0 HG SER A 10 1.813 -6.324 -18.178 1.00 60.20 H new ATOM 118 N LEU A 11 7.098 -5.452 -18.450 1.00 71.50 N ATOM 119 CA LEU A 11 8.184 -4.531 -18.739 1.00 31.33 C ATOM 120 C LEU A 11 8.835 -4.090 -17.426 1.00 52.34 C ATOM 121 O LEU A 11 8.254 -4.254 -16.355 1.00 33.41 O ATOM 122 CB LEU A 11 7.686 -3.369 -19.600 1.00 13.33 C ATOM 123 CG LEU A 11 7.810 -3.554 -21.113 1.00 41.25 C ATOM 124 CD1 LEU A 11 9.182 -3.096 -21.611 1.00 3.41 C ATOM 125 CD2 LEU A 11 7.508 -4.999 -21.516 1.00 14.32 C ATOM 0 H LEU A 11 7.181 -6.363 -18.901 1.00 71.50 H new ATOM 0 HA LEU A 11 8.957 -5.025 -19.328 1.00 31.33 H new ATOM 0 HB2 LEU A 11 6.638 -3.189 -19.361 1.00 13.33 H new ATOM 0 HB3 LEU A 11 8.236 -2.472 -19.317 1.00 13.33 H new ATOM 0 HG LEU A 11 7.064 -2.922 -21.596 1.00 41.25 H new ATOM 0 HD11 LEU A 11 9.244 -3.238 -22.690 1.00 3.41 H new ATOM 0 HD12 LEU A 11 9.321 -2.041 -21.376 1.00 3.41 H new ATOM 0 HD13 LEU A 11 9.961 -3.682 -21.123 1.00 3.41 H new ATOM 0 HD21 LEU A 11 7.603 -5.103 -22.597 1.00 14.32 H new ATOM 0 HD22 LEU A 11 8.213 -5.669 -21.024 1.00 14.32 H new ATOM 0 HD23 LEU A 11 6.492 -5.256 -21.215 1.00 14.32 H new ATOM 137 N PRO A 12 10.064 -3.523 -17.557 1.00 1.22 N ATOM 138 CA PRO A 12 10.800 -3.056 -16.394 1.00 63.42 C ATOM 139 C PRO A 12 10.214 -1.746 -15.863 1.00 64.54 C ATOM 140 O PRO A 12 9.079 -1.397 -16.181 1.00 13.42 O ATOM 141 CB PRO A 12 12.237 -2.915 -16.869 1.00 62.02 C ATOM 142 CG PRO A 12 12.171 -2.859 -18.387 1.00 10.23 C ATOM 143 CD PRO A 12 10.783 -3.312 -18.810 1.00 1.42 C ATOM 0 HA PRO A 12 10.738 -3.746 -15.552 1.00 63.42 H new ATOM 0 HB2 PRO A 12 12.695 -2.012 -16.464 1.00 62.02 H new ATOM 0 HB3 PRO A 12 12.843 -3.757 -16.535 1.00 62.02 H new ATOM 0 HG2 PRO A 12 12.366 -1.847 -18.741 1.00 10.23 H new ATOM 0 HG3 PRO A 12 12.933 -3.503 -18.826 1.00 10.23 H new ATOM 0 HD2 PRO A 12 10.292 -2.559 -19.427 1.00 1.42 H new ATOM 0 HD3 PRO A 12 10.828 -4.228 -19.400 1.00 1.42 H new ATOM 151 N LEU A 13 11.016 -1.058 -15.064 1.00 51.22 N ATOM 152 CA LEU A 13 10.591 0.206 -14.486 1.00 61.14 C ATOM 153 C LEU A 13 11.398 1.345 -15.113 1.00 21.13 C ATOM 154 O LEU A 13 10.923 2.477 -15.193 1.00 34.45 O ATOM 155 CB LEU A 13 10.682 0.155 -12.960 1.00 21.30 C ATOM 156 CG LEU A 13 11.764 -0.760 -12.383 1.00 22.31 C ATOM 157 CD1 LEU A 13 11.451 -2.230 -12.672 1.00 10.43 C ATOM 158 CD2 LEU A 13 13.150 -0.359 -12.892 1.00 2.12 C ATOM 0 H LEU A 13 11.957 -1.351 -14.803 1.00 51.22 H new ATOM 0 HA LEU A 13 9.542 0.395 -14.713 1.00 61.14 H new ATOM 0 HB2 LEU A 13 10.855 1.166 -12.592 1.00 21.30 H new ATOM 0 HB3 LEU A 13 9.716 -0.165 -12.569 1.00 21.30 H new ATOM 0 HG LEU A 13 11.771 -0.639 -11.300 1.00 22.31 H new ATOM 0 HD11 LEU A 13 12.236 -2.859 -12.251 1.00 10.43 H new ATOM 0 HD12 LEU A 13 10.494 -2.494 -12.222 1.00 10.43 H new ATOM 0 HD13 LEU A 13 11.400 -2.386 -13.750 1.00 10.43 H new ATOM 0 HD21 LEU A 13 13.901 -1.025 -12.467 1.00 2.12 H new ATOM 0 HD22 LEU A 13 13.174 -0.433 -13.979 1.00 2.12 H new ATOM 0 HD23 LEU A 13 13.365 0.667 -12.593 1.00 2.12 H new ATOM 170 N PHE A 14 12.605 1.006 -15.541 1.00 43.21 N ATOM 171 CA PHE A 14 13.483 1.986 -16.158 1.00 11.52 C ATOM 172 C PHE A 14 14.603 1.302 -16.944 1.00 32.10 C ATOM 173 O PHE A 14 14.902 0.131 -16.714 1.00 13.12 O ATOM 174 CB PHE A 14 14.100 2.809 -15.025 1.00 42.33 C ATOM 175 CG PHE A 14 15.392 3.532 -15.414 1.00 31.44 C ATOM 176 CD1 PHE A 14 15.337 4.776 -15.959 1.00 44.14 C ATOM 177 CD2 PHE A 14 16.595 2.929 -15.213 1.00 54.11 C ATOM 178 CE1 PHE A 14 16.536 5.446 -16.320 1.00 2.42 C ATOM 179 CE2 PHE A 14 17.793 3.599 -15.574 1.00 4.44 C ATOM 180 CZ PHE A 14 17.739 4.844 -16.119 1.00 71.13 C ATOM 0 H PHE A 14 12.996 0.066 -15.473 1.00 43.21 H new ATOM 0 HA PHE A 14 12.917 2.608 -16.852 1.00 11.52 H new ATOM 0 HB2 PHE A 14 13.371 3.545 -14.686 1.00 42.33 H new ATOM 0 HB3 PHE A 14 14.304 2.151 -14.181 1.00 42.33 H new ATOM 0 HD1 PHE A 14 14.382 5.255 -16.117 1.00 44.14 H new ATOM 0 HD2 PHE A 14 16.638 1.941 -14.779 1.00 54.11 H new ATOM 0 HE1 PHE A 14 16.493 6.434 -16.754 1.00 2.42 H new ATOM 0 HE2 PHE A 14 18.748 3.120 -15.416 1.00 4.44 H new ATOM 0 HZ PHE A 14 18.651 5.354 -16.392 1.00 71.13 H new ATOM 190 N ASP A 15 15.192 2.061 -17.856 1.00 12.41 N ATOM 191 CA ASP A 15 16.272 1.543 -18.677 1.00 63.44 C ATOM 192 C ASP A 15 17.488 2.463 -18.554 1.00 41.21 C ATOM 193 O ASP A 15 17.441 3.619 -18.972 1.00 11.10 O ATOM 194 CB ASP A 15 15.867 1.490 -20.152 1.00 33.03 C ATOM 195 CG ASP A 15 15.341 0.135 -20.630 1.00 14.14 C ATOM 196 OD1 ASP A 15 14.123 -0.079 -20.728 1.00 41.53 O ATOM 197 OD2 ASP A 15 16.251 -0.735 -20.911 1.00 13.22 O ATOM 0 H ASP A 15 14.941 3.032 -18.044 1.00 12.41 H new ATOM 0 HA ASP A 15 16.505 0.536 -18.330 1.00 63.44 H new ATOM 0 HB2 ASP A 15 15.100 2.244 -20.330 1.00 33.03 H new ATOM 0 HB3 ASP A 15 16.729 1.763 -20.760 1.00 33.03 H new ATOM 203 N CYS A 16 18.549 1.916 -17.979 1.00 14.14 N ATOM 204 CA CYS A 16 19.775 2.674 -17.795 1.00 71.30 C ATOM 205 C CYS A 16 20.401 2.914 -19.170 1.00 2.30 C ATOM 206 O CYS A 16 20.451 2.009 -20.001 1.00 31.55 O ATOM 207 CB CYS A 16 20.741 1.964 -16.844 1.00 11.51 C ATOM 208 SG CYS A 16 22.398 2.734 -16.947 1.00 62.41 S ATOM 0 H CYS A 16 18.585 0.957 -17.634 1.00 14.14 H new ATOM 0 HA CYS A 16 19.547 3.632 -17.328 1.00 71.30 H new ATOM 0 HB2 CYS A 16 20.367 2.022 -15.822 1.00 11.51 H new ATOM 0 HB3 CYS A 16 20.806 0.907 -17.100 1.00 11.51 H new ATOM 0 HG CYS A 16 22.784 2.769 -18.188 1.00 62.41 H new ATOM 214 N PRO A 17 20.876 4.172 -19.373 1.00 41.51 N ATOM 215 CA PRO A 17 21.497 4.544 -20.633 1.00 62.31 C ATOM 216 C PRO A 17 22.906 3.957 -20.744 1.00 32.21 C ATOM 217 O PRO A 17 23.248 3.016 -20.029 1.00 42.03 O ATOM 218 CB PRO A 17 21.484 6.064 -20.645 1.00 61.54 C ATOM 219 CG PRO A 17 21.284 6.490 -19.200 1.00 54.44 C ATOM 220 CD PRO A 17 20.834 5.271 -18.412 1.00 64.12 C ATOM 0 HA PRO A 17 20.964 4.148 -21.498 1.00 62.31 H new ATOM 0 HB2 PRO A 17 22.418 6.459 -21.043 1.00 61.54 H new ATOM 0 HB3 PRO A 17 20.682 6.443 -21.279 1.00 61.54 H new ATOM 0 HG2 PRO A 17 22.211 6.890 -18.788 1.00 54.44 H new ATOM 0 HG3 PRO A 17 20.539 7.283 -19.136 1.00 54.44 H new ATOM 0 HD2 PRO A 17 21.493 5.082 -17.565 1.00 64.12 H new ATOM 0 HD3 PRO A 17 19.830 5.408 -18.010 1.00 64.12 H new ATOM 228 N THR A 18 23.685 4.537 -21.645 1.00 73.11 N ATOM 229 CA THR A 18 25.049 4.083 -21.859 1.00 14.34 C ATOM 230 C THR A 18 26.040 5.199 -21.524 1.00 42.44 C ATOM 231 O THR A 18 27.251 5.014 -21.638 1.00 72.22 O ATOM 232 CB THR A 18 25.160 3.583 -23.300 1.00 62.11 C ATOM 233 OG1 THR A 18 26.328 2.767 -23.295 1.00 22.32 O ATOM 234 CG2 THR A 18 25.494 4.705 -24.285 1.00 62.13 C ATOM 0 H THR A 18 23.398 5.318 -22.235 1.00 73.11 H new ATOM 0 HA THR A 18 25.301 3.257 -21.194 1.00 14.34 H new ATOM 0 HB THR A 18 24.223 3.110 -23.593 1.00 62.11 H new ATOM 0 HG1 THR A 18 27.023 3.194 -22.752 1.00 22.32 H new ATOM 0 HG21 THR A 18 25.561 4.296 -25.293 1.00 62.13 H new ATOM 0 HG22 THR A 18 24.711 5.463 -24.252 1.00 62.13 H new ATOM 0 HG23 THR A 18 26.448 5.157 -24.012 1.00 62.13 H new ATOM 242 N TRP A 19 25.490 6.334 -21.118 1.00 52.24 N ATOM 243 CA TRP A 19 26.311 7.480 -20.767 1.00 12.42 C ATOM 244 C TRP A 19 26.477 7.494 -19.246 1.00 1.11 C ATOM 245 O TRP A 19 27.186 8.340 -18.703 1.00 21.01 O ATOM 246 CB TRP A 19 25.707 8.775 -21.314 1.00 5.41 C ATOM 247 CG TRP A 19 24.179 8.769 -21.383 1.00 41.32 C ATOM 248 CD1 TRP A 19 23.398 8.232 -22.330 1.00 42.05 C ATOM 249 CD2 TRP A 19 23.273 9.352 -20.423 1.00 75.21 C ATOM 250 NE1 TRP A 19 22.060 8.425 -22.053 1.00 22.15 N ATOM 251 CE2 TRP A 19 21.981 9.127 -20.856 1.00 5.44 C ATOM 252 CE3 TRP A 19 23.535 10.045 -19.228 1.00 52.24 C ATOM 253 CZ2 TRP A 19 20.851 9.564 -20.154 1.00 62.51 C ATOM 254 CZ3 TRP A 19 22.394 10.475 -18.539 1.00 24.40 C ATOM 255 CH2 TRP A 19 21.088 10.257 -18.961 1.00 62.21 C ATOM 0 H TRP A 19 24.485 6.484 -21.024 1.00 52.24 H new ATOM 0 HA TRP A 19 27.297 7.403 -21.225 1.00 12.42 H new ATOM 0 HB2 TRP A 19 26.029 9.607 -20.687 1.00 5.41 H new ATOM 0 HB3 TRP A 19 26.105 8.956 -22.313 1.00 5.41 H new ATOM 0 HD1 TRP A 19 23.769 7.713 -23.201 1.00 42.05 H new ATOM 0 HE1 TRP A 19 21.274 8.110 -22.622 1.00 22.15 H new ATOM 0 HE3 TRP A 19 24.537 10.231 -18.870 1.00 52.24 H new ATOM 0 HZ2 TRP A 19 19.850 9.376 -20.514 1.00 62.51 H new ATOM 0 HZ3 TRP A 19 22.539 11.014 -17.614 1.00 24.40 H new ATOM 0 HH2 TRP A 19 20.260 10.621 -18.371 1.00 62.21 H new ATOM 266 N ALA A 20 25.811 6.547 -18.601 1.00 45.13 N ATOM 267 CA ALA A 20 25.877 6.440 -17.154 1.00 35.53 C ATOM 268 C ALA A 20 27.221 5.830 -16.752 1.00 2.32 C ATOM 269 O ALA A 20 27.701 4.898 -17.395 1.00 22.24 O ATOM 270 CB ALA A 20 24.689 5.617 -16.649 1.00 25.21 C ATOM 0 H ALA A 20 25.223 5.847 -19.054 1.00 45.13 H new ATOM 0 HA ALA A 20 25.812 7.426 -16.693 1.00 35.53 H new ATOM 0 HB1 ALA A 20 24.738 5.536 -15.563 1.00 25.21 H new ATOM 0 HB2 ALA A 20 23.759 6.108 -16.935 1.00 25.21 H new ATOM 0 HB3 ALA A 20 24.724 4.620 -17.089 1.00 25.21 H new ATOM 276 N GLY A 21 27.791 6.382 -15.691 1.00 2.22 N ATOM 277 CA GLY A 21 29.071 5.905 -15.196 1.00 21.35 C ATOM 278 C GLY A 21 28.997 5.589 -13.700 1.00 43.12 C ATOM 279 O GLY A 21 28.279 4.680 -13.289 1.00 34.41 O ATOM 0 H GLY A 21 27.390 7.155 -15.160 1.00 2.22 H new ATOM 0 HA2 GLY A 21 29.368 5.012 -15.746 1.00 21.35 H new ATOM 0 HA3 GLY A 21 29.838 6.659 -15.375 1.00 21.35 H new ATOM 283 N LYS A 22 29.750 6.358 -12.928 1.00 5.22 N ATOM 284 CA LYS A 22 29.779 6.172 -11.487 1.00 5.00 C ATOM 285 C LYS A 22 30.051 7.516 -10.809 1.00 4.22 C ATOM 286 O LYS A 22 31.113 8.108 -10.999 1.00 53.21 O ATOM 287 CB LYS A 22 30.780 5.078 -11.108 1.00 42.41 C ATOM 288 CG LYS A 22 31.322 5.297 -9.694 1.00 31.00 C ATOM 289 CD LYS A 22 32.674 6.013 -9.729 1.00 73.33 C ATOM 290 CE LYS A 22 33.827 5.007 -9.730 1.00 33.03 C ATOM 291 NZ LYS A 22 35.077 5.651 -9.268 1.00 53.33 N ATOM 0 H LYS A 22 30.345 7.111 -13.273 1.00 5.22 H new ATOM 0 HA LYS A 22 28.810 5.824 -11.128 1.00 5.00 H new ATOM 0 HB2 LYS A 22 30.298 4.102 -11.170 1.00 42.41 H new ATOM 0 HB3 LYS A 22 31.605 5.072 -11.821 1.00 42.41 H new ATOM 0 HG2 LYS A 22 30.610 5.885 -9.115 1.00 31.00 H new ATOM 0 HG3 LYS A 22 31.428 4.337 -9.189 1.00 31.00 H new ATOM 0 HD2 LYS A 22 32.734 6.641 -10.618 1.00 73.33 H new ATOM 0 HD3 LYS A 22 32.763 6.673 -8.866 1.00 73.33 H new ATOM 0 HE2 LYS A 22 33.584 4.165 -9.082 1.00 33.03 H new ATOM 0 HE3 LYS A 22 33.967 4.606 -10.734 1.00 33.03 H new ATOM 0 HZ1 LYS A 22 35.849 4.955 -9.275 1.00 53.33 H new ATOM 0 HZ2 LYS A 22 35.316 6.440 -9.902 1.00 53.33 H new ATOM 0 HZ3 LYS A 22 34.945 6.012 -8.302 1.00 53.33 H new ATOM 304 N PRO A 23 29.048 7.971 -10.011 1.00 24.33 N ATOM 305 CA PRO A 23 29.169 9.234 -9.303 1.00 51.02 C ATOM 306 C PRO A 23 30.110 9.103 -8.104 1.00 44.42 C ATOM 307 O PRO A 23 30.141 8.065 -7.445 1.00 4.51 O ATOM 308 CB PRO A 23 27.748 9.600 -8.906 1.00 21.42 C ATOM 309 CG PRO A 23 26.946 8.311 -8.994 1.00 40.44 C ATOM 310 CD PRO A 23 27.778 7.296 -9.762 1.00 15.53 C ATOM 0 HA PRO A 23 29.612 10.019 -9.916 1.00 51.02 H new ATOM 0 HB2 PRO A 23 27.718 10.011 -7.897 1.00 21.42 H new ATOM 0 HB3 PRO A 23 27.340 10.360 -9.572 1.00 21.42 H new ATOM 0 HG2 PRO A 23 26.713 7.937 -7.997 1.00 40.44 H new ATOM 0 HG3 PRO A 23 25.996 8.486 -9.499 1.00 40.44 H new ATOM 0 HD2 PRO A 23 27.921 6.383 -9.184 1.00 15.53 H new ATOM 0 HD3 PRO A 23 27.292 7.010 -10.695 1.00 15.53 H new ATOM 318 N PRO A 24 30.875 10.199 -7.852 1.00 12.54 N ATOM 319 CA PRO A 24 31.814 10.217 -6.743 1.00 45.45 C ATOM 320 C PRO A 24 31.085 10.376 -5.408 1.00 74.31 C ATOM 321 O PRO A 24 29.942 10.829 -5.371 1.00 73.30 O ATOM 322 CB PRO A 24 32.757 11.371 -7.046 1.00 22.34 C ATOM 323 CG PRO A 24 32.037 12.242 -8.062 1.00 0.54 C ATOM 324 CD PRO A 24 30.865 11.446 -8.611 1.00 52.22 C ATOM 0 HA PRO A 24 32.366 9.283 -6.645 1.00 45.45 H new ATOM 0 HB2 PRO A 24 32.987 11.935 -6.142 1.00 22.34 H new ATOM 0 HB3 PRO A 24 33.704 11.007 -7.445 1.00 22.34 H new ATOM 0 HG2 PRO A 24 31.688 13.163 -7.596 1.00 0.54 H new ATOM 0 HG3 PRO A 24 32.714 12.529 -8.867 1.00 0.54 H new ATOM 0 HD2 PRO A 24 29.925 11.982 -8.479 1.00 52.22 H new ATOM 0 HD3 PRO A 24 30.978 11.260 -9.679 1.00 52.22 H new ATOM 332 N PRO A 25 31.793 9.983 -4.316 1.00 5.53 N ATOM 333 CA PRO A 25 31.226 10.077 -2.982 1.00 15.54 C ATOM 334 C PRO A 25 31.209 11.527 -2.493 1.00 43.45 C ATOM 335 O PRO A 25 31.983 11.898 -1.613 1.00 5.34 O ATOM 336 CB PRO A 25 32.090 9.171 -2.121 1.00 61.42 C ATOM 337 CG PRO A 25 33.382 8.968 -2.896 1.00 51.13 C ATOM 338 CD PRO A 25 33.149 9.442 -4.322 1.00 4.24 C ATOM 0 HA PRO A 25 30.183 9.762 -2.947 1.00 15.54 H new ATOM 0 HB2 PRO A 25 32.285 9.625 -1.149 1.00 61.42 H new ATOM 0 HB3 PRO A 25 31.593 8.219 -1.934 1.00 61.42 H new ATOM 0 HG2 PRO A 25 34.196 9.528 -2.435 1.00 51.13 H new ATOM 0 HG3 PRO A 25 33.673 7.918 -2.885 1.00 51.13 H new ATOM 0 HD2 PRO A 25 33.877 10.200 -4.611 1.00 4.24 H new ATOM 0 HD3 PRO A 25 33.245 8.621 -5.033 1.00 4.24 H new ATOM 346 N GLY A 26 30.318 12.308 -3.087 1.00 44.11 N ATOM 347 CA GLY A 26 30.191 13.709 -2.724 1.00 10.24 C ATOM 348 C GLY A 26 28.941 14.327 -3.353 1.00 14.35 C ATOM 349 O GLY A 26 28.910 15.524 -3.633 1.00 54.51 O ATOM 0 H GLY A 26 29.677 11.997 -3.817 1.00 44.11 H new ATOM 0 HA2 GLY A 26 30.142 13.804 -1.639 1.00 10.24 H new ATOM 0 HA3 GLY A 26 31.075 14.255 -3.052 1.00 10.24 H new ATOM 353 N LEU A 27 27.940 13.483 -3.555 1.00 61.25 N ATOM 354 CA LEU A 27 26.690 13.931 -4.146 1.00 44.00 C ATOM 355 C LEU A 27 25.523 13.462 -3.275 1.00 51.34 C ATOM 356 O LEU A 27 25.686 12.579 -2.436 1.00 32.45 O ATOM 357 CB LEU A 27 26.593 13.475 -5.603 1.00 54.33 C ATOM 358 CG LEU A 27 27.818 13.752 -6.476 1.00 41.44 C ATOM 359 CD1 LEU A 27 27.816 12.864 -7.722 1.00 22.22 C ATOM 360 CD2 LEU A 27 27.913 15.237 -6.832 1.00 45.40 C ATOM 0 H LEU A 27 27.969 12.491 -3.320 1.00 61.25 H new ATOM 0 HA LEU A 27 26.650 15.020 -4.174 1.00 44.00 H new ATOM 0 HB2 LEU A 27 26.398 12.403 -5.615 1.00 54.33 H new ATOM 0 HB3 LEU A 27 25.730 13.961 -6.058 1.00 54.33 H new ATOM 0 HG LEU A 27 28.710 13.500 -5.902 1.00 41.44 H new ATOM 0 HD11 LEU A 27 28.698 13.081 -8.325 1.00 22.22 H new ATOM 0 HD12 LEU A 27 27.831 11.816 -7.422 1.00 22.22 H new ATOM 0 HD13 LEU A 27 26.918 13.061 -8.308 1.00 22.22 H new ATOM 0 HD21 LEU A 27 28.793 15.407 -7.453 1.00 45.40 H new ATOM 0 HD22 LEU A 27 27.019 15.538 -7.379 1.00 45.40 H new ATOM 0 HD23 LEU A 27 27.995 15.826 -5.918 1.00 45.40 H new ATOM 372 N HIS A 28 24.371 14.075 -3.506 1.00 2.52 N ATOM 373 CA HIS A 28 23.177 13.732 -2.753 1.00 12.11 C ATOM 374 C HIS A 28 21.989 14.543 -3.276 1.00 64.34 C ATOM 375 O HIS A 28 22.146 15.698 -3.667 1.00 41.35 O ATOM 376 CB HIS A 28 23.408 13.920 -1.252 1.00 53.33 C ATOM 377 CG HIS A 28 23.539 15.364 -0.827 1.00 73.54 C ATOM 378 ND1 HIS A 28 24.623 16.151 -1.173 1.00 55.55 N ATOM 379 CD2 HIS A 28 22.711 16.152 -0.083 1.00 43.11 C ATOM 380 CE1 HIS A 28 24.445 17.358 -0.655 1.00 24.44 C ATOM 381 NE2 HIS A 28 23.261 17.356 0.021 1.00 34.22 N ATOM 0 H HIS A 28 24.240 14.807 -4.204 1.00 2.52 H new ATOM 0 HA HIS A 28 22.944 12.677 -2.896 1.00 12.11 H new ATOM 0 HB2 HIS A 28 22.580 13.465 -0.708 1.00 53.33 H new ATOM 0 HB3 HIS A 28 24.312 13.384 -0.964 1.00 53.33 H new ATOM 0 HD2 HIS A 28 21.768 15.848 0.348 1.00 43.11 H new ATOM 0 HE1 HIS A 28 25.119 18.196 -0.751 1.00 24.44 H new ATOM 0 HE2 HIS A 28 22.863 18.149 0.524 1.00 34.22 H new ATOM 389 N LEU A 29 20.828 13.905 -3.267 1.00 24.41 N ATOM 390 CA LEU A 29 19.615 14.552 -3.736 1.00 31.31 C ATOM 391 C LEU A 29 18.952 15.289 -2.571 1.00 5.54 C ATOM 392 O LEU A 29 19.377 15.155 -1.424 1.00 62.32 O ATOM 393 CB LEU A 29 18.698 13.538 -4.423 1.00 32.44 C ATOM 394 CG LEU A 29 17.778 14.095 -5.511 1.00 34.43 C ATOM 395 CD1 LEU A 29 16.414 14.478 -4.932 1.00 60.32 C ATOM 396 CD2 LEU A 29 18.439 15.264 -6.242 1.00 51.33 C ATOM 0 H LEU A 29 20.702 12.946 -2.942 1.00 24.41 H new ATOM 0 HA LEU A 29 19.851 15.299 -4.494 1.00 31.31 H new ATOM 0 HB2 LEU A 29 19.318 12.758 -4.864 1.00 32.44 H new ATOM 0 HB3 LEU A 29 18.080 13.062 -3.661 1.00 32.44 H new ATOM 0 HG LEU A 29 17.606 13.311 -6.248 1.00 34.43 H new ATOM 0 HD11 LEU A 29 15.779 14.871 -5.726 1.00 60.32 H new ATOM 0 HD12 LEU A 29 15.944 13.597 -4.494 1.00 60.32 H new ATOM 0 HD13 LEU A 29 16.546 15.239 -4.163 1.00 60.32 H new ATOM 0 HD21 LEU A 29 17.764 15.641 -7.010 1.00 51.33 H new ATOM 0 HD22 LEU A 29 18.660 16.060 -5.531 1.00 51.33 H new ATOM 0 HD23 LEU A 29 19.365 14.926 -6.707 1.00 51.33 H new ATOM 408 N ASP A 30 17.923 16.053 -2.904 1.00 54.24 N ATOM 409 CA ASP A 30 17.197 16.812 -1.900 1.00 43.50 C ATOM 410 C ASP A 30 15.783 17.100 -2.407 1.00 52.23 C ATOM 411 O ASP A 30 15.481 16.872 -3.578 1.00 31.03 O ATOM 412 CB ASP A 30 17.882 18.152 -1.622 1.00 55.41 C ATOM 413 CG ASP A 30 19.403 18.083 -1.473 1.00 53.00 C ATOM 414 OD1 ASP A 30 19.954 18.385 -0.404 1.00 61.12 O ATOM 415 OD2 ASP A 30 20.037 17.695 -2.527 1.00 74.52 O ATOM 0 H ASP A 30 17.574 16.163 -3.856 1.00 54.24 H new ATOM 0 HA ASP A 30 17.172 16.222 -0.984 1.00 43.50 H new ATOM 0 HB2 ASP A 30 17.642 18.840 -2.433 1.00 55.41 H new ATOM 0 HB3 ASP A 30 17.462 18.575 -0.710 1.00 55.41 H new ATOM 421 N VAL A 31 14.953 17.597 -1.501 1.00 44.05 N ATOM 422 CA VAL A 31 13.578 17.918 -1.843 1.00 11.35 C ATOM 423 C VAL A 31 13.157 19.190 -1.103 1.00 45.12 C ATOM 424 O VAL A 31 13.536 19.397 0.049 1.00 62.33 O ATOM 425 CB VAL A 31 12.671 16.724 -1.540 1.00 61.43 C ATOM 426 CG1 VAL A 31 11.201 17.078 -1.773 1.00 1.53 C ATOM 427 CG2 VAL A 31 13.078 15.503 -2.368 1.00 42.13 C ATOM 0 H VAL A 31 15.207 17.785 -0.531 1.00 44.05 H new ATOM 0 HA VAL A 31 13.487 18.117 -2.911 1.00 11.35 H new ATOM 0 HB VAL A 31 12.792 16.471 -0.487 1.00 61.43 H new ATOM 0 HG11 VAL A 31 10.578 16.212 -1.550 1.00 1.53 H new ATOM 0 HG12 VAL A 31 10.918 17.905 -1.122 1.00 1.53 H new ATOM 0 HG13 VAL A 31 11.058 17.370 -2.813 1.00 1.53 H new ATOM 0 HG21 VAL A 31 12.418 14.668 -2.134 1.00 42.13 H new ATOM 0 HG22 VAL A 31 13.000 15.741 -3.429 1.00 42.13 H new ATOM 0 HG23 VAL A 31 14.106 15.230 -2.132 1.00 42.13 H new ATOM 437 N VAL A 32 12.380 20.009 -1.796 1.00 1.41 N ATOM 438 CA VAL A 32 11.904 21.255 -1.219 1.00 41.34 C ATOM 439 C VAL A 32 10.440 21.467 -1.611 1.00 21.33 C ATOM 440 O VAL A 32 10.082 21.339 -2.780 1.00 51.34 O ATOM 441 CB VAL A 32 12.811 22.411 -1.649 1.00 75.30 C ATOM 442 CG1 VAL A 32 12.738 23.566 -0.648 1.00 60.33 C ATOM 443 CG2 VAL A 32 14.253 21.936 -1.835 1.00 70.20 C ATOM 0 H VAL A 32 12.068 19.834 -2.751 1.00 1.41 H new ATOM 0 HA VAL A 32 11.947 21.213 -0.131 1.00 41.34 H new ATOM 0 HB VAL A 32 12.453 22.778 -2.611 1.00 75.30 H new ATOM 0 HG11 VAL A 32 13.391 24.374 -0.977 1.00 60.33 H new ATOM 0 HG12 VAL A 32 11.713 23.930 -0.587 1.00 60.33 H new ATOM 0 HG13 VAL A 32 13.058 23.217 0.334 1.00 60.33 H new ATOM 0 HG21 VAL A 32 14.876 22.776 -2.140 1.00 70.20 H new ATOM 0 HG22 VAL A 32 14.626 21.530 -0.895 1.00 70.20 H new ATOM 0 HG23 VAL A 32 14.285 21.163 -2.602 1.00 70.20 H new ATOM 453 N LYS A 33 9.633 21.786 -0.609 1.00 45.23 N ATOM 454 CA LYS A 33 8.216 22.016 -0.834 1.00 45.50 C ATOM 455 C LYS A 33 8.021 23.401 -1.455 1.00 45.11 C ATOM 456 O LYS A 33 6.918 23.748 -1.874 1.00 21.22 O ATOM 457 CB LYS A 33 7.428 21.806 0.460 1.00 13.30 C ATOM 458 CG LYS A 33 7.820 22.842 1.516 1.00 62.22 C ATOM 459 CD LYS A 33 7.021 22.641 2.805 1.00 71.32 C ATOM 460 CE LYS A 33 5.531 22.901 2.572 1.00 22.33 C ATOM 461 NZ LYS A 33 4.836 21.645 2.211 1.00 21.23 N ATOM 0 H LYS A 33 9.934 21.890 0.360 1.00 45.23 H new ATOM 0 HA LYS A 33 7.820 21.290 -1.543 1.00 45.50 H new ATOM 0 HB2 LYS A 33 6.360 21.877 0.255 1.00 13.30 H new ATOM 0 HB3 LYS A 33 7.613 20.803 0.844 1.00 13.30 H new ATOM 0 HG2 LYS A 33 8.886 22.764 1.729 1.00 62.22 H new ATOM 0 HG3 LYS A 33 7.645 23.846 1.128 1.00 62.22 H new ATOM 0 HD2 LYS A 33 7.164 21.624 3.171 1.00 71.32 H new ATOM 0 HD3 LYS A 33 7.395 23.313 3.577 1.00 71.32 H new ATOM 0 HE2 LYS A 33 5.085 23.325 3.472 1.00 22.33 H new ATOM 0 HE3 LYS A 33 5.404 23.635 1.777 1.00 22.33 H new ATOM 0 HZ1 LYS A 33 4.448 21.727 1.250 1.00 21.23 H new ATOM 0 HZ2 LYS A 33 5.509 20.853 2.246 1.00 21.23 H new ATOM 0 HZ3 LYS A 33 4.062 21.471 2.883 1.00 21.23 H new ATOM 474 N GLY A 34 9.110 24.155 -1.495 1.00 41.21 N ATOM 475 CA GLY A 34 9.073 25.494 -2.058 1.00 53.20 C ATOM 476 C GLY A 34 10.285 26.312 -1.608 1.00 40.23 C ATOM 477 O GLY A 34 11.138 26.663 -2.422 1.00 51.31 O ATOM 0 H GLY A 34 10.023 23.864 -1.147 1.00 41.21 H new ATOM 0 HA2 GLY A 34 9.054 25.434 -3.146 1.00 53.20 H new ATOM 0 HA3 GLY A 34 8.156 25.997 -1.750 1.00 53.20 H new ATOM 481 N ASP A 35 10.323 26.592 -0.314 1.00 31.22 N ATOM 482 CA ASP A 35 11.417 27.362 0.254 1.00 74.21 C ATOM 483 C ASP A 35 11.864 26.714 1.566 1.00 71.44 C ATOM 484 O ASP A 35 12.495 27.362 2.399 1.00 35.02 O ATOM 485 CB ASP A 35 10.980 28.796 0.560 1.00 32.30 C ATOM 486 CG ASP A 35 9.732 28.918 1.438 1.00 44.45 C ATOM 487 OD1 ASP A 35 9.751 28.566 2.626 1.00 34.12 O ATOM 488 OD2 ASP A 35 8.695 29.406 0.845 1.00 2.04 O ATOM 0 H ASP A 35 9.614 26.299 0.358 1.00 31.22 H new ATOM 0 HA ASP A 35 12.230 27.379 -0.472 1.00 74.21 H new ATOM 0 HB2 ASP A 35 11.804 29.314 1.051 1.00 32.30 H new ATOM 0 HB3 ASP A 35 10.795 29.312 -0.382 1.00 32.30 H new ATOM 494 N LYS A 36 11.520 25.442 1.708 1.00 70.04 N ATOM 495 CA LYS A 36 11.878 24.699 2.904 1.00 63.13 C ATOM 496 C LYS A 36 12.272 23.273 2.514 1.00 33.41 C ATOM 497 O LYS A 36 11.492 22.560 1.884 1.00 50.03 O ATOM 498 CB LYS A 36 10.749 24.766 3.934 1.00 23.42 C ATOM 499 CG LYS A 36 10.756 23.529 4.835 1.00 14.13 C ATOM 500 CD LYS A 36 9.712 23.655 5.947 1.00 52.32 C ATOM 501 CE LYS A 36 9.137 22.287 6.317 1.00 73.42 C ATOM 502 NZ LYS A 36 8.353 22.375 7.569 1.00 53.20 N ATOM 0 H LYS A 36 10.997 24.907 1.014 1.00 70.04 H new ATOM 0 HA LYS A 36 12.745 25.149 3.387 1.00 63.13 H new ATOM 0 HB2 LYS A 36 10.859 25.664 4.542 1.00 23.42 H new ATOM 0 HB3 LYS A 36 9.789 24.843 3.423 1.00 23.42 H new ATOM 0 HG2 LYS A 36 10.552 22.639 4.239 1.00 14.13 H new ATOM 0 HG3 LYS A 36 11.746 23.399 5.273 1.00 14.13 H new ATOM 0 HD2 LYS A 36 10.166 24.113 6.826 1.00 52.32 H new ATOM 0 HD3 LYS A 36 8.908 24.316 5.623 1.00 52.32 H new ATOM 0 HE2 LYS A 36 8.503 21.922 5.509 1.00 73.42 H new ATOM 0 HE3 LYS A 36 9.946 21.567 6.438 1.00 73.42 H new ATOM 0 HZ1 LYS A 36 7.970 21.437 7.805 1.00 53.20 H new ATOM 0 HZ2 LYS A 36 8.968 22.703 8.341 1.00 53.20 H new ATOM 0 HZ3 LYS A 36 7.569 23.047 7.441 1.00 53.20 H new ATOM 515 N LEU A 37 13.481 22.899 2.906 1.00 71.54 N ATOM 516 CA LEU A 37 13.987 21.570 2.605 1.00 2.11 C ATOM 517 C LEU A 37 13.137 20.528 3.334 1.00 74.11 C ATOM 518 O LEU A 37 13.064 20.529 4.562 1.00 52.43 O ATOM 519 CB LEU A 37 15.480 21.480 2.928 1.00 41.12 C ATOM 520 CG LEU A 37 16.208 20.244 2.395 1.00 1.31 C ATOM 521 CD1 LEU A 37 15.602 18.962 2.968 1.00 24.41 C ATOM 522 CD2 LEU A 37 16.227 20.236 0.865 1.00 34.23 C ATOM 0 H LEU A 37 14.125 23.492 3.429 1.00 71.54 H new ATOM 0 HA LEU A 37 13.901 21.362 1.538 1.00 2.11 H new ATOM 0 HB2 LEU A 37 15.972 22.367 2.529 1.00 41.12 H new ATOM 0 HB3 LEU A 37 15.600 21.509 4.011 1.00 41.12 H new ATOM 0 HG LEU A 37 17.245 20.287 2.729 1.00 1.31 H new ATOM 0 HD11 LEU A 37 16.137 18.098 2.573 1.00 24.41 H new ATOM 0 HD12 LEU A 37 15.685 18.975 4.055 1.00 24.41 H new ATOM 0 HD13 LEU A 37 14.551 18.898 2.685 1.00 24.41 H new ATOM 0 HD21 LEU A 37 16.750 19.347 0.512 1.00 34.23 H new ATOM 0 HD22 LEU A 37 15.204 20.228 0.488 1.00 34.23 H new ATOM 0 HD23 LEU A 37 16.740 21.127 0.503 1.00 34.23 H new ATOM 534 N ILE A 38 12.514 19.663 2.546 1.00 24.03 N ATOM 535 CA ILE A 38 11.672 18.617 3.101 1.00 13.52 C ATOM 536 C ILE A 38 12.554 17.487 3.634 1.00 33.42 C ATOM 537 O ILE A 38 12.681 17.312 4.845 1.00 5.30 O ATOM 538 CB ILE A 38 10.639 18.158 2.070 1.00 11.01 C ATOM 539 CG1 ILE A 38 9.819 19.341 1.551 1.00 34.21 C ATOM 540 CG2 ILE A 38 9.750 17.050 2.640 1.00 45.41 C ATOM 541 CD1 ILE A 38 8.908 19.899 2.647 1.00 43.43 C ATOM 0 H ILE A 38 12.576 19.666 1.528 1.00 24.03 H new ATOM 0 HA ILE A 38 11.098 18.998 3.946 1.00 13.52 H new ATOM 0 HB ILE A 38 11.171 17.737 1.217 1.00 11.01 H new ATOM 0 HG12 ILE A 38 10.489 20.124 1.196 1.00 34.21 H new ATOM 0 HG13 ILE A 38 9.217 19.025 0.699 1.00 34.21 H new ATOM 0 HG21 ILE A 38 9.025 16.742 1.887 1.00 45.41 H new ATOM 0 HG22 ILE A 38 10.367 16.196 2.920 1.00 45.41 H new ATOM 0 HG23 ILE A 38 9.224 17.422 3.520 1.00 45.41 H new ATOM 0 HD11 ILE A 38 8.336 20.739 2.252 1.00 43.43 H new ATOM 0 HD12 ILE A 38 8.224 19.120 2.983 1.00 43.43 H new ATOM 0 HD13 ILE A 38 9.515 20.236 3.488 1.00 43.43 H new ATOM 553 N GLU A 39 13.139 16.747 2.704 1.00 44.44 N ATOM 554 CA GLU A 39 14.006 15.638 3.065 1.00 53.14 C ATOM 555 C GLU A 39 15.287 15.672 2.229 1.00 23.15 C ATOM 556 O GLU A 39 15.515 16.615 1.473 1.00 74.31 O ATOM 557 CB GLU A 39 13.281 14.301 2.902 1.00 34.31 C ATOM 558 CG GLU A 39 13.264 13.861 1.437 1.00 75.32 C ATOM 559 CD GLU A 39 12.237 12.749 1.210 1.00 21.22 C ATOM 560 OE1 GLU A 39 12.440 11.615 1.669 1.00 63.34 O ATOM 561 OE2 GLU A 39 11.197 13.097 0.531 1.00 11.24 O ATOM 0 H GLU A 39 13.030 16.894 1.701 1.00 44.44 H new ATOM 0 HA GLU A 39 14.278 15.741 4.115 1.00 53.14 H new ATOM 0 HB2 GLU A 39 13.773 13.540 3.508 1.00 34.31 H new ATOM 0 HB3 GLU A 39 12.259 14.390 3.270 1.00 34.31 H new ATOM 0 HG2 GLU A 39 13.029 14.714 0.800 1.00 75.32 H new ATOM 0 HG3 GLU A 39 14.255 13.511 1.147 1.00 75.32 H new ATOM 569 N LYS A 40 16.091 14.632 2.395 1.00 21.20 N ATOM 570 CA LYS A 40 17.344 14.531 1.666 1.00 71.42 C ATOM 571 C LYS A 40 17.552 13.083 1.216 1.00 54.23 C ATOM 572 O LYS A 40 17.044 12.155 1.843 1.00 13.24 O ATOM 573 CB LYS A 40 18.498 15.086 2.503 1.00 33.24 C ATOM 574 CG LYS A 40 19.499 15.840 1.626 1.00 60.21 C ATOM 575 CD LYS A 40 20.696 16.321 2.449 1.00 54.10 C ATOM 576 CE LYS A 40 20.241 16.905 3.788 1.00 53.52 C ATOM 577 NZ LYS A 40 21.401 17.417 4.551 1.00 51.10 N ATOM 0 H LYS A 40 15.899 13.852 3.024 1.00 21.20 H new ATOM 0 HA LYS A 40 17.311 15.144 0.765 1.00 71.42 H new ATOM 0 HB2 LYS A 40 18.107 15.754 3.271 1.00 33.24 H new ATOM 0 HB3 LYS A 40 19.004 14.269 3.018 1.00 33.24 H new ATOM 0 HG2 LYS A 40 19.844 15.191 0.821 1.00 60.21 H new ATOM 0 HG3 LYS A 40 19.008 16.694 1.159 1.00 60.21 H new ATOM 0 HD2 LYS A 40 21.379 15.490 2.624 1.00 54.10 H new ATOM 0 HD3 LYS A 40 21.248 17.075 1.888 1.00 54.10 H new ATOM 0 HE2 LYS A 40 19.527 17.710 3.616 1.00 53.52 H new ATOM 0 HE3 LYS A 40 19.725 16.140 4.369 1.00 53.52 H new ATOM 0 HZ1 LYS A 40 21.075 17.810 5.457 1.00 51.10 H new ATOM 0 HZ2 LYS A 40 22.068 16.640 4.731 1.00 51.10 H new ATOM 0 HZ3 LYS A 40 21.876 18.162 4.002 1.00 51.10 H new ATOM 590 N LEU A 41 18.299 12.936 0.132 1.00 60.42 N ATOM 591 CA LEU A 41 18.580 11.617 -0.410 1.00 21.24 C ATOM 592 C LEU A 41 20.007 11.590 -0.961 1.00 50.32 C ATOM 593 O LEU A 41 20.622 12.638 -1.152 1.00 3.22 O ATOM 594 CB LEU A 41 17.517 11.221 -1.436 1.00 14.21 C ATOM 595 CG LEU A 41 16.124 11.818 -1.223 1.00 31.13 C ATOM 596 CD1 LEU A 41 15.364 11.922 -2.546 1.00 53.22 C ATOM 597 CD2 LEU A 41 15.342 11.025 -0.174 1.00 22.34 C ATOM 0 H LEU A 41 18.718 13.708 -0.386 1.00 60.42 H new ATOM 0 HA LEU A 41 18.527 10.864 0.376 1.00 21.24 H new ATOM 0 HB2 LEU A 41 17.869 11.514 -2.425 1.00 14.21 H new ATOM 0 HB3 LEU A 41 17.429 10.135 -1.437 1.00 14.21 H new ATOM 0 HG LEU A 41 16.242 12.831 -0.839 1.00 31.13 H new ATOM 0 HD11 LEU A 41 14.377 12.349 -2.366 1.00 53.22 H new ATOM 0 HD12 LEU A 41 15.917 12.562 -3.234 1.00 53.22 H new ATOM 0 HD13 LEU A 41 15.255 10.929 -2.982 1.00 53.22 H new ATOM 0 HD21 LEU A 41 14.356 11.470 -0.042 1.00 22.34 H new ATOM 0 HD22 LEU A 41 15.232 9.992 -0.506 1.00 22.34 H new ATOM 0 HD23 LEU A 41 15.880 11.047 0.774 1.00 22.34 H new ATOM 609 N ILE A 42 20.492 10.381 -1.202 1.00 73.02 N ATOM 610 CA ILE A 42 21.835 10.204 -1.728 1.00 54.12 C ATOM 611 C ILE A 42 21.752 9.800 -3.201 1.00 75.44 C ATOM 612 O ILE A 42 20.788 9.160 -3.620 1.00 14.12 O ATOM 613 CB ILE A 42 22.623 9.219 -0.863 1.00 62.33 C ATOM 614 CG1 ILE A 42 23.007 9.850 0.477 1.00 53.15 C ATOM 615 CG2 ILE A 42 23.844 8.684 -1.615 1.00 52.24 C ATOM 616 CD1 ILE A 42 21.777 10.421 1.186 1.00 70.14 C ATOM 0 H ILE A 42 19.979 9.514 -1.043 1.00 73.02 H new ATOM 0 HA ILE A 42 22.388 11.142 -1.686 1.00 54.12 H new ATOM 0 HB ILE A 42 21.980 8.367 -0.645 1.00 62.33 H new ATOM 0 HG12 ILE A 42 23.483 9.103 1.112 1.00 53.15 H new ATOM 0 HG13 ILE A 42 23.738 10.642 0.314 1.00 53.15 H new ATOM 0 HG21 ILE A 42 24.387 7.986 -0.978 1.00 52.24 H new ATOM 0 HG22 ILE A 42 23.518 8.171 -2.520 1.00 52.24 H new ATOM 0 HG23 ILE A 42 24.498 9.514 -1.884 1.00 52.24 H new ATOM 0 HD11 ILE A 42 22.077 10.864 2.136 1.00 70.14 H new ATOM 0 HD12 ILE A 42 21.317 11.185 0.559 1.00 70.14 H new ATOM 0 HD13 ILE A 42 21.059 9.622 1.369 1.00 70.14 H new ATOM 628 N ILE A 43 22.775 10.189 -3.948 1.00 13.05 N ATOM 629 CA ILE A 43 22.830 9.875 -5.365 1.00 74.11 C ATOM 630 C ILE A 43 24.274 9.558 -5.757 1.00 60.43 C ATOM 631 O ILE A 43 24.608 9.532 -6.941 1.00 4.43 O ATOM 632 CB ILE A 43 22.202 11.002 -6.188 1.00 62.22 C ATOM 633 CG1 ILE A 43 22.810 12.356 -5.817 1.00 65.12 C ATOM 634 CG2 ILE A 43 20.679 11.000 -6.048 1.00 54.24 C ATOM 635 CD1 ILE A 43 23.780 12.836 -6.899 1.00 1.32 C ATOM 0 H ILE A 43 23.573 10.719 -3.598 1.00 13.05 H new ATOM 0 HA ILE A 43 22.238 8.986 -5.582 1.00 74.11 H new ATOM 0 HB ILE A 43 22.429 10.824 -7.239 1.00 62.22 H new ATOM 0 HG12 ILE A 43 22.016 13.091 -5.683 1.00 65.12 H new ATOM 0 HG13 ILE A 43 23.333 12.275 -4.864 1.00 65.12 H new ATOM 0 HG21 ILE A 43 20.258 11.811 -6.643 1.00 54.24 H new ATOM 0 HG22 ILE A 43 20.283 10.048 -6.400 1.00 54.24 H new ATOM 0 HG23 ILE A 43 20.410 11.140 -5.001 1.00 54.24 H new ATOM 0 HD11 ILE A 43 24.198 13.800 -6.611 1.00 1.32 H new ATOM 0 HD12 ILE A 43 24.586 12.111 -7.013 1.00 1.32 H new ATOM 0 HD13 ILE A 43 23.248 12.939 -7.845 1.00 1.32 H new ATOM 647 N ASP A 44 25.091 9.323 -4.741 1.00 45.53 N ATOM 648 CA ASP A 44 26.492 9.009 -4.965 1.00 23.10 C ATOM 649 C ASP A 44 26.732 7.528 -4.665 1.00 21.12 C ATOM 650 O ASP A 44 27.633 7.184 -3.902 1.00 22.55 O ATOM 651 CB ASP A 44 27.395 9.830 -4.043 1.00 3.41 C ATOM 652 CG ASP A 44 27.216 9.554 -2.549 1.00 3.33 C ATOM 653 OD1 ASP A 44 27.741 8.566 -2.014 1.00 43.14 O ATOM 654 OD2 ASP A 44 26.493 10.416 -1.918 1.00 11.21 O ATOM 0 H ASP A 44 24.810 9.344 -3.761 1.00 45.53 H new ATOM 0 HA ASP A 44 26.728 9.243 -6.003 1.00 23.10 H new ATOM 0 HB2 ASP A 44 28.434 9.637 -4.311 1.00 3.41 H new ATOM 0 HB3 ASP A 44 27.210 10.888 -4.226 1.00 3.41 H new ATOM 660 N GLU A 45 25.910 6.691 -5.281 1.00 11.41 N ATOM 661 CA GLU A 45 26.021 5.255 -5.089 1.00 43.42 C ATOM 662 C GLU A 45 25.846 4.527 -6.423 1.00 63.41 C ATOM 663 O GLU A 45 26.630 3.640 -6.758 1.00 24.04 O ATOM 664 CB GLU A 45 25.007 4.760 -4.057 1.00 21.25 C ATOM 665 CG GLU A 45 24.683 5.854 -3.038 1.00 15.13 C ATOM 666 CD GLU A 45 24.207 5.249 -1.715 1.00 64.43 C ATOM 667 OE1 GLU A 45 24.835 4.310 -1.202 1.00 42.51 O ATOM 668 OE2 GLU A 45 23.146 5.788 -1.219 1.00 31.11 O ATOM 0 H GLU A 45 25.164 6.980 -5.914 1.00 11.41 H new ATOM 0 HA GLU A 45 27.017 5.035 -4.705 1.00 43.42 H new ATOM 0 HB2 GLU A 45 24.093 4.446 -4.561 1.00 21.25 H new ATOM 0 HB3 GLU A 45 25.404 3.885 -3.543 1.00 21.25 H new ATOM 0 HG2 GLU A 45 25.567 6.467 -2.864 1.00 15.13 H new ATOM 0 HG3 GLU A 45 23.912 6.512 -3.439 1.00 15.13 H new ATOM 676 N LYS A 46 24.813 4.928 -7.149 1.00 31.41 N ATOM 677 CA LYS A 46 24.525 4.324 -8.439 1.00 20.22 C ATOM 678 C LYS A 46 24.713 5.369 -9.540 1.00 12.42 C ATOM 679 O LYS A 46 25.158 6.484 -9.272 1.00 51.54 O ATOM 680 CB LYS A 46 23.137 3.681 -8.431 1.00 73.15 C ATOM 681 CG LYS A 46 22.120 4.579 -7.724 1.00 2.12 C ATOM 682 CD LYS A 46 21.912 5.885 -8.494 1.00 62.41 C ATOM 683 CE LYS A 46 22.505 7.071 -7.732 1.00 43.30 C ATOM 684 NZ LYS A 46 21.843 8.331 -8.138 1.00 13.14 N ATOM 0 H LYS A 46 24.165 5.664 -6.869 1.00 31.41 H new ATOM 0 HA LYS A 46 25.225 3.514 -8.646 1.00 20.22 H new ATOM 0 HB2 LYS A 46 22.813 3.495 -9.455 1.00 73.15 H new ATOM 0 HB3 LYS A 46 23.183 2.714 -7.930 1.00 73.15 H new ATOM 0 HG2 LYS A 46 21.170 4.053 -7.629 1.00 2.12 H new ATOM 0 HG3 LYS A 46 22.465 4.799 -6.714 1.00 2.12 H new ATOM 0 HD2 LYS A 46 22.378 5.810 -9.477 1.00 62.41 H new ATOM 0 HD3 LYS A 46 20.847 6.049 -8.658 1.00 62.41 H new ATOM 0 HE2 LYS A 46 22.384 6.919 -6.659 1.00 43.30 H new ATOM 0 HE3 LYS A 46 23.576 7.137 -7.926 1.00 43.30 H new ATOM 0 HZ1 LYS A 46 22.540 9.102 -8.147 1.00 13.14 H new ATOM 0 HZ2 LYS A 46 21.438 8.220 -9.090 1.00 13.14 H new ATOM 0 HZ3 LYS A 46 21.084 8.558 -7.464 1.00 13.14 H new ATOM 697 N LYS A 47 24.364 4.972 -10.755 1.00 11.24 N ATOM 698 CA LYS A 47 24.488 5.861 -11.897 1.00 44.13 C ATOM 699 C LYS A 47 23.103 6.111 -12.497 1.00 21.20 C ATOM 700 O LYS A 47 22.966 6.864 -13.460 1.00 1.14 O ATOM 701 CB LYS A 47 25.502 5.306 -12.900 1.00 73.12 C ATOM 702 CG LYS A 47 25.587 3.781 -12.806 1.00 52.14 C ATOM 703 CD LYS A 47 24.355 3.124 -13.433 1.00 24.41 C ATOM 704 CE LYS A 47 23.755 2.076 -12.493 1.00 1.42 C ATOM 705 NZ LYS A 47 23.431 0.838 -13.236 1.00 2.03 N ATOM 0 H LYS A 47 23.995 4.046 -10.973 1.00 11.24 H new ATOM 0 HA LYS A 47 24.880 6.829 -11.585 1.00 44.13 H new ATOM 0 HB2 LYS A 47 25.215 5.596 -13.911 1.00 73.12 H new ATOM 0 HB3 LYS A 47 26.483 5.741 -12.709 1.00 73.12 H new ATOM 0 HG2 LYS A 47 26.487 3.431 -13.312 1.00 52.14 H new ATOM 0 HG3 LYS A 47 25.671 3.481 -11.761 1.00 52.14 H new ATOM 0 HD2 LYS A 47 23.608 3.885 -13.659 1.00 24.41 H new ATOM 0 HD3 LYS A 47 24.629 2.656 -14.378 1.00 24.41 H new ATOM 0 HE2 LYS A 47 24.459 1.852 -11.691 1.00 1.42 H new ATOM 0 HE3 LYS A 47 22.854 2.472 -12.025 1.00 1.42 H new ATOM 0 HZ1 LYS A 47 22.401 0.698 -13.244 1.00 2.03 H new ATOM 0 HZ2 LYS A 47 23.777 0.919 -14.213 1.00 2.03 H new ATOM 0 HZ3 LYS A 47 23.887 0.026 -12.773 1.00 2.03 H new ATOM 718 N TYR A 48 22.111 5.464 -11.903 1.00 10.21 N ATOM 719 CA TYR A 48 20.741 5.607 -12.366 1.00 62.34 C ATOM 720 C TYR A 48 19.750 5.139 -11.299 1.00 73.10 C ATOM 721 O TYR A 48 19.832 4.007 -10.824 1.00 54.20 O ATOM 722 CB TYR A 48 20.615 4.702 -13.594 1.00 2.21 C ATOM 723 CG TYR A 48 19.900 3.378 -13.320 1.00 71.31 C ATOM 724 CD1 TYR A 48 18.558 3.372 -12.997 1.00 60.01 C ATOM 725 CD2 TYR A 48 20.596 2.189 -13.396 1.00 24.30 C ATOM 726 CE1 TYR A 48 17.885 2.125 -12.739 1.00 52.43 C ATOM 727 CE2 TYR A 48 19.923 0.942 -13.138 1.00 41.23 C ATOM 728 CZ TYR A 48 18.601 0.972 -12.823 1.00 14.03 C ATOM 729 OH TYR A 48 17.965 -0.205 -12.579 1.00 73.33 O ATOM 0 H TYR A 48 22.229 4.839 -11.105 1.00 10.21 H new ATOM 0 HA TYR A 48 20.518 6.650 -12.590 1.00 62.34 H new ATOM 0 HB2 TYR A 48 20.077 5.239 -14.375 1.00 2.21 H new ATOM 0 HB3 TYR A 48 21.612 4.491 -13.981 1.00 2.21 H new ATOM 0 HD1 TYR A 48 18.013 4.302 -12.938 1.00 60.01 H new ATOM 0 HD2 TYR A 48 21.646 2.193 -13.649 1.00 24.30 H new ATOM 0 HE1 TYR A 48 16.836 2.106 -12.485 1.00 52.43 H new ATOM 0 HE2 TYR A 48 20.456 0.005 -13.194 1.00 41.23 H new ATOM 0 HH TYR A 48 18.599 -0.946 -12.676 1.00 73.33 H new ATOM 739 N TYR A 49 18.836 6.034 -10.953 1.00 71.42 N ATOM 740 CA TYR A 49 17.830 5.727 -9.951 1.00 33.32 C ATOM 741 C TYR A 49 16.421 5.822 -10.541 1.00 1.25 C ATOM 742 O TYR A 49 16.257 5.891 -11.758 1.00 22.04 O ATOM 743 CB TYR A 49 17.985 6.787 -8.859 1.00 24.13 C ATOM 744 CG TYR A 49 18.708 6.288 -7.606 1.00 2.11 C ATOM 745 CD1 TYR A 49 18.505 4.998 -7.160 1.00 4.13 C ATOM 746 CD2 TYR A 49 19.563 7.128 -6.922 1.00 2.52 C ATOM 747 CE1 TYR A 49 19.186 4.529 -5.981 1.00 33.35 C ATOM 748 CE2 TYR A 49 20.243 6.659 -5.743 1.00 5.13 C ATOM 749 CZ TYR A 49 20.021 5.382 -5.330 1.00 41.42 C ATOM 750 OH TYR A 49 20.664 4.939 -4.217 1.00 14.15 O ATOM 0 H TYR A 49 18.771 6.972 -11.349 1.00 71.42 H new ATOM 0 HA TYR A 49 17.963 4.714 -9.572 1.00 33.32 H new ATOM 0 HB2 TYR A 49 18.532 7.637 -9.267 1.00 24.13 H new ATOM 0 HB3 TYR A 49 16.997 7.149 -8.576 1.00 24.13 H new ATOM 0 HD1 TYR A 49 17.836 4.340 -7.695 1.00 4.13 H new ATOM 0 HD2 TYR A 49 19.722 8.138 -7.271 1.00 2.52 H new ATOM 0 HE1 TYR A 49 19.037 3.522 -5.622 1.00 33.35 H new ATOM 0 HE2 TYR A 49 20.914 7.306 -5.199 1.00 5.13 H new ATOM 0 HH TYR A 49 21.228 5.656 -3.858 1.00 14.15 H new ATOM 760 N LEU A 50 15.440 5.823 -9.650 1.00 2.40 N ATOM 761 CA LEU A 50 14.051 5.909 -10.067 1.00 11.30 C ATOM 762 C LEU A 50 13.343 6.990 -9.248 1.00 11.23 C ATOM 763 O LEU A 50 13.931 7.566 -8.334 1.00 11.33 O ATOM 764 CB LEU A 50 13.381 4.536 -9.983 1.00 54.45 C ATOM 765 CG LEU A 50 13.878 3.485 -10.978 1.00 5.35 C ATOM 766 CD1 LEU A 50 14.832 2.499 -10.301 1.00 5.22 C ATOM 767 CD2 LEU A 50 12.706 2.774 -11.657 1.00 3.42 C ATOM 0 H LEU A 50 15.580 5.766 -8.641 1.00 2.40 H new ATOM 0 HA LEU A 50 13.985 6.207 -11.113 1.00 11.30 H new ATOM 0 HB2 LEU A 50 13.520 4.147 -8.974 1.00 54.45 H new ATOM 0 HB3 LEU A 50 12.309 4.667 -10.129 1.00 54.45 H new ATOM 0 HG LEU A 50 14.441 3.994 -11.760 1.00 5.35 H new ATOM 0 HD11 LEU A 50 15.171 1.762 -11.029 1.00 5.22 H new ATOM 0 HD12 LEU A 50 15.692 3.039 -9.904 1.00 5.22 H new ATOM 0 HD13 LEU A 50 14.314 1.992 -9.487 1.00 5.22 H new ATOM 0 HD21 LEU A 50 13.088 2.032 -12.359 1.00 3.42 H new ATOM 0 HD22 LEU A 50 12.095 2.279 -10.903 1.00 3.42 H new ATOM 0 HD23 LEU A 50 12.100 3.503 -12.194 1.00 3.42 H new ATOM 779 N PHE A 51 12.090 7.233 -9.605 1.00 23.23 N ATOM 780 CA PHE A 51 11.296 8.234 -8.914 1.00 11.40 C ATOM 781 C PHE A 51 9.812 8.092 -9.260 1.00 43.02 C ATOM 782 O PHE A 51 9.394 8.430 -10.366 1.00 42.15 O ATOM 783 CB PHE A 51 11.789 9.602 -9.389 1.00 43.43 C ATOM 784 CG PHE A 51 12.826 10.245 -8.466 1.00 2.21 C ATOM 785 CD1 PHE A 51 12.439 10.783 -7.278 1.00 75.13 C ATOM 786 CD2 PHE A 51 14.135 10.279 -8.833 1.00 23.04 C ATOM 787 CE1 PHE A 51 13.401 11.380 -6.421 1.00 72.43 C ATOM 788 CE2 PHE A 51 15.098 10.876 -7.976 1.00 34.34 C ATOM 789 CZ PHE A 51 14.710 11.413 -6.788 1.00 51.40 C ATOM 0 H PHE A 51 11.606 6.754 -10.364 1.00 23.23 H new ATOM 0 HA PHE A 51 11.403 8.114 -7.836 1.00 11.40 H new ATOM 0 HB2 PHE A 51 12.220 9.496 -10.384 1.00 43.43 H new ATOM 0 HB3 PHE A 51 10.935 10.273 -9.481 1.00 43.43 H new ATOM 0 HD1 PHE A 51 11.399 10.756 -6.986 1.00 75.13 H new ATOM 0 HD2 PHE A 51 14.443 9.852 -9.776 1.00 23.04 H new ATOM 0 HE1 PHE A 51 13.093 11.808 -5.478 1.00 72.43 H new ATOM 0 HE2 PHE A 51 16.138 10.903 -8.268 1.00 34.34 H new ATOM 0 HZ PHE A 51 15.442 11.866 -6.136 1.00 51.40 H new ATOM 799 N GLY A 52 9.057 7.591 -8.293 1.00 44.15 N ATOM 800 CA GLY A 52 7.629 7.400 -8.482 1.00 64.22 C ATOM 801 C GLY A 52 6.913 7.258 -7.138 1.00 12.03 C ATOM 802 O GLY A 52 6.638 8.253 -6.469 1.00 3.04 O ATOM 0 H GLY A 52 9.407 7.312 -7.377 1.00 44.15 H new ATOM 0 HA2 GLY A 52 7.215 8.245 -9.031 1.00 64.22 H new ATOM 0 HA3 GLY A 52 7.454 6.510 -9.087 1.00 64.22 H new ATOM 806 N ARG A 53 6.630 6.013 -6.782 1.00 43.43 N ATOM 807 CA ARG A 53 5.951 5.729 -5.530 1.00 31.42 C ATOM 808 C ARG A 53 6.213 4.284 -5.100 1.00 64.32 C ATOM 809 O ARG A 53 6.460 4.017 -3.925 1.00 34.10 O ATOM 810 CB ARG A 53 4.442 5.949 -5.659 1.00 25.00 C ATOM 811 CG ARG A 53 4.108 6.716 -6.940 1.00 61.31 C ATOM 812 CD ARG A 53 2.595 6.863 -7.112 1.00 11.33 C ATOM 813 NE ARG A 53 2.035 5.644 -7.737 1.00 42.20 N ATOM 814 CZ ARG A 53 0.758 5.234 -7.586 1.00 52.53 C ATOM 815 NH1 ARG A 53 -0.105 5.945 -6.828 1.00 64.43 N ATOM 816 NH2 ARG A 53 0.365 4.129 -8.191 1.00 74.00 N ATOM 0 H ARG A 53 6.859 5.190 -7.339 1.00 43.43 H new ATOM 0 HA ARG A 53 6.344 6.413 -4.778 1.00 31.42 H new ATOM 0 HB2 ARG A 53 3.930 4.987 -5.663 1.00 25.00 H new ATOM 0 HB3 ARG A 53 4.076 6.502 -4.794 1.00 25.00 H new ATOM 0 HG2 ARG A 53 4.572 7.702 -6.909 1.00 61.31 H new ATOM 0 HG3 ARG A 53 4.526 6.194 -7.800 1.00 61.31 H new ATOM 0 HD2 ARG A 53 2.126 7.033 -6.143 1.00 11.33 H new ATOM 0 HD3 ARG A 53 2.374 7.733 -7.730 1.00 11.33 H new ATOM 0 HE ARG A 53 2.653 5.078 -8.318 1.00 42.20 H new ATOM 0 HH11 ARG A 53 0.207 6.799 -6.365 1.00 64.43 H new ATOM 0 HH12 ARG A 53 -1.068 5.628 -6.719 1.00 64.43 H new ATOM 0 HH21 ARG A 53 1.023 3.599 -8.762 1.00 74.00 H new ATOM 0 HH22 ARG A 53 -0.597 3.805 -8.087 1.00 74.00 H new ATOM 829 N ASN A 54 6.152 3.389 -6.076 1.00 12.52 N ATOM 830 CA ASN A 54 6.380 1.979 -5.813 1.00 73.43 C ATOM 831 C ASN A 54 7.885 1.716 -5.735 1.00 31.42 C ATOM 832 O ASN A 54 8.588 1.806 -6.740 1.00 72.01 O ATOM 833 CB ASN A 54 5.806 1.110 -6.935 1.00 11.15 C ATOM 834 CG ASN A 54 4.866 0.041 -6.374 1.00 23.24 C ATOM 835 OD1 ASN A 54 3.720 -0.087 -6.772 1.00 43.44 O ATOM 836 ND2 ASN A 54 5.413 -0.718 -5.428 1.00 65.25 N ATOM 0 H ASN A 54 5.948 3.614 -7.050 1.00 12.52 H new ATOM 0 HA ASN A 54 5.888 1.727 -4.873 1.00 73.43 H new ATOM 0 HB2 ASN A 54 5.267 1.737 -7.646 1.00 11.15 H new ATOM 0 HB3 ASN A 54 6.619 0.633 -7.483 1.00 11.15 H new ATOM 0 HD21 ASN A 54 4.867 -1.460 -4.990 1.00 65.25 H new ATOM 0 HD22 ASN A 54 6.379 -0.558 -5.141 1.00 65.25 H new ATOM 843 N PRO A 55 8.347 1.387 -4.499 1.00 21.23 N ATOM 844 CA PRO A 55 9.756 1.110 -4.276 1.00 11.02 C ATOM 845 C PRO A 55 10.138 -0.267 -4.823 1.00 35.03 C ATOM 846 O PRO A 55 11.312 -0.539 -5.066 1.00 3.42 O ATOM 847 CB PRO A 55 9.946 1.226 -2.772 1.00 65.32 C ATOM 848 CG PRO A 55 8.558 1.103 -2.166 1.00 1.35 C ATOM 849 CD PRO A 55 7.544 1.270 -3.285 1.00 52.32 C ATOM 0 HA PRO A 55 10.410 1.806 -4.802 1.00 11.02 H new ATOM 0 HB2 PRO A 55 10.605 0.442 -2.400 1.00 65.32 H new ATOM 0 HB3 PRO A 55 10.404 2.179 -2.509 1.00 65.32 H new ATOM 0 HG2 PRO A 55 8.437 0.133 -1.683 1.00 1.35 H new ATOM 0 HG3 PRO A 55 8.408 1.862 -1.399 1.00 1.35 H new ATOM 0 HD2 PRO A 55 6.869 0.416 -3.338 1.00 52.32 H new ATOM 0 HD3 PRO A 55 6.927 2.155 -3.131 1.00 52.32 H new ATOM 857 N ASP A 56 9.123 -1.100 -5.000 1.00 55.24 N ATOM 858 CA ASP A 56 9.337 -2.442 -5.514 1.00 52.13 C ATOM 859 C ASP A 56 9.968 -2.356 -6.905 1.00 61.03 C ATOM 860 O ASP A 56 10.498 -3.343 -7.412 1.00 62.44 O ATOM 861 CB ASP A 56 8.014 -3.201 -5.641 1.00 43.45 C ATOM 862 CG ASP A 56 8.121 -4.582 -6.291 1.00 0.12 C ATOM 863 OD1 ASP A 56 9.209 -5.172 -6.362 1.00 4.13 O ATOM 864 OD2 ASP A 56 7.011 -5.059 -6.742 1.00 71.25 O ATOM 0 H ASP A 56 8.150 -0.871 -4.797 1.00 55.24 H new ATOM 0 HA ASP A 56 9.990 -2.969 -4.818 1.00 52.13 H new ATOM 0 HB2 ASP A 56 7.582 -3.316 -4.647 1.00 43.45 H new ATOM 0 HB3 ASP A 56 7.319 -2.595 -6.223 1.00 43.45 H new ATOM 870 N LEU A 57 9.891 -1.166 -7.483 1.00 35.21 N ATOM 871 CA LEU A 57 10.448 -0.938 -8.805 1.00 72.44 C ATOM 872 C LEU A 57 11.457 0.210 -8.738 1.00 60.50 C ATOM 873 O LEU A 57 12.553 0.110 -9.287 1.00 3.11 O ATOM 874 CB LEU A 57 9.330 -0.716 -9.827 1.00 5.14 C ATOM 875 CG LEU A 57 7.936 -1.185 -9.408 1.00 33.42 C ATOM 876 CD1 LEU A 57 6.860 -0.584 -10.314 1.00 13.33 C ATOM 877 CD2 LEU A 57 7.861 -2.713 -9.366 1.00 0.13 C ATOM 0 H LEU A 57 9.451 -0.349 -7.059 1.00 35.21 H new ATOM 0 HA LEU A 57 10.990 -1.820 -9.147 1.00 72.44 H new ATOM 0 HB2 LEU A 57 9.280 0.349 -10.056 1.00 5.14 H new ATOM 0 HB3 LEU A 57 9.602 -1.228 -10.750 1.00 5.14 H new ATOM 0 HG LEU A 57 7.744 -0.825 -8.397 1.00 33.42 H new ATOM 0 HD11 LEU A 57 5.878 -0.934 -9.994 1.00 13.33 H new ATOM 0 HD12 LEU A 57 6.896 0.504 -10.250 1.00 13.33 H new ATOM 0 HD13 LEU A 57 7.037 -0.893 -11.344 1.00 13.33 H new ATOM 0 HD21 LEU A 57 6.859 -3.020 -9.065 1.00 0.13 H new ATOM 0 HD22 LEU A 57 8.082 -3.115 -10.354 1.00 0.13 H new ATOM 0 HD23 LEU A 57 8.588 -3.093 -8.648 1.00 0.13 H new ATOM 889 N CYS A 58 11.051 1.273 -8.060 1.00 52.13 N ATOM 890 CA CYS A 58 11.906 2.439 -7.914 1.00 71.21 C ATOM 891 C CYS A 58 12.651 2.324 -6.583 1.00 22.11 C ATOM 892 O CYS A 58 12.287 1.514 -5.731 1.00 51.43 O ATOM 893 CB CYS A 58 11.108 3.741 -8.011 1.00 65.12 C ATOM 894 SG CYS A 58 10.046 3.714 -9.501 1.00 12.43 S ATOM 0 H CYS A 58 10.141 1.352 -7.606 1.00 52.13 H new ATOM 0 HA CYS A 58 12.627 2.470 -8.731 1.00 71.21 H new ATOM 0 HB2 CYS A 58 10.494 3.868 -7.119 1.00 65.12 H new ATOM 0 HB3 CYS A 58 11.788 4.592 -8.054 1.00 65.12 H new ATOM 0 HG CYS A 58 8.816 3.963 -9.162 1.00 12.43 H new ATOM 900 N ASP A 59 13.681 3.146 -6.445 1.00 62.31 N ATOM 901 CA ASP A 59 14.481 3.146 -5.232 1.00 10.41 C ATOM 902 C ASP A 59 13.922 4.186 -4.259 1.00 5.53 C ATOM 903 O ASP A 59 13.993 4.006 -3.044 1.00 0.10 O ATOM 904 CB ASP A 59 15.936 3.513 -5.532 1.00 31.44 C ATOM 905 CG ASP A 59 16.970 2.855 -4.616 1.00 21.50 C ATOM 906 OD1 ASP A 59 17.413 3.449 -3.622 1.00 62.01 O ATOM 907 OD2 ASP A 59 17.326 1.664 -4.963 1.00 0.13 O ATOM 0 H ASP A 59 13.980 3.817 -7.153 1.00 62.31 H new ATOM 0 HA ASP A 59 14.443 2.145 -4.802 1.00 10.41 H new ATOM 0 HB2 ASP A 59 16.159 3.239 -6.563 1.00 31.44 H new ATOM 0 HB3 ASP A 59 16.045 4.595 -5.459 1.00 31.44 H new ATOM 913 N PHE A 60 13.380 5.252 -4.829 1.00 0.32 N ATOM 914 CA PHE A 60 12.810 6.321 -4.027 1.00 13.42 C ATOM 915 C PHE A 60 11.281 6.299 -4.091 1.00 2.32 C ATOM 916 O PHE A 60 10.691 5.343 -4.591 1.00 20.13 O ATOM 917 CB PHE A 60 13.314 7.640 -4.616 1.00 0.20 C ATOM 918 CG PHE A 60 14.720 8.030 -4.155 1.00 50.34 C ATOM 919 CD1 PHE A 60 15.493 7.129 -3.492 1.00 73.20 C ATOM 920 CD2 PHE A 60 15.197 9.278 -4.409 1.00 51.31 C ATOM 921 CE1 PHE A 60 16.798 7.491 -3.065 1.00 35.25 C ATOM 922 CE2 PHE A 60 16.502 9.640 -3.982 1.00 12.35 C ATOM 923 CZ PHE A 60 17.275 8.739 -3.318 1.00 75.12 C ATOM 0 H PHE A 60 13.324 5.398 -5.837 1.00 0.32 H new ATOM 0 HA PHE A 60 13.105 6.202 -2.985 1.00 13.42 H new ATOM 0 HB2 PHE A 60 13.306 7.567 -5.704 1.00 0.20 H new ATOM 0 HB3 PHE A 60 12.620 8.436 -4.345 1.00 0.20 H new ATOM 0 HD1 PHE A 60 15.114 6.138 -3.290 1.00 73.20 H new ATOM 0 HD2 PHE A 60 14.583 9.994 -4.936 1.00 51.31 H new ATOM 0 HE1 PHE A 60 17.412 6.775 -2.539 1.00 35.25 H new ATOM 0 HE2 PHE A 60 16.881 10.631 -4.184 1.00 12.35 H new ATOM 0 HZ PHE A 60 18.267 9.015 -2.992 1.00 75.12 H new ATOM 933 N THR A 61 10.684 7.365 -3.577 1.00 72.35 N ATOM 934 CA THR A 61 9.235 7.480 -3.570 1.00 24.30 C ATOM 935 C THR A 61 8.817 8.950 -3.513 1.00 4.31 C ATOM 936 O THR A 61 9.139 9.654 -2.557 1.00 33.04 O ATOM 937 CB THR A 61 8.701 6.650 -2.400 1.00 43.35 C ATOM 938 OG1 THR A 61 9.662 6.848 -1.367 1.00 65.13 O ATOM 939 CG2 THR A 61 8.755 5.146 -2.676 1.00 51.35 C ATOM 0 H THR A 61 11.177 8.156 -3.163 1.00 72.35 H new ATOM 0 HA THR A 61 8.802 7.088 -4.490 1.00 24.30 H new ATOM 0 HB THR A 61 7.673 6.943 -2.187 1.00 43.35 H new ATOM 0 HG1 THR A 61 9.393 6.346 -0.569 1.00 65.13 H new ATOM 0 HG21 THR A 61 8.365 4.604 -1.815 1.00 51.35 H new ATOM 0 HG22 THR A 61 8.151 4.915 -3.554 1.00 51.35 H new ATOM 0 HG23 THR A 61 9.787 4.846 -2.856 1.00 51.35 H new ATOM 947 N ILE A 62 8.107 9.371 -4.549 1.00 42.12 N ATOM 948 CA ILE A 62 7.642 10.745 -4.629 1.00 51.30 C ATOM 949 C ILE A 62 6.590 10.987 -3.545 1.00 33.21 C ATOM 950 O ILE A 62 6.407 12.116 -3.093 1.00 32.02 O ATOM 951 CB ILE A 62 7.152 11.064 -6.043 1.00 63.22 C ATOM 952 CG1 ILE A 62 8.180 10.630 -7.090 1.00 62.11 C ATOM 953 CG2 ILE A 62 6.788 12.544 -6.177 1.00 33.22 C ATOM 954 CD1 ILE A 62 7.735 11.035 -8.497 1.00 34.43 C ATOM 0 H ILE A 62 7.842 8.784 -5.340 1.00 42.12 H new ATOM 0 HA ILE A 62 8.463 11.436 -4.438 1.00 51.30 H new ATOM 0 HB ILE A 62 6.243 10.491 -6.227 1.00 63.22 H new ATOM 0 HG12 ILE A 62 9.146 11.083 -6.866 1.00 62.11 H new ATOM 0 HG13 ILE A 62 8.316 9.549 -7.045 1.00 62.11 H new ATOM 0 HG21 ILE A 62 6.443 12.743 -7.192 1.00 33.22 H new ATOM 0 HG22 ILE A 62 5.996 12.789 -5.469 1.00 33.22 H new ATOM 0 HG23 ILE A 62 7.665 13.155 -5.966 1.00 33.22 H new ATOM 0 HD11 ILE A 62 8.484 10.715 -9.222 1.00 34.43 H new ATOM 0 HD12 ILE A 62 6.781 10.561 -8.727 1.00 34.43 H new ATOM 0 HD13 ILE A 62 7.623 12.118 -8.546 1.00 34.43 H new ATOM 966 N ASP A 63 5.925 9.907 -3.159 1.00 43.32 N ATOM 967 CA ASP A 63 4.896 9.988 -2.137 1.00 21.44 C ATOM 968 C ASP A 63 3.748 10.864 -2.642 1.00 61.33 C ATOM 969 O ASP A 63 3.387 11.850 -2.003 1.00 2.35 O ATOM 970 CB ASP A 63 5.442 10.618 -0.854 1.00 21.21 C ATOM 971 CG ASP A 63 4.428 10.750 0.284 1.00 21.22 C ATOM 972 OD1 ASP A 63 3.516 9.922 0.426 1.00 21.32 O ATOM 973 OD2 ASP A 63 4.604 11.768 1.056 1.00 44.30 O ATOM 0 H ASP A 63 6.079 8.972 -3.536 1.00 43.32 H new ATOM 0 HA ASP A 63 4.553 8.976 -1.924 1.00 21.44 H new ATOM 0 HB2 ASP A 63 6.283 10.020 -0.503 1.00 21.21 H new ATOM 0 HB3 ASP A 63 5.831 11.608 -1.090 1.00 21.21 H new ATOM 979 N HIS A 64 3.206 10.471 -3.786 1.00 2.42 N ATOM 980 CA HIS A 64 2.107 11.209 -4.385 1.00 35.43 C ATOM 981 C HIS A 64 1.256 10.262 -5.234 1.00 31.34 C ATOM 982 O HIS A 64 1.790 9.436 -5.972 1.00 75.43 O ATOM 983 CB HIS A 64 2.626 12.410 -5.177 1.00 13.34 C ATOM 984 CG HIS A 64 1.713 13.613 -5.137 1.00 73.42 C ATOM 985 ND1 HIS A 64 0.486 13.602 -4.497 1.00 31.42 N ATOM 986 CD2 HIS A 64 1.861 14.862 -5.664 1.00 71.12 C ATOM 987 CE1 HIS A 64 -0.071 14.795 -4.639 1.00 41.41 C ATOM 988 NE2 HIS A 64 0.783 15.575 -5.363 1.00 74.24 N ATOM 0 H HIS A 64 3.507 9.652 -4.313 1.00 2.42 H new ATOM 0 HA HIS A 64 1.467 11.614 -3.601 1.00 35.43 H new ATOM 0 HB2 HIS A 64 3.603 12.695 -4.787 1.00 13.34 H new ATOM 0 HB3 HIS A 64 2.772 12.112 -6.215 1.00 13.34 H new ATOM 0 HD2 HIS A 64 2.711 15.212 -6.230 1.00 71.12 H new ATOM 0 HE1 HIS A 64 -1.032 15.097 -4.250 1.00 41.41 H new ATOM 0 HE2 HIS A 64 0.620 16.546 -5.629 1.00 74.24 H new ATOM 996 N GLN A 65 -0.053 10.414 -5.100 1.00 35.43 N ATOM 997 CA GLN A 65 -0.983 9.582 -5.845 1.00 54.31 C ATOM 998 C GLN A 65 -1.007 10.000 -7.317 1.00 4.22 C ATOM 999 O GLN A 65 -1.238 9.173 -8.197 1.00 64.21 O ATOM 1000 CB GLN A 65 -2.385 9.645 -5.235 1.00 51.02 C ATOM 1001 CG GLN A 65 -3.141 10.882 -5.725 1.00 32.14 C ATOM 1002 CD GLN A 65 -4.485 11.023 -5.006 1.00 4.20 C ATOM 1003 OE1 GLN A 65 -5.515 10.556 -5.464 1.00 3.45 O ATOM 1004 NE2 GLN A 65 -4.416 11.691 -3.858 1.00 53.30 N ATOM 0 H GLN A 65 -0.492 11.101 -4.487 1.00 35.43 H new ATOM 0 HA GLN A 65 -0.643 8.548 -5.786 1.00 54.31 H new ATOM 0 HB2 GLN A 65 -2.941 8.746 -5.500 1.00 51.02 H new ATOM 0 HB3 GLN A 65 -2.312 9.666 -4.148 1.00 51.02 H new ATOM 0 HG2 GLN A 65 -2.537 11.773 -5.554 1.00 32.14 H new ATOM 0 HG3 GLN A 65 -3.305 10.810 -6.800 1.00 32.14 H new ATOM 0 HE21 GLN A 65 -3.520 12.055 -3.533 1.00 53.30 H new ATOM 0 HE22 GLN A 65 -5.259 11.839 -3.303 1.00 53.30 H new ATOM 1013 N SER A 66 -0.764 11.284 -7.538 1.00 71.23 N ATOM 1014 CA SER A 66 -0.754 11.821 -8.888 1.00 53.52 C ATOM 1015 C SER A 66 0.340 11.143 -9.714 1.00 23.41 C ATOM 1016 O SER A 66 0.078 10.638 -10.805 1.00 15.43 O ATOM 1017 CB SER A 66 -0.547 13.337 -8.876 1.00 2.22 C ATOM 1018 OG SER A 66 -1.768 14.042 -8.668 1.00 30.40 O ATOM 0 H SER A 66 -0.573 11.967 -6.805 1.00 71.23 H new ATOM 0 HA SER A 66 -1.723 11.617 -9.344 1.00 53.52 H new ATOM 0 HB2 SER A 66 0.161 13.600 -8.090 1.00 2.22 H new ATOM 0 HB3 SER A 66 -0.105 13.650 -9.822 1.00 2.22 H new ATOM 0 HG SER A 66 -1.593 15.006 -8.665 1.00 30.40 H new ATOM 1024 N CYS A 67 1.545 11.152 -9.162 1.00 33.50 N ATOM 1025 CA CYS A 67 2.680 10.543 -9.834 1.00 24.13 C ATOM 1026 C CYS A 67 2.330 9.087 -10.147 1.00 33.03 C ATOM 1027 O CYS A 67 1.181 8.675 -9.993 1.00 21.43 O ATOM 1028 CB CYS A 67 3.958 10.656 -8.999 1.00 70.45 C ATOM 1029 SG CYS A 67 4.399 12.416 -8.764 1.00 54.14 S ATOM 0 H CYS A 67 1.760 11.571 -8.257 1.00 33.50 H new ATOM 0 HA CYS A 67 2.883 11.074 -10.764 1.00 24.13 H new ATOM 0 HB2 CYS A 67 3.813 10.177 -8.031 1.00 70.45 H new ATOM 0 HB3 CYS A 67 4.774 10.131 -9.496 1.00 70.45 H new ATOM 0 HG CYS A 67 5.144 12.812 -9.753 1.00 54.14 H new ATOM 1035 N SER A 68 3.340 8.348 -10.580 1.00 44.33 N ATOM 1036 CA SER A 68 3.153 6.947 -10.916 1.00 42.02 C ATOM 1037 C SER A 68 4.287 6.110 -10.321 1.00 1.14 C ATOM 1038 O SER A 68 5.290 6.654 -9.860 1.00 54.45 O ATOM 1039 CB SER A 68 3.086 6.748 -12.432 1.00 3.23 C ATOM 1040 OG SER A 68 2.393 5.554 -12.783 1.00 62.34 O ATOM 0 H SER A 68 4.291 8.693 -10.706 1.00 44.33 H new ATOM 0 HA SER A 68 2.205 6.617 -10.491 1.00 42.02 H new ATOM 0 HB2 SER A 68 2.588 7.604 -12.888 1.00 3.23 H new ATOM 0 HB3 SER A 68 4.097 6.713 -12.838 1.00 3.23 H new ATOM 0 HG SER A 68 2.370 5.464 -13.759 1.00 62.34 H new ATOM 1046 N ARG A 69 4.090 4.800 -10.349 1.00 4.24 N ATOM 1047 CA ARG A 69 5.084 3.883 -9.817 1.00 71.31 C ATOM 1048 C ARG A 69 6.488 4.318 -10.241 1.00 23.53 C ATOM 1049 O ARG A 69 7.400 4.372 -9.417 1.00 10.23 O ATOM 1050 CB ARG A 69 4.831 2.455 -10.304 1.00 61.53 C ATOM 1051 CG ARG A 69 3.625 1.838 -9.593 1.00 53.21 C ATOM 1052 CD ARG A 69 2.335 2.100 -10.374 1.00 63.53 C ATOM 1053 NE ARG A 69 1.375 0.995 -10.151 1.00 5.43 N ATOM 1054 CZ ARG A 69 0.341 0.714 -10.971 1.00 62.33 C ATOM 1055 NH1 ARG A 69 0.124 1.454 -12.079 1.00 10.51 N ATOM 1056 NH2 ARG A 69 -0.454 -0.297 -10.675 1.00 15.24 N ATOM 0 H ARG A 69 3.257 4.352 -10.732 1.00 4.24 H new ATOM 0 HA ARG A 69 5.007 3.903 -8.730 1.00 71.31 H new ATOM 0 HB2 ARG A 69 4.660 2.459 -11.380 1.00 61.53 H new ATOM 0 HB3 ARG A 69 5.715 1.844 -10.124 1.00 61.53 H new ATOM 0 HG2 ARG A 69 3.775 0.764 -9.481 1.00 53.21 H new ATOM 0 HG3 ARG A 69 3.538 2.254 -8.589 1.00 53.21 H new ATOM 0 HD2 ARG A 69 1.894 3.045 -10.057 1.00 63.53 H new ATOM 0 HD3 ARG A 69 2.556 2.192 -11.437 1.00 63.53 H new ATOM 0 HE ARG A 69 1.503 0.409 -9.326 1.00 5.43 H new ATOM 0 HH11 ARG A 69 0.744 2.233 -12.302 1.00 10.51 H new ATOM 0 HH12 ARG A 69 -0.660 1.235 -12.693 1.00 10.51 H new ATOM 0 HH21 ARG A 69 -0.282 -0.852 -9.837 1.00 15.24 H new ATOM 0 HH22 ARG A 69 -1.240 -0.523 -11.284 1.00 15.24 H new ATOM 1069 N VAL A 70 6.619 4.616 -11.525 1.00 33.30 N ATOM 1070 CA VAL A 70 7.897 5.044 -12.068 1.00 13.02 C ATOM 1071 C VAL A 70 7.715 6.375 -12.800 1.00 13.35 C ATOM 1072 O VAL A 70 7.923 6.457 -14.009 1.00 70.51 O ATOM 1073 CB VAL A 70 8.481 3.947 -12.960 1.00 34.51 C ATOM 1074 CG1 VAL A 70 10.003 4.066 -13.050 1.00 62.32 C ATOM 1075 CG2 VAL A 70 8.067 2.559 -12.464 1.00 5.40 C ATOM 0 H VAL A 70 5.861 4.570 -12.206 1.00 33.30 H new ATOM 0 HA VAL A 70 8.616 5.209 -11.266 1.00 13.02 H new ATOM 0 HB VAL A 70 8.075 4.079 -13.963 1.00 34.51 H new ATOM 0 HG11 VAL A 70 10.393 3.274 -13.690 1.00 62.32 H new ATOM 0 HG12 VAL A 70 10.268 5.036 -13.471 1.00 62.32 H new ATOM 0 HG13 VAL A 70 10.435 3.973 -12.054 1.00 62.32 H new ATOM 0 HG21 VAL A 70 8.495 1.797 -13.115 1.00 5.40 H new ATOM 0 HG22 VAL A 70 8.430 2.413 -11.447 1.00 5.40 H new ATOM 0 HG23 VAL A 70 6.980 2.478 -12.476 1.00 5.40 H new ATOM 1085 N HIS A 71 7.328 7.386 -12.035 1.00 50.01 N ATOM 1086 CA HIS A 71 7.116 8.710 -12.596 1.00 34.34 C ATOM 1087 C HIS A 71 8.285 9.072 -13.513 1.00 1.30 C ATOM 1088 O HIS A 71 8.080 9.479 -14.655 1.00 53.34 O ATOM 1089 CB HIS A 71 6.891 9.739 -11.487 1.00 15.44 C ATOM 1090 CG HIS A 71 6.632 11.139 -11.991 1.00 40.05 C ATOM 1091 ND1 HIS A 71 5.485 11.848 -11.680 1.00 41.33 N ATOM 1092 CD2 HIS A 71 7.384 11.953 -12.787 1.00 70.51 C ATOM 1093 CE1 HIS A 71 5.554 13.034 -12.268 1.00 72.54 C ATOM 1094 NE2 HIS A 71 6.731 13.096 -12.954 1.00 42.03 N ATOM 0 H HIS A 71 7.156 7.315 -11.032 1.00 50.01 H new ATOM 0 HA HIS A 71 6.210 8.712 -13.203 1.00 34.34 H new ATOM 0 HB2 HIS A 71 6.045 9.421 -10.877 1.00 15.44 H new ATOM 0 HB3 HIS A 71 7.766 9.754 -10.837 1.00 15.44 H new ATOM 0 HD2 HIS A 71 8.347 11.708 -13.210 1.00 70.51 H new ATOM 0 HE1 HIS A 71 4.809 13.814 -12.213 1.00 72.54 H new ATOM 0 HE2 HIS A 71 7.056 13.890 -13.505 1.00 42.03 H new ATOM 1103 N ALA A 72 9.487 8.911 -12.978 1.00 54.43 N ATOM 1104 CA ALA A 72 10.689 9.217 -13.735 1.00 23.35 C ATOM 1105 C ALA A 72 11.866 8.433 -13.150 1.00 45.41 C ATOM 1106 O ALA A 72 11.682 7.589 -12.275 1.00 74.33 O ATOM 1107 CB ALA A 72 10.931 10.727 -13.722 1.00 54.51 C ATOM 0 H ALA A 72 9.654 8.573 -12.030 1.00 54.43 H new ATOM 0 HA ALA A 72 10.575 8.915 -14.776 1.00 23.35 H new ATOM 0 HB1 ALA A 72 11.833 10.956 -14.290 1.00 54.51 H new ATOM 0 HB2 ALA A 72 10.079 11.236 -14.173 1.00 54.51 H new ATOM 0 HB3 ALA A 72 11.054 11.067 -12.694 1.00 54.51 H new ATOM 1113 N ALA A 73 13.051 8.742 -13.657 1.00 60.43 N ATOM 1114 CA ALA A 73 14.258 8.077 -13.197 1.00 3.03 C ATOM 1115 C ALA A 73 15.454 9.013 -13.384 1.00 12.31 C ATOM 1116 O ALA A 73 15.502 9.780 -14.345 1.00 20.32 O ATOM 1117 CB ALA A 73 14.431 6.754 -13.946 1.00 13.21 C ATOM 0 H ALA A 73 13.201 9.444 -14.382 1.00 60.43 H new ATOM 0 HA ALA A 73 14.185 7.843 -12.135 1.00 3.03 H new ATOM 0 HB1 ALA A 73 15.337 6.256 -13.600 1.00 13.21 H new ATOM 0 HB2 ALA A 73 13.570 6.113 -13.757 1.00 13.21 H new ATOM 0 HB3 ALA A 73 14.510 6.949 -15.016 1.00 13.21 H new ATOM 1123 N LEU A 74 16.389 8.920 -12.450 1.00 43.54 N ATOM 1124 CA LEU A 74 17.581 9.750 -12.500 1.00 65.35 C ATOM 1125 C LEU A 74 18.718 8.962 -13.155 1.00 42.01 C ATOM 1126 O LEU A 74 18.722 7.732 -13.128 1.00 2.34 O ATOM 1127 CB LEU A 74 17.924 10.280 -11.107 1.00 11.41 C ATOM 1128 CG LEU A 74 19.167 11.167 -11.014 1.00 3.22 C ATOM 1129 CD1 LEU A 74 19.089 12.095 -9.800 1.00 40.42 C ATOM 1130 CD2 LEU A 74 20.444 10.323 -11.009 1.00 15.33 C ATOM 0 H LEU A 74 16.346 8.283 -11.655 1.00 43.54 H new ATOM 0 HA LEU A 74 17.406 10.632 -13.117 1.00 65.35 H new ATOM 0 HB2 LEU A 74 17.070 10.846 -10.735 1.00 11.41 H new ATOM 0 HB3 LEU A 74 18.058 9.429 -10.439 1.00 11.41 H new ATOM 0 HG LEU A 74 19.202 11.799 -11.901 1.00 3.22 H new ATOM 0 HD11 LEU A 74 19.985 12.714 -9.757 1.00 40.42 H new ATOM 0 HD12 LEU A 74 18.210 12.734 -9.886 1.00 40.42 H new ATOM 0 HD13 LEU A 74 19.017 11.499 -8.890 1.00 40.42 H new ATOM 0 HD21 LEU A 74 21.313 10.978 -10.942 1.00 15.33 H new ATOM 0 HD22 LEU A 74 20.431 9.649 -10.153 1.00 15.33 H new ATOM 0 HD23 LEU A 74 20.499 9.740 -11.929 1.00 15.33 H new ATOM 1142 N VAL A 75 19.655 9.703 -13.728 1.00 61.13 N ATOM 1143 CA VAL A 75 20.795 9.089 -14.389 1.00 14.22 C ATOM 1144 C VAL A 75 21.998 10.030 -14.300 1.00 12.13 C ATOM 1145 O VAL A 75 21.951 11.152 -14.801 1.00 1.40 O ATOM 1146 CB VAL A 75 20.429 8.721 -15.828 1.00 62.41 C ATOM 1147 CG1 VAL A 75 21.648 8.189 -16.584 1.00 62.32 C ATOM 1148 CG2 VAL A 75 19.280 7.711 -15.861 1.00 21.14 C ATOM 0 H VAL A 75 19.648 10.723 -13.748 1.00 61.13 H new ATOM 0 HA VAL A 75 21.071 8.160 -13.890 1.00 14.22 H new ATOM 0 HB VAL A 75 20.092 9.628 -16.330 1.00 62.41 H new ATOM 0 HG11 VAL A 75 21.361 7.935 -17.604 1.00 62.32 H new ATOM 0 HG12 VAL A 75 22.425 8.953 -16.605 1.00 62.32 H new ATOM 0 HG13 VAL A 75 22.028 7.299 -16.082 1.00 62.32 H new ATOM 0 HG21 VAL A 75 19.040 7.467 -16.896 1.00 21.14 H new ATOM 0 HG22 VAL A 75 19.577 6.805 -15.334 1.00 21.14 H new ATOM 0 HG23 VAL A 75 18.403 8.141 -15.377 1.00 21.14 H new ATOM 1158 N TYR A 76 23.047 9.538 -13.658 1.00 62.20 N ATOM 1159 CA TYR A 76 24.261 10.321 -13.497 1.00 33.32 C ATOM 1160 C TYR A 76 25.170 10.181 -14.719 1.00 60.44 C ATOM 1161 O TYR A 76 25.763 9.126 -14.938 1.00 64.35 O ATOM 1162 CB TYR A 76 24.977 9.742 -12.275 1.00 15.13 C ATOM 1163 CG TYR A 76 26.208 10.539 -11.839 1.00 53.24 C ATOM 1164 CD1 TYR A 76 26.058 11.669 -11.061 1.00 45.23 C ATOM 1165 CD2 TYR A 76 27.468 10.128 -12.225 1.00 13.40 C ATOM 1166 CE1 TYR A 76 27.217 12.420 -10.652 1.00 22.54 C ATOM 1167 CE2 TYR A 76 28.626 10.879 -11.815 1.00 64.33 C ATOM 1168 CZ TYR A 76 28.444 11.987 -11.049 1.00 0.21 C ATOM 1169 OH TYR A 76 29.538 12.696 -10.662 1.00 24.10 O ATOM 0 H TYR A 76 23.082 8.607 -13.243 1.00 62.20 H new ATOM 0 HA TYR A 76 24.023 11.378 -13.381 1.00 33.32 H new ATOM 0 HB2 TYR A 76 24.274 9.695 -11.443 1.00 15.13 H new ATOM 0 HB3 TYR A 76 25.279 8.718 -12.495 1.00 15.13 H new ATOM 0 HD1 TYR A 76 25.072 11.990 -10.759 1.00 45.23 H new ATOM 0 HD2 TYR A 76 27.585 9.244 -12.834 1.00 13.40 H new ATOM 0 HE1 TYR A 76 27.114 13.307 -10.044 1.00 22.54 H new ATOM 0 HE2 TYR A 76 29.618 10.569 -12.110 1.00 64.33 H new ATOM 0 HH TYR A 76 29.297 13.641 -10.562 1.00 24.10 H new ATOM 1179 N HIS A 77 25.251 11.260 -15.484 1.00 32.24 N ATOM 1180 CA HIS A 77 26.078 11.271 -16.678 1.00 72.44 C ATOM 1181 C HIS A 77 27.542 11.057 -16.291 1.00 4.43 C ATOM 1182 O HIS A 77 27.946 11.378 -15.174 1.00 11.41 O ATOM 1183 CB HIS A 77 25.858 12.555 -17.480 1.00 15.11 C ATOM 1184 CG HIS A 77 25.822 12.347 -18.975 1.00 51.32 C ATOM 1185 ND1 HIS A 77 26.958 12.099 -19.725 1.00 25.01 N ATOM 1186 CD2 HIS A 77 24.776 12.353 -19.851 1.00 64.41 C ATOM 1187 CE1 HIS A 77 26.601 11.964 -20.994 1.00 24.45 C ATOM 1188 NE2 HIS A 77 25.249 12.122 -21.070 1.00 33.32 N ATOM 0 H HIS A 77 24.757 12.133 -15.300 1.00 32.24 H new ATOM 0 HA HIS A 77 25.788 10.449 -17.332 1.00 72.44 H new ATOM 0 HB2 HIS A 77 24.920 13.012 -17.164 1.00 15.11 H new ATOM 0 HB3 HIS A 77 26.653 13.261 -17.241 1.00 15.11 H new ATOM 0 HD2 HIS A 77 23.739 12.518 -19.596 1.00 64.41 H new ATOM 0 HE1 HIS A 77 27.264 11.764 -21.822 1.00 24.45 H new ATOM 0 HE2 HIS A 77 24.692 12.071 -21.923 1.00 33.32 H new ATOM 1196 N LYS A 78 28.298 10.517 -17.235 1.00 64.00 N ATOM 1197 CA LYS A 78 29.710 10.257 -17.006 1.00 74.15 C ATOM 1198 C LYS A 78 30.544 11.169 -17.908 1.00 63.20 C ATOM 1199 O LYS A 78 31.545 11.734 -17.469 1.00 54.33 O ATOM 1200 CB LYS A 78 30.016 8.769 -17.185 1.00 31.53 C ATOM 1201 CG LYS A 78 30.005 8.380 -18.665 1.00 21.15 C ATOM 1202 CD LYS A 78 29.771 6.878 -18.835 1.00 70.51 C ATOM 1203 CE LYS A 78 30.935 6.072 -18.254 1.00 34.11 C ATOM 1204 NZ LYS A 78 30.459 4.764 -17.750 1.00 10.21 N ATOM 0 H LYS A 78 27.960 10.252 -18.160 1.00 64.00 H new ATOM 0 HA LYS A 78 29.979 10.493 -15.976 1.00 74.15 H new ATOM 0 HB2 LYS A 78 30.990 8.540 -16.753 1.00 31.53 H new ATOM 0 HB3 LYS A 78 29.279 8.175 -16.644 1.00 31.53 H new ATOM 0 HG2 LYS A 78 29.224 8.935 -19.185 1.00 21.15 H new ATOM 0 HG3 LYS A 78 30.953 8.658 -19.125 1.00 21.15 H new ATOM 0 HD2 LYS A 78 28.843 6.593 -18.339 1.00 70.51 H new ATOM 0 HD3 LYS A 78 29.653 6.642 -19.893 1.00 70.51 H new ATOM 0 HE2 LYS A 78 31.696 5.919 -19.019 1.00 34.11 H new ATOM 0 HE3 LYS A 78 31.404 6.631 -17.445 1.00 34.11 H new ATOM 0 HZ1 LYS A 78 30.917 4.555 -16.840 1.00 10.21 H new ATOM 0 HZ2 LYS A 78 29.428 4.797 -17.619 1.00 10.21 H new ATOM 0 HZ3 LYS A 78 30.697 4.020 -18.436 1.00 10.21 H new ATOM 1217 N HIS A 79 30.102 11.283 -19.152 1.00 2.43 N ATOM 1218 CA HIS A 79 30.796 12.117 -20.119 1.00 31.12 C ATOM 1219 C HIS A 79 30.551 13.592 -19.794 1.00 61.12 C ATOM 1220 O HIS A 79 31.218 14.470 -20.339 1.00 10.20 O ATOM 1221 CB HIS A 79 30.387 11.748 -21.546 1.00 50.12 C ATOM 1222 CG HIS A 79 30.137 10.273 -21.752 1.00 12.04 C ATOM 1223 ND1 HIS A 79 31.144 9.379 -22.073 1.00 13.53 N ATOM 1224 CD2 HIS A 79 28.985 9.546 -21.677 1.00 65.54 C ATOM 1225 CE1 HIS A 79 30.611 8.172 -22.185 1.00 71.32 C ATOM 1226 NE2 HIS A 79 29.273 8.277 -21.940 1.00 61.24 N ATOM 0 H HIS A 79 29.272 10.812 -19.513 1.00 2.43 H new ATOM 0 HA HIS A 79 31.870 11.940 -20.054 1.00 31.12 H new ATOM 0 HB2 HIS A 79 29.484 12.299 -21.808 1.00 50.12 H new ATOM 0 HB3 HIS A 79 31.169 12.073 -22.232 1.00 50.12 H new ATOM 0 HD1 HIS A 79 32.129 9.611 -22.201 1.00 13.53 H new ATOM 0 HD2 HIS A 79 28.005 9.936 -21.443 1.00 65.54 H new ATOM 0 HE1 HIS A 79 31.142 7.264 -22.428 1.00 71.32 H new ATOM 1234 N LEU A 80 29.593 13.818 -18.908 1.00 55.41 N ATOM 1235 CA LEU A 80 29.251 15.172 -18.504 1.00 62.23 C ATOM 1236 C LEU A 80 29.572 15.352 -17.019 1.00 53.52 C ATOM 1237 O LEU A 80 29.858 16.462 -16.573 1.00 14.43 O ATOM 1238 CB LEU A 80 27.798 15.487 -18.862 1.00 55.35 C ATOM 1239 CG LEU A 80 27.409 15.286 -20.329 1.00 22.14 C ATOM 1240 CD1 LEU A 80 25.937 15.631 -20.558 1.00 54.42 C ATOM 1241 CD2 LEU A 80 28.335 16.077 -21.255 1.00 12.43 C ATOM 0 H LEU A 80 29.042 13.087 -18.458 1.00 55.41 H new ATOM 0 HA LEU A 80 29.854 15.897 -19.051 1.00 62.23 H new ATOM 0 HB2 LEU A 80 27.150 14.864 -18.246 1.00 55.35 H new ATOM 0 HB3 LEU A 80 27.594 16.523 -18.592 1.00 55.35 H new ATOM 0 HG LEU A 80 27.534 14.231 -20.574 1.00 22.14 H new ATOM 0 HD11 LEU A 80 25.687 15.480 -21.608 1.00 54.42 H new ATOM 0 HD12 LEU A 80 25.312 14.987 -19.940 1.00 54.42 H new ATOM 0 HD13 LEU A 80 25.761 16.673 -20.290 1.00 54.42 H new ATOM 0 HD21 LEU A 80 28.037 15.917 -22.291 1.00 12.43 H new ATOM 0 HD22 LEU A 80 28.266 17.139 -21.018 1.00 12.43 H new ATOM 0 HD23 LEU A 80 29.362 15.740 -21.117 1.00 12.43 H new ATOM 1253 N LYS A 81 29.513 14.245 -16.295 1.00 23.50 N ATOM 1254 CA LYS A 81 29.794 14.267 -14.869 1.00 71.44 C ATOM 1255 C LYS A 81 28.674 15.017 -14.145 1.00 44.33 C ATOM 1256 O LYS A 81 28.927 15.730 -13.175 1.00 53.12 O ATOM 1257 CB LYS A 81 31.188 14.839 -14.607 1.00 22.15 C ATOM 1258 CG LYS A 81 32.268 13.973 -15.258 1.00 42.04 C ATOM 1259 CD LYS A 81 32.574 14.455 -16.678 1.00 24.20 C ATOM 1260 CE LYS A 81 32.956 15.936 -16.684 1.00 3.34 C ATOM 1261 NZ LYS A 81 33.804 16.248 -17.856 1.00 1.50 N ATOM 0 H LYS A 81 29.275 13.326 -16.669 1.00 23.50 H new ATOM 0 HA LYS A 81 29.811 13.254 -14.467 1.00 71.44 H new ATOM 0 HB2 LYS A 81 31.247 15.855 -14.998 1.00 22.15 H new ATOM 0 HB3 LYS A 81 31.364 14.900 -13.533 1.00 22.15 H new ATOM 0 HG2 LYS A 81 33.176 14.004 -14.656 1.00 42.04 H new ATOM 0 HG3 LYS A 81 31.939 12.934 -15.286 1.00 42.04 H new ATOM 0 HD2 LYS A 81 33.388 13.864 -17.099 1.00 24.20 H new ATOM 0 HD3 LYS A 81 31.703 14.298 -17.315 1.00 24.20 H new ATOM 0 HE2 LYS A 81 32.055 16.550 -16.706 1.00 3.34 H new ATOM 0 HE3 LYS A 81 33.489 16.184 -15.766 1.00 3.34 H new ATOM 0 HZ1 LYS A 81 34.054 17.257 -17.845 1.00 1.50 H new ATOM 0 HZ2 LYS A 81 34.672 15.676 -17.819 1.00 1.50 H new ATOM 0 HZ3 LYS A 81 33.283 16.030 -18.729 1.00 1.50 H new ATOM 1274 N ARG A 82 27.461 14.831 -14.645 1.00 4.42 N ATOM 1275 CA ARG A 82 26.302 15.482 -14.058 1.00 5.14 C ATOM 1276 C ARG A 82 25.175 14.469 -13.846 1.00 5.20 C ATOM 1277 O ARG A 82 25.402 13.262 -13.907 1.00 32.32 O ATOM 1278 CB ARG A 82 25.797 16.618 -14.950 1.00 24.40 C ATOM 1279 CG ARG A 82 26.761 16.873 -16.110 1.00 45.32 C ATOM 1280 CD ARG A 82 26.130 17.796 -17.155 1.00 31.13 C ATOM 1281 NE ARG A 82 27.110 18.817 -17.587 1.00 62.21 N ATOM 1282 CZ ARG A 82 27.457 19.893 -16.850 1.00 52.40 C ATOM 1283 NH1 ARG A 82 26.904 20.099 -15.635 1.00 64.25 N ATOM 1284 NH2 ARG A 82 28.344 20.742 -17.335 1.00 11.23 N ATOM 0 H ARG A 82 27.256 14.239 -15.450 1.00 4.42 H new ATOM 0 HA ARG A 82 26.607 15.898 -13.098 1.00 5.14 H new ATOM 0 HB2 ARG A 82 24.811 16.368 -15.340 1.00 24.40 H new ATOM 0 HB3 ARG A 82 25.685 17.527 -14.359 1.00 24.40 H new ATOM 0 HG2 ARG A 82 27.680 17.321 -15.732 1.00 45.32 H new ATOM 0 HG3 ARG A 82 27.035 15.926 -16.574 1.00 45.32 H new ATOM 0 HD2 ARG A 82 25.798 17.213 -18.014 1.00 31.13 H new ATOM 0 HD3 ARG A 82 25.247 18.281 -16.738 1.00 31.13 H new ATOM 0 HE ARG A 82 27.551 18.700 -18.499 1.00 62.21 H new ATOM 0 HH11 ARG A 82 26.219 19.439 -15.268 1.00 64.25 H new ATOM 0 HH12 ARG A 82 27.172 20.915 -15.084 1.00 64.25 H new ATOM 0 HH21 ARG A 82 28.756 20.580 -18.254 1.00 11.23 H new ATOM 0 HH22 ARG A 82 28.617 21.560 -16.791 1.00 11.23 H new ATOM 1297 N VAL A 83 23.986 14.998 -13.602 1.00 14.31 N ATOM 1298 CA VAL A 83 22.823 14.155 -13.381 1.00 12.41 C ATOM 1299 C VAL A 83 21.769 14.458 -14.448 1.00 61.53 C ATOM 1300 O VAL A 83 21.859 15.467 -15.146 1.00 34.40 O ATOM 1301 CB VAL A 83 22.301 14.346 -11.955 1.00 44.22 C ATOM 1302 CG1 VAL A 83 21.114 13.422 -11.677 1.00 42.03 C ATOM 1303 CG2 VAL A 83 23.416 14.130 -10.930 1.00 45.11 C ATOM 0 H VAL A 83 23.802 16.000 -13.552 1.00 14.31 H new ATOM 0 HA VAL A 83 23.091 13.103 -13.477 1.00 12.41 H new ATOM 0 HB VAL A 83 21.953 15.375 -11.860 1.00 44.22 H new ATOM 0 HG11 VAL A 83 20.763 13.578 -10.657 1.00 42.03 H new ATOM 0 HG12 VAL A 83 20.308 13.644 -12.376 1.00 42.03 H new ATOM 0 HG13 VAL A 83 21.424 12.384 -11.799 1.00 42.03 H new ATOM 0 HG21 VAL A 83 23.019 14.272 -9.925 1.00 45.11 H new ATOM 0 HG22 VAL A 83 23.807 13.117 -11.026 1.00 45.11 H new ATOM 0 HG23 VAL A 83 24.217 14.847 -11.108 1.00 45.11 H new ATOM 1313 N PHE A 84 20.795 13.565 -14.542 1.00 32.42 N ATOM 1314 CA PHE A 84 19.725 13.723 -15.512 1.00 60.03 C ATOM 1315 C PHE A 84 18.404 13.178 -14.966 1.00 12.21 C ATOM 1316 O PHE A 84 18.399 12.310 -14.094 1.00 42.33 O ATOM 1317 CB PHE A 84 20.122 12.917 -16.751 1.00 11.31 C ATOM 1318 CG PHE A 84 20.982 13.694 -17.749 1.00 44.43 C ATOM 1319 CD1 PHE A 84 22.329 13.769 -17.573 1.00 12.34 C ATOM 1320 CD2 PHE A 84 20.401 14.310 -18.813 1.00 52.23 C ATOM 1321 CE1 PHE A 84 23.127 14.490 -18.499 1.00 44.52 C ATOM 1322 CE2 PHE A 84 21.199 15.031 -19.740 1.00 4.52 C ATOM 1323 CZ PHE A 84 22.546 15.106 -19.563 1.00 51.42 C ATOM 0 H PHE A 84 20.724 12.729 -13.962 1.00 32.42 H new ATOM 0 HA PHE A 84 19.584 14.779 -15.741 1.00 60.03 H new ATOM 0 HB2 PHE A 84 20.666 12.027 -16.434 1.00 11.31 H new ATOM 0 HB3 PHE A 84 19.218 12.575 -17.255 1.00 11.31 H new ATOM 0 HD1 PHE A 84 22.791 13.280 -16.728 1.00 12.34 H new ATOM 0 HD2 PHE A 84 19.332 14.251 -18.953 1.00 52.23 H new ATOM 0 HE1 PHE A 84 24.196 14.549 -18.359 1.00 44.52 H new ATOM 0 HE2 PHE A 84 20.737 15.520 -20.585 1.00 4.52 H new ATOM 0 HZ PHE A 84 23.154 15.655 -20.267 1.00 51.42 H new ATOM 1333 N LEU A 85 17.315 13.710 -15.501 1.00 13.31 N ATOM 1334 CA LEU A 85 15.990 13.288 -15.078 1.00 2.32 C ATOM 1335 C LEU A 85 15.182 12.856 -16.303 1.00 30.33 C ATOM 1336 O LEU A 85 14.764 13.692 -17.102 1.00 12.01 O ATOM 1337 CB LEU A 85 15.316 14.386 -14.253 1.00 2.34 C ATOM 1338 CG LEU A 85 13.905 14.076 -13.749 1.00 23.05 C ATOM 1339 CD1 LEU A 85 13.684 12.567 -13.632 1.00 64.41 C ATOM 1340 CD2 LEU A 85 13.622 14.800 -12.431 1.00 3.03 C ATOM 0 H LEU A 85 17.323 14.430 -16.224 1.00 13.31 H new ATOM 0 HA LEU A 85 16.058 12.422 -14.419 1.00 2.32 H new ATOM 0 HB2 LEU A 85 15.948 14.606 -13.392 1.00 2.34 H new ATOM 0 HB3 LEU A 85 15.274 15.292 -14.857 1.00 2.34 H new ATOM 0 HG LEU A 85 13.191 14.451 -14.482 1.00 23.05 H new ATOM 0 HD11 LEU A 85 12.673 12.374 -13.272 1.00 64.41 H new ATOM 0 HD12 LEU A 85 13.815 12.103 -14.610 1.00 64.41 H new ATOM 0 HD13 LEU A 85 14.405 12.147 -12.931 1.00 64.41 H new ATOM 0 HD21 LEU A 85 12.613 14.563 -12.095 1.00 3.03 H new ATOM 0 HD22 LEU A 85 14.341 14.478 -11.677 1.00 3.03 H new ATOM 0 HD23 LEU A 85 13.711 15.876 -12.581 1.00 3.03 H new ATOM 1352 N ILE A 86 14.986 11.550 -16.412 1.00 24.11 N ATOM 1353 CA ILE A 86 14.236 10.996 -17.526 1.00 13.11 C ATOM 1354 C ILE A 86 12.760 10.888 -17.137 1.00 52.13 C ATOM 1355 O ILE A 86 12.392 10.058 -16.307 1.00 51.04 O ATOM 1356 CB ILE A 86 14.851 9.671 -17.980 1.00 74.14 C ATOM 1357 CG1 ILE A 86 16.336 9.604 -17.620 1.00 21.50 C ATOM 1358 CG2 ILE A 86 14.612 9.439 -19.474 1.00 10.32 C ATOM 1359 CD1 ILE A 86 17.076 8.618 -18.527 1.00 1.04 C ATOM 0 H ILE A 86 15.334 10.859 -15.747 1.00 24.11 H new ATOM 0 HA ILE A 86 14.291 11.658 -18.390 1.00 13.11 H new ATOM 0 HB ILE A 86 14.353 8.862 -17.445 1.00 74.14 H new ATOM 0 HG12 ILE A 86 16.782 10.594 -17.713 1.00 21.50 H new ATOM 0 HG13 ILE A 86 16.448 9.301 -16.579 1.00 21.50 H new ATOM 0 HG21 ILE A 86 15.059 8.490 -19.771 1.00 10.32 H new ATOM 0 HG22 ILE A 86 13.540 9.412 -19.671 1.00 10.32 H new ATOM 0 HG23 ILE A 86 15.066 10.249 -20.045 1.00 10.32 H new ATOM 0 HD11 ILE A 86 18.130 8.589 -18.250 1.00 1.04 H new ATOM 0 HD12 ILE A 86 16.644 7.624 -18.413 1.00 1.04 H new ATOM 0 HD13 ILE A 86 16.982 8.938 -19.565 1.00 1.04 H new ATOM 1371 N ASP A 87 11.954 11.739 -17.756 1.00 2.05 N ATOM 1372 CA ASP A 87 10.527 11.750 -17.485 1.00 33.33 C ATOM 1373 C ASP A 87 9.880 10.522 -18.130 1.00 25.14 C ATOM 1374 O ASP A 87 9.269 10.624 -19.192 1.00 60.10 O ATOM 1375 CB ASP A 87 9.864 12.997 -18.073 1.00 32.31 C ATOM 1376 CG ASP A 87 10.603 14.309 -17.806 1.00 3.23 C ATOM 1377 OD1 ASP A 87 10.101 15.400 -18.115 1.00 34.24 O ATOM 1378 OD2 ASP A 87 11.759 14.180 -17.248 1.00 64.22 O ATOM 0 H ASP A 87 12.263 12.426 -18.444 1.00 2.05 H new ATOM 0 HA ASP A 87 10.389 11.744 -16.404 1.00 33.33 H new ATOM 0 HB2 ASP A 87 9.767 12.865 -19.151 1.00 32.31 H new ATOM 0 HB3 ASP A 87 8.854 13.078 -17.670 1.00 32.31 H new ATOM 1384 N LEU A 88 10.038 9.390 -17.460 1.00 60.41 N ATOM 1385 CA LEU A 88 9.478 8.144 -17.955 1.00 35.53 C ATOM 1386 C LEU A 88 7.976 8.322 -18.189 1.00 1.13 C ATOM 1387 O LEU A 88 7.166 7.990 -17.325 1.00 72.10 O ATOM 1388 CB LEU A 88 9.820 6.990 -17.010 1.00 33.22 C ATOM 1389 CG LEU A 88 11.294 6.853 -16.624 1.00 40.51 C ATOM 1390 CD1 LEU A 88 11.553 5.526 -15.909 1.00 62.13 C ATOM 1391 CD2 LEU A 88 12.199 7.034 -17.845 1.00 30.54 C ATOM 0 H LEU A 88 10.546 9.310 -16.579 1.00 60.41 H new ATOM 0 HA LEU A 88 9.922 7.882 -18.915 1.00 35.53 H new ATOM 0 HB2 LEU A 88 9.236 7.109 -16.098 1.00 33.22 H new ATOM 0 HB3 LEU A 88 9.499 6.058 -17.475 1.00 33.22 H new ATOM 0 HG LEU A 88 11.539 7.649 -15.921 1.00 40.51 H new ATOM 0 HD11 LEU A 88 12.608 5.454 -15.646 1.00 62.13 H new ATOM 0 HD12 LEU A 88 10.949 5.477 -15.003 1.00 62.13 H new ATOM 0 HD13 LEU A 88 11.287 4.700 -16.568 1.00 62.13 H new ATOM 0 HD21 LEU A 88 13.241 6.932 -17.544 1.00 30.54 H new ATOM 0 HD22 LEU A 88 11.961 6.275 -18.590 1.00 30.54 H new ATOM 0 HD23 LEU A 88 12.040 8.024 -18.272 1.00 30.54 H new ATOM 1403 N ASN A 89 7.651 8.846 -19.361 1.00 53.41 N ATOM 1404 CA ASN A 89 6.261 9.073 -19.720 1.00 11.23 C ATOM 1405 C ASN A 89 5.485 9.520 -18.479 1.00 30.10 C ATOM 1406 O ASN A 89 4.421 8.980 -18.180 1.00 70.11 O ATOM 1407 CB ASN A 89 5.612 7.792 -20.247 1.00 61.01 C ATOM 1408 CG ASN A 89 6.316 6.552 -19.692 1.00 11.23 C ATOM 1409 OD1 ASN A 89 5.783 5.817 -18.877 1.00 70.31 O ATOM 1410 ND2 ASN A 89 7.540 6.362 -20.176 1.00 52.32 N ATOM 0 H ASN A 89 8.326 9.120 -20.075 1.00 53.41 H new ATOM 0 HA ASN A 89 6.234 9.837 -20.497 1.00 11.23 H new ATOM 0 HB2 ASN A 89 4.559 7.772 -19.967 1.00 61.01 H new ATOM 0 HB3 ASN A 89 5.653 7.781 -21.336 1.00 61.01 H new ATOM 0 HD21 ASN A 89 8.092 5.562 -19.867 1.00 52.32 H new ATOM 0 HD22 ASN A 89 7.927 7.016 -20.857 1.00 52.32 H new ATOM 1417 N SER A 90 6.048 10.502 -17.790 1.00 32.40 N ATOM 1418 CA SER A 90 5.422 11.027 -16.588 1.00 41.14 C ATOM 1419 C SER A 90 3.965 11.395 -16.875 1.00 41.45 C ATOM 1420 O SER A 90 3.675 12.073 -17.860 1.00 73.33 O ATOM 1421 CB SER A 90 6.183 12.244 -16.059 1.00 12.24 C ATOM 1422 OG SER A 90 5.330 13.140 -15.351 1.00 10.11 O ATOM 0 H SER A 90 6.930 10.948 -18.041 1.00 32.40 H new ATOM 0 HA SER A 90 5.450 10.253 -15.821 1.00 41.14 H new ATOM 0 HB2 SER A 90 6.986 11.912 -15.401 1.00 12.24 H new ATOM 0 HB3 SER A 90 6.650 12.770 -16.892 1.00 12.24 H new ATOM 0 HG SER A 90 5.830 13.559 -14.620 1.00 10.11 H new ATOM 1428 N THR A 91 3.087 10.933 -15.997 1.00 43.13 N ATOM 1429 CA THR A 91 1.668 11.205 -16.144 1.00 14.50 C ATOM 1430 C THR A 91 1.448 12.627 -16.665 1.00 43.11 C ATOM 1431 O THR A 91 0.606 12.851 -17.533 1.00 32.01 O ATOM 1432 CB THR A 91 0.994 10.942 -14.796 1.00 31.21 C ATOM 1433 OG1 THR A 91 -0.107 11.846 -14.775 1.00 51.21 O ATOM 1434 CG2 THR A 91 1.859 11.381 -13.613 1.00 22.00 C ATOM 0 H THR A 91 3.331 10.372 -15.181 1.00 43.13 H new ATOM 0 HA THR A 91 1.215 10.547 -16.885 1.00 14.50 H new ATOM 0 HB THR A 91 0.767 9.880 -14.706 1.00 31.21 H new ATOM 0 HG1 THR A 91 -0.600 11.741 -13.935 1.00 51.21 H new ATOM 0 HG21 THR A 91 1.334 11.172 -12.681 1.00 22.00 H new ATOM 0 HG22 THR A 91 2.802 10.834 -13.629 1.00 22.00 H new ATOM 0 HG23 THR A 91 2.059 12.450 -13.685 1.00 22.00 H new ATOM 1442 N HIS A 92 2.221 13.551 -16.113 1.00 63.05 N ATOM 1443 CA HIS A 92 2.122 14.945 -16.512 1.00 22.13 C ATOM 1444 C HIS A 92 3.404 15.365 -17.234 1.00 20.41 C ATOM 1445 O HIS A 92 3.378 15.673 -18.424 1.00 54.13 O ATOM 1446 CB HIS A 92 1.802 15.833 -15.307 1.00 64.53 C ATOM 1447 CG HIS A 92 0.983 15.147 -14.240 1.00 2.24 C ATOM 1448 ND1 HIS A 92 -0.397 15.231 -14.185 1.00 31.24 N ATOM 1449 CD2 HIS A 92 1.364 14.366 -13.189 1.00 31.35 C ATOM 1450 CE1 HIS A 92 -0.817 14.528 -13.143 1.00 15.52 C ATOM 1451 NE2 HIS A 92 0.275 13.994 -12.526 1.00 64.45 N ATOM 0 H HIS A 92 2.918 13.362 -15.393 1.00 63.05 H new ATOM 0 HA HIS A 92 1.295 15.069 -17.212 1.00 22.13 H new ATOM 0 HB2 HIS A 92 2.736 16.181 -14.866 1.00 64.53 H new ATOM 0 HB3 HIS A 92 1.264 16.716 -15.652 1.00 64.53 H new ATOM 0 HD1 HIS A 92 -0.990 15.746 -14.836 1.00 31.24 H new ATOM 0 HD2 HIS A 92 2.379 14.096 -12.938 1.00 31.35 H new ATOM 0 HE1 HIS A 92 -1.845 14.400 -12.836 1.00 15.52 H new ATOM 1459 N GLY A 93 4.496 15.363 -16.483 1.00 73.22 N ATOM 1460 CA GLY A 93 5.785 15.740 -17.037 1.00 23.43 C ATOM 1461 C GLY A 93 6.743 16.196 -15.934 1.00 60.12 C ATOM 1462 O GLY A 93 6.326 16.421 -14.799 1.00 24.52 O ATOM 0 H GLY A 93 4.514 15.106 -15.496 1.00 73.22 H new ATOM 0 HA2 GLY A 93 6.217 14.894 -17.572 1.00 23.43 H new ATOM 0 HA3 GLY A 93 5.652 16.542 -17.763 1.00 23.43 H new ATOM 1466 N THR A 94 8.008 16.319 -16.307 1.00 43.33 N ATOM 1467 CA THR A 94 9.029 16.745 -15.364 1.00 74.23 C ATOM 1468 C THR A 94 9.608 18.099 -15.780 1.00 35.42 C ATOM 1469 O THR A 94 9.601 18.445 -16.960 1.00 72.21 O ATOM 1470 CB THR A 94 10.080 15.637 -15.273 1.00 74.31 C ATOM 1471 OG1 THR A 94 9.328 14.434 -15.408 1.00 62.54 O ATOM 1472 CG2 THR A 94 10.701 15.533 -13.879 1.00 24.31 C ATOM 0 H THR A 94 8.350 16.131 -17.249 1.00 43.33 H new ATOM 0 HA THR A 94 8.610 16.898 -14.370 1.00 74.23 H new ATOM 0 HB THR A 94 10.864 15.819 -16.007 1.00 74.31 H new ATOM 0 HG1 THR A 94 9.928 13.663 -15.330 1.00 62.54 H new ATOM 0 HG21 THR A 94 11.440 14.732 -13.869 1.00 24.31 H new ATOM 0 HG22 THR A 94 11.185 16.476 -13.625 1.00 24.31 H new ATOM 0 HG23 THR A 94 9.921 15.317 -13.149 1.00 24.31 H new ATOM 1480 N PHE A 95 10.095 18.828 -14.787 1.00 34.24 N ATOM 1481 CA PHE A 95 10.676 20.136 -15.034 1.00 43.11 C ATOM 1482 C PHE A 95 11.964 20.325 -14.229 1.00 15.11 C ATOM 1483 O PHE A 95 12.203 19.610 -13.258 1.00 20.44 O ATOM 1484 CB PHE A 95 9.649 21.175 -14.582 1.00 14.33 C ATOM 1485 CG PHE A 95 8.643 21.569 -15.666 1.00 33.54 C ATOM 1486 CD1 PHE A 95 7.738 20.659 -16.116 1.00 31.41 C ATOM 1487 CD2 PHE A 95 8.653 22.828 -16.178 1.00 45.15 C ATOM 1488 CE1 PHE A 95 6.804 21.024 -17.122 1.00 23.42 C ATOM 1489 CE2 PHE A 95 7.720 23.193 -17.184 1.00 50.03 C ATOM 1490 CZ PHE A 95 6.815 22.283 -17.635 1.00 1.23 C ATOM 0 H PHE A 95 10.099 18.537 -13.809 1.00 34.24 H new ATOM 0 HA PHE A 95 10.921 20.240 -16.091 1.00 43.11 H new ATOM 0 HB2 PHE A 95 9.106 20.784 -13.722 1.00 14.33 H new ATOM 0 HB3 PHE A 95 10.175 22.069 -14.247 1.00 14.33 H new ATOM 0 HD1 PHE A 95 7.729 19.659 -15.708 1.00 31.41 H new ATOM 0 HD2 PHE A 95 9.371 23.551 -15.820 1.00 45.15 H new ATOM 0 HE1 PHE A 95 6.085 20.301 -17.479 1.00 23.42 H new ATOM 0 HE2 PHE A 95 7.729 24.193 -17.591 1.00 50.03 H new ATOM 0 HZ PHE A 95 6.105 22.561 -18.400 1.00 1.23 H new ATOM 1500 N LEU A 96 12.758 21.292 -14.663 1.00 3.44 N ATOM 1501 CA LEU A 96 14.015 21.585 -13.994 1.00 60.53 C ATOM 1502 C LEU A 96 13.981 23.016 -13.456 1.00 54.30 C ATOM 1503 O LEU A 96 14.868 23.816 -13.751 1.00 73.30 O ATOM 1504 CB LEU A 96 15.195 21.307 -14.927 1.00 63.54 C ATOM 1505 CG LEU A 96 16.588 21.490 -14.320 1.00 52.25 C ATOM 1506 CD1 LEU A 96 16.626 20.990 -12.875 1.00 64.33 C ATOM 1507 CD2 LEU A 96 17.656 20.821 -15.187 1.00 44.24 C ATOM 0 H LEU A 96 12.556 21.883 -15.469 1.00 3.44 H new ATOM 0 HA LEU A 96 14.153 20.926 -13.137 1.00 60.53 H new ATOM 0 HB2 LEU A 96 15.111 20.283 -15.292 1.00 63.54 H new ATOM 0 HB3 LEU A 96 15.109 21.962 -15.794 1.00 63.54 H new ATOM 0 HG LEU A 96 16.814 22.556 -14.297 1.00 52.25 H new ATOM 0 HD11 LEU A 96 17.627 21.131 -12.467 1.00 64.33 H new ATOM 0 HD12 LEU A 96 15.908 21.551 -12.277 1.00 64.33 H new ATOM 0 HD13 LEU A 96 16.370 19.931 -12.850 1.00 64.33 H new ATOM 0 HD21 LEU A 96 18.636 20.966 -14.733 1.00 44.24 H new ATOM 0 HD22 LEU A 96 17.446 19.754 -15.264 1.00 44.24 H new ATOM 0 HD23 LEU A 96 17.648 21.265 -16.182 1.00 44.24 H new ATOM 1519 N GLY A 97 12.947 23.296 -12.676 1.00 0.41 N ATOM 1520 CA GLY A 97 12.785 24.618 -12.094 1.00 23.13 C ATOM 1521 C GLY A 97 11.841 25.477 -12.937 1.00 61.11 C ATOM 1522 O GLY A 97 10.746 25.820 -12.494 1.00 41.22 O ATOM 0 H GLY A 97 12.213 22.630 -12.433 1.00 0.41 H new ATOM 0 HA2 GLY A 97 12.393 24.528 -11.081 1.00 23.13 H new ATOM 0 HA3 GLY A 97 13.756 25.107 -12.017 1.00 23.13 H new ATOM 1526 N HIS A 98 12.300 25.799 -14.138 1.00 15.44 N ATOM 1527 CA HIS A 98 11.509 26.612 -15.047 1.00 64.21 C ATOM 1528 C HIS A 98 11.553 26.002 -16.450 1.00 30.14 C ATOM 1529 O HIS A 98 11.115 26.625 -17.415 1.00 40.14 O ATOM 1530 CB HIS A 98 11.976 28.069 -15.019 1.00 61.52 C ATOM 1531 CG HIS A 98 12.994 28.408 -16.082 1.00 75.14 C ATOM 1532 ND1 HIS A 98 14.350 28.493 -15.822 1.00 61.30 N ATOM 1533 CD2 HIS A 98 12.838 28.681 -17.410 1.00 2.44 C ATOM 1534 CE1 HIS A 98 14.973 28.805 -16.949 1.00 25.24 C ATOM 1535 NE2 HIS A 98 14.035 28.922 -17.931 1.00 72.23 N ATOM 0 H HIS A 98 13.208 25.512 -14.502 1.00 15.44 H new ATOM 0 HA HIS A 98 10.468 26.619 -14.723 1.00 64.21 H new ATOM 0 HB2 HIS A 98 11.110 28.720 -15.139 1.00 61.52 H new ATOM 0 HB3 HIS A 98 12.403 28.284 -14.040 1.00 61.52 H new ATOM 0 HD2 HIS A 98 11.900 28.698 -17.946 1.00 2.44 H new ATOM 0 HE1 HIS A 98 16.038 28.943 -17.069 1.00 25.24 H new ATOM 0 HE2 HIS A 98 14.222 29.156 -18.906 1.00 72.23 H new ATOM 1543 N ILE A 99 12.085 24.791 -16.517 1.00 24.51 N ATOM 1544 CA ILE A 99 12.192 24.089 -17.785 1.00 51.31 C ATOM 1545 C ILE A 99 11.392 22.787 -17.712 1.00 2.04 C ATOM 1546 O ILE A 99 11.096 22.297 -16.623 1.00 53.00 O ATOM 1547 CB ILE A 99 13.660 23.889 -18.165 1.00 25.55 C ATOM 1548 CG1 ILE A 99 14.477 25.152 -17.885 1.00 54.34 C ATOM 1549 CG2 ILE A 99 13.793 23.430 -19.618 1.00 64.21 C ATOM 1550 CD1 ILE A 99 15.976 24.879 -18.025 1.00 75.02 C ATOM 0 H ILE A 99 12.447 24.277 -15.713 1.00 24.51 H new ATOM 0 HA ILE A 99 11.758 24.685 -18.588 1.00 51.31 H new ATOM 0 HB ILE A 99 14.069 23.096 -17.539 1.00 25.55 H new ATOM 0 HG12 ILE A 99 14.182 25.941 -18.577 1.00 54.34 H new ATOM 0 HG13 ILE A 99 14.262 25.513 -16.879 1.00 54.34 H new ATOM 0 HG21 ILE A 99 14.847 23.295 -19.862 1.00 64.21 H new ATOM 0 HG22 ILE A 99 13.266 22.485 -19.751 1.00 64.21 H new ATOM 0 HG23 ILE A 99 13.361 24.182 -20.278 1.00 64.21 H new ATOM 0 HD11 ILE A 99 16.533 25.793 -17.821 1.00 75.02 H new ATOM 0 HD12 ILE A 99 16.273 24.107 -17.315 1.00 75.02 H new ATOM 0 HD13 ILE A 99 16.191 24.542 -19.039 1.00 75.02 H new ATOM 1562 N ARG A 100 11.066 22.264 -18.884 1.00 73.51 N ATOM 1563 CA ARG A 100 10.306 21.028 -18.966 1.00 70.44 C ATOM 1564 C ARG A 100 11.078 19.983 -19.776 1.00 14.25 C ATOM 1565 O ARG A 100 11.806 20.327 -20.705 1.00 70.02 O ATOM 1566 CB ARG A 100 8.942 21.262 -19.618 1.00 51.05 C ATOM 1567 CG ARG A 100 9.066 21.321 -21.142 1.00 54.44 C ATOM 1568 CD ARG A 100 8.781 19.955 -21.769 1.00 51.02 C ATOM 1569 NE ARG A 100 7.469 19.450 -21.307 1.00 71.31 N ATOM 1570 CZ ARG A 100 6.297 19.710 -21.925 1.00 42.20 C ATOM 1571 NH1 ARG A 100 6.264 20.474 -23.038 1.00 3.14 N ATOM 1572 NH2 ARG A 100 5.184 19.207 -21.425 1.00 21.12 N ATOM 0 H ARG A 100 11.314 22.673 -19.785 1.00 73.51 H new ATOM 0 HA ARG A 100 10.153 20.665 -17.950 1.00 70.44 H new ATOM 0 HB2 ARG A 100 8.258 20.462 -19.336 1.00 51.05 H new ATOM 0 HB3 ARG A 100 8.513 22.193 -19.248 1.00 51.05 H new ATOM 0 HG2 ARG A 100 8.369 22.060 -21.539 1.00 54.44 H new ATOM 0 HG3 ARG A 100 10.069 21.649 -21.416 1.00 54.44 H new ATOM 0 HD2 ARG A 100 8.786 20.036 -22.856 1.00 51.02 H new ATOM 0 HD3 ARG A 100 9.567 19.250 -21.498 1.00 51.02 H new ATOM 0 HE ARG A 100 7.449 18.869 -20.469 1.00 71.31 H new ATOM 0 HH11 ARG A 100 7.129 20.859 -23.418 1.00 3.14 H new ATOM 0 HH12 ARG A 100 5.374 20.666 -23.499 1.00 3.14 H new ATOM 0 HH21 ARG A 100 5.217 18.631 -20.584 1.00 21.12 H new ATOM 0 HH22 ARG A 100 4.290 19.394 -21.880 1.00 21.12 H new ATOM 1585 N LEU A 101 10.892 18.729 -19.392 1.00 75.44 N ATOM 1586 CA LEU A 101 11.561 17.632 -20.071 1.00 21.23 C ATOM 1587 C LEU A 101 10.526 16.799 -20.829 1.00 32.20 C ATOM 1588 O LEU A 101 9.330 16.886 -20.552 1.00 64.12 O ATOM 1589 CB LEU A 101 12.398 16.820 -19.080 1.00 35.22 C ATOM 1590 CG LEU A 101 12.463 17.366 -17.652 1.00 35.52 C ATOM 1591 CD1 LEU A 101 13.364 16.496 -16.773 1.00 50.11 C ATOM 1592 CD2 LEU A 101 12.898 18.832 -17.645 1.00 14.33 C ATOM 0 H LEU A 101 10.288 18.448 -18.620 1.00 75.44 H new ATOM 0 HA LEU A 101 12.265 18.014 -20.810 1.00 21.23 H new ATOM 0 HB2 LEU A 101 11.999 15.807 -19.042 1.00 35.22 H new ATOM 0 HB3 LEU A 101 13.414 16.748 -19.467 1.00 35.22 H new ATOM 0 HG LEU A 101 11.461 17.326 -17.225 1.00 35.52 H new ATOM 0 HD11 LEU A 101 13.393 16.906 -15.763 1.00 50.11 H new ATOM 0 HD12 LEU A 101 12.970 15.480 -16.741 1.00 50.11 H new ATOM 0 HD13 LEU A 101 14.372 16.481 -17.188 1.00 50.11 H new ATOM 0 HD21 LEU A 101 12.936 19.195 -16.618 1.00 14.33 H new ATOM 0 HD22 LEU A 101 13.885 18.921 -18.098 1.00 14.33 H new ATOM 0 HD23 LEU A 101 12.183 19.426 -18.214 1.00 14.33 H new ATOM 1604 N GLU A 102 11.023 16.010 -21.771 1.00 15.14 N ATOM 1605 CA GLU A 102 10.155 15.162 -22.571 1.00 4.12 C ATOM 1606 C GLU A 102 9.934 13.819 -21.872 1.00 12.44 C ATOM 1607 O GLU A 102 10.746 13.403 -21.047 1.00 11.41 O ATOM 1608 CB GLU A 102 10.729 14.961 -23.975 1.00 0.02 C ATOM 1609 CG GLU A 102 11.025 16.305 -24.644 1.00 74.21 C ATOM 1610 CD GLU A 102 10.044 16.575 -25.787 1.00 42.42 C ATOM 1611 OE1 GLU A 102 9.206 15.717 -26.101 1.00 43.15 O ATOM 1612 OE2 GLU A 102 10.174 17.726 -26.356 1.00 11.12 O ATOM 0 H GLU A 102 12.015 15.940 -21.998 1.00 15.14 H new ATOM 0 HA GLU A 102 9.190 15.658 -22.675 1.00 4.12 H new ATOM 0 HB2 GLU A 102 11.643 14.371 -23.917 1.00 0.02 H new ATOM 0 HB3 GLU A 102 10.023 14.396 -24.583 1.00 0.02 H new ATOM 0 HG2 GLU A 102 10.959 17.105 -23.907 1.00 74.21 H new ATOM 0 HG3 GLU A 102 12.045 16.308 -25.027 1.00 74.21 H new ATOM 1620 N PRO A 103 8.801 13.162 -22.236 1.00 73.53 N ATOM 1621 CA PRO A 103 8.462 11.874 -21.653 1.00 40.53 C ATOM 1622 C PRO A 103 9.337 10.762 -22.235 1.00 33.23 C ATOM 1623 O PRO A 103 8.824 9.772 -22.755 1.00 10.12 O ATOM 1624 CB PRO A 103 6.984 11.685 -21.951 1.00 34.33 C ATOM 1625 CG PRO A 103 6.660 12.645 -23.084 1.00 13.04 C ATOM 1626 CD PRO A 103 7.816 13.624 -23.210 1.00 33.32 C ATOM 0 HA PRO A 103 8.646 11.836 -20.579 1.00 40.53 H new ATOM 0 HB2 PRO A 103 6.772 10.655 -22.239 1.00 34.33 H new ATOM 0 HB3 PRO A 103 6.378 11.901 -21.071 1.00 34.33 H new ATOM 0 HG2 PRO A 103 6.518 12.100 -24.017 1.00 13.04 H new ATOM 0 HG3 PRO A 103 5.730 13.176 -22.880 1.00 13.04 H new ATOM 0 HD2 PRO A 103 8.227 13.624 -24.220 1.00 33.32 H new ATOM 0 HD3 PRO A 103 7.496 14.644 -22.996 1.00 33.32 H new ATOM 1634 N HIS A 104 10.642 10.962 -22.127 1.00 30.41 N ATOM 1635 CA HIS A 104 11.593 9.987 -22.635 1.00 53.53 C ATOM 1636 C HIS A 104 12.986 10.616 -22.700 1.00 62.14 C ATOM 1637 O HIS A 104 13.967 10.004 -22.282 1.00 24.24 O ATOM 1638 CB HIS A 104 11.130 9.429 -23.983 1.00 5.42 C ATOM 1639 CG HIS A 104 10.445 8.087 -23.889 1.00 65.21 C ATOM 1640 ND1 HIS A 104 11.026 6.990 -23.277 1.00 24.02 N ATOM 1641 CD2 HIS A 104 9.223 7.677 -24.335 1.00 24.31 C ATOM 1642 CE1 HIS A 104 10.184 5.971 -23.357 1.00 75.04 C ATOM 1643 NE2 HIS A 104 9.067 6.398 -24.014 1.00 11.41 N ATOM 0 H HIS A 104 11.064 11.784 -21.695 1.00 30.41 H new ATOM 0 HA HIS A 104 11.648 9.137 -21.955 1.00 53.53 H new ATOM 0 HB2 HIS A 104 10.447 10.142 -24.445 1.00 5.42 H new ATOM 0 HB3 HIS A 104 11.993 9.340 -24.643 1.00 5.42 H new ATOM 0 HD2 HIS A 104 8.504 8.289 -24.860 1.00 24.31 H new ATOM 0 HE1 HIS A 104 10.352 4.977 -22.970 1.00 75.04 H new ATOM 0 HE2 HIS A 104 8.247 5.829 -24.224 1.00 11.41 H new ATOM 1651 N LYS A 105 13.028 11.830 -23.229 1.00 5.22 N ATOM 1652 CA LYS A 105 14.285 12.548 -23.354 1.00 43.41 C ATOM 1653 C LYS A 105 14.746 13.006 -21.969 1.00 5.21 C ATOM 1654 O LYS A 105 14.003 13.675 -21.253 1.00 31.33 O ATOM 1655 CB LYS A 105 14.152 13.688 -24.366 1.00 4.41 C ATOM 1656 CG LYS A 105 13.411 13.224 -25.621 1.00 62.22 C ATOM 1657 CD LYS A 105 13.989 13.884 -26.875 1.00 31.42 C ATOM 1658 CE LYS A 105 13.307 15.225 -27.152 1.00 61.23 C ATOM 1659 NZ LYS A 105 14.064 16.331 -26.524 1.00 63.34 N ATOM 0 H LYS A 105 12.212 12.334 -23.576 1.00 5.22 H new ATOM 0 HA LYS A 105 15.061 11.892 -23.748 1.00 43.41 H new ATOM 0 HB2 LYS A 105 13.617 14.522 -23.911 1.00 4.41 H new ATOM 0 HB3 LYS A 105 15.142 14.054 -24.638 1.00 4.41 H new ATOM 0 HG2 LYS A 105 13.483 12.140 -25.710 1.00 62.22 H new ATOM 0 HG3 LYS A 105 12.352 13.467 -25.533 1.00 62.22 H new ATOM 0 HD2 LYS A 105 15.061 14.036 -26.749 1.00 31.42 H new ATOM 0 HD3 LYS A 105 13.859 13.222 -27.731 1.00 31.42 H new ATOM 0 HE2 LYS A 105 13.237 15.389 -28.227 1.00 61.23 H new ATOM 0 HE3 LYS A 105 12.288 15.208 -26.765 1.00 61.23 H new ATOM 0 HZ1 LYS A 105 13.561 17.228 -26.678 1.00 63.34 H new ATOM 0 HZ2 LYS A 105 14.153 16.155 -25.503 1.00 63.34 H new ATOM 0 HZ3 LYS A 105 15.011 16.388 -26.949 1.00 63.34 H new ATOM 1672 N PRO A 106 16.003 12.618 -21.624 1.00 65.13 N ATOM 1673 CA PRO A 106 16.573 12.981 -20.338 1.00 14.13 C ATOM 1674 C PRO A 106 16.985 14.455 -20.317 1.00 33.53 C ATOM 1675 O PRO A 106 17.271 15.038 -21.361 1.00 62.41 O ATOM 1676 CB PRO A 106 17.745 12.034 -20.145 1.00 22.44 C ATOM 1677 CG PRO A 106 18.074 11.491 -21.526 1.00 24.22 C ATOM 1678 CD PRO A 106 16.913 11.826 -22.447 1.00 72.31 C ATOM 0 HA PRO A 106 15.860 12.882 -19.519 1.00 14.13 H new ATOM 0 HB2 PRO A 106 18.601 12.555 -19.716 1.00 22.44 H new ATOM 0 HB3 PRO A 106 17.486 11.227 -19.459 1.00 22.44 H new ATOM 0 HG2 PRO A 106 18.998 11.933 -21.900 1.00 24.22 H new ATOM 0 HG3 PRO A 106 18.230 10.413 -21.485 1.00 24.22 H new ATOM 0 HD2 PRO A 106 17.249 12.388 -23.319 1.00 72.31 H new ATOM 0 HD3 PRO A 106 16.428 10.923 -22.817 1.00 72.31 H new ATOM 1686 N GLN A 107 17.001 15.014 -19.116 1.00 4.11 N ATOM 1687 CA GLN A 107 17.374 16.408 -18.945 1.00 52.20 C ATOM 1688 C GLN A 107 18.393 16.551 -17.813 1.00 33.55 C ATOM 1689 O GLN A 107 18.063 16.340 -16.646 1.00 63.33 O ATOM 1690 CB GLN A 107 16.141 17.277 -18.686 1.00 44.11 C ATOM 1691 CG GLN A 107 16.530 18.590 -18.003 1.00 32.22 C ATOM 1692 CD GLN A 107 17.628 19.312 -18.786 1.00 70.22 C ATOM 1693 OE1 GLN A 107 17.602 19.401 -20.003 1.00 23.22 O ATOM 1694 NE2 GLN A 107 18.591 19.821 -18.023 1.00 63.24 N ATOM 0 H GLN A 107 16.762 14.527 -18.252 1.00 4.11 H new ATOM 0 HA GLN A 107 17.836 16.756 -19.869 1.00 52.20 H new ATOM 0 HB2 GLN A 107 15.636 17.489 -19.629 1.00 44.11 H new ATOM 0 HB3 GLN A 107 15.433 16.733 -18.060 1.00 44.11 H new ATOM 0 HG2 GLN A 107 15.654 19.234 -17.920 1.00 32.22 H new ATOM 0 HG3 GLN A 107 16.875 18.388 -16.989 1.00 32.22 H new ATOM 0 HE21 GLN A 107 18.551 19.710 -17.010 1.00 63.24 H new ATOM 0 HE22 GLN A 107 19.369 20.322 -18.451 1.00 63.24 H new ATOM 1703 N GLN A 108 19.610 16.907 -18.196 1.00 13.22 N ATOM 1704 CA GLN A 108 20.679 17.080 -17.227 1.00 52.10 C ATOM 1705 C GLN A 108 20.160 17.814 -15.989 1.00 33.01 C ATOM 1706 O GLN A 108 19.089 18.418 -16.024 1.00 74.35 O ATOM 1707 CB GLN A 108 21.865 17.821 -17.846 1.00 43.34 C ATOM 1708 CG GLN A 108 22.008 19.223 -17.250 1.00 1.01 C ATOM 1709 CD GLN A 108 23.177 19.975 -17.890 1.00 55.04 C ATOM 1710 OE1 GLN A 108 23.335 20.014 -19.099 1.00 65.45 O ATOM 1711 NE2 GLN A 108 23.983 20.569 -17.015 1.00 33.20 N ATOM 0 H GLN A 108 19.880 17.080 -19.164 1.00 13.22 H new ATOM 0 HA GLN A 108 21.028 16.094 -16.921 1.00 52.10 H new ATOM 0 HB2 GLN A 108 22.781 17.255 -17.676 1.00 43.34 H new ATOM 0 HB3 GLN A 108 21.730 17.893 -18.925 1.00 43.34 H new ATOM 0 HG2 GLN A 108 21.085 19.782 -17.402 1.00 1.01 H new ATOM 0 HG3 GLN A 108 22.164 19.150 -16.174 1.00 1.01 H new ATOM 0 HE21 GLN A 108 23.793 20.496 -16.016 1.00 33.20 H new ATOM 0 HE22 GLN A 108 24.791 21.097 -17.343 1.00 33.20 H new ATOM 1720 N ILE A 109 20.943 17.738 -14.923 1.00 62.13 N ATOM 1721 CA ILE A 109 20.576 18.387 -13.676 1.00 40.44 C ATOM 1722 C ILE A 109 21.823 19.007 -13.043 1.00 1.04 C ATOM 1723 O ILE A 109 22.708 18.291 -12.576 1.00 73.01 O ATOM 1724 CB ILE A 109 19.841 17.408 -12.758 1.00 43.54 C ATOM 1725 CG1 ILE A 109 18.810 16.593 -13.540 1.00 72.53 C ATOM 1726 CG2 ILE A 109 19.213 18.138 -11.569 1.00 41.13 C ATOM 1727 CD1 ILE A 109 17.594 17.448 -13.902 1.00 41.01 C ATOM 0 H ILE A 109 21.831 17.236 -14.897 1.00 62.13 H new ATOM 0 HA ILE A 109 19.875 19.200 -13.862 1.00 40.44 H new ATOM 0 HB ILE A 109 20.569 16.704 -12.355 1.00 43.54 H new ATOM 0 HG12 ILE A 109 19.266 16.200 -14.449 1.00 72.53 H new ATOM 0 HG13 ILE A 109 18.492 15.736 -12.946 1.00 72.53 H new ATOM 0 HG21 ILE A 109 18.697 17.419 -10.932 1.00 41.13 H new ATOM 0 HG22 ILE A 109 19.994 18.637 -10.995 1.00 41.13 H new ATOM 0 HG23 ILE A 109 18.500 18.879 -11.932 1.00 41.13 H new ATOM 0 HD11 ILE A 109 16.877 16.844 -14.458 1.00 41.01 H new ATOM 0 HD12 ILE A 109 17.126 17.820 -12.990 1.00 41.01 H new ATOM 0 HD13 ILE A 109 17.912 18.290 -14.516 1.00 41.01 H new ATOM 1739 N PRO A 110 21.855 20.367 -13.046 1.00 74.43 N ATOM 1740 CA PRO A 110 22.979 21.091 -12.477 1.00 74.35 C ATOM 1741 C PRO A 110 22.933 21.061 -10.948 1.00 54.44 C ATOM 1742 O PRO A 110 21.915 20.698 -10.361 1.00 74.13 O ATOM 1743 CB PRO A 110 22.871 22.495 -13.048 1.00 41.42 C ATOM 1744 CG PRO A 110 21.440 22.636 -13.542 1.00 3.32 C ATOM 1745 CD PRO A 110 20.825 21.247 -13.590 1.00 11.40 C ATOM 0 HA PRO A 110 23.940 20.645 -12.732 1.00 74.35 H new ATOM 0 HB2 PRO A 110 23.098 23.244 -12.289 1.00 41.42 H new ATOM 0 HB3 PRO A 110 23.581 22.641 -13.862 1.00 41.42 H new ATOM 0 HG2 PRO A 110 20.869 23.284 -12.877 1.00 3.32 H new ATOM 0 HG3 PRO A 110 21.421 23.096 -14.530 1.00 3.32 H new ATOM 0 HD2 PRO A 110 19.910 21.198 -12.999 1.00 11.40 H new ATOM 0 HD3 PRO A 110 20.562 20.965 -14.610 1.00 11.40 H new ATOM 1753 N ILE A 111 24.048 21.449 -10.347 1.00 53.11 N ATOM 1754 CA ILE A 111 24.147 21.472 -8.898 1.00 24.13 C ATOM 1755 C ILE A 111 23.332 22.647 -8.353 1.00 62.42 C ATOM 1756 O ILE A 111 23.153 23.653 -9.038 1.00 30.33 O ATOM 1757 CB ILE A 111 25.614 21.487 -8.462 1.00 31.33 C ATOM 1758 CG1 ILE A 111 26.406 20.381 -9.164 1.00 13.45 C ATOM 1759 CG2 ILE A 111 25.734 21.399 -6.939 1.00 1.31 C ATOM 1760 CD1 ILE A 111 25.758 19.014 -8.937 1.00 14.14 C ATOM 0 H ILE A 111 24.890 21.750 -10.837 1.00 53.11 H new ATOM 0 HA ILE A 111 23.720 20.564 -8.473 1.00 24.13 H new ATOM 0 HB ILE A 111 26.051 22.438 -8.765 1.00 31.33 H new ATOM 0 HG12 ILE A 111 26.459 20.589 -10.233 1.00 13.45 H new ATOM 0 HG13 ILE A 111 27.430 20.369 -8.790 1.00 13.45 H new ATOM 0 HG21 ILE A 111 26.786 21.411 -6.656 1.00 1.31 H new ATOM 0 HG22 ILE A 111 25.226 22.249 -6.484 1.00 1.31 H new ATOM 0 HG23 ILE A 111 25.275 20.473 -6.591 1.00 1.31 H new ATOM 0 HD11 ILE A 111 26.340 18.246 -9.446 1.00 14.14 H new ATOM 0 HD12 ILE A 111 25.728 18.798 -7.869 1.00 14.14 H new ATOM 0 HD13 ILE A 111 24.743 19.022 -9.334 1.00 14.14 H new ATOM 1772 N ASP A 112 22.860 22.480 -7.127 1.00 31.54 N ATOM 1773 CA ASP A 112 22.068 23.513 -6.482 1.00 51.54 C ATOM 1774 C ASP A 112 20.897 23.894 -7.391 1.00 64.13 C ATOM 1775 O ASP A 112 20.316 24.968 -7.244 1.00 31.31 O ATOM 1776 CB ASP A 112 22.902 24.772 -6.234 1.00 60.31 C ATOM 1777 CG ASP A 112 23.638 24.806 -4.893 1.00 73.30 C ATOM 1778 OD1 ASP A 112 23.406 25.694 -4.060 1.00 11.23 O ATOM 1779 OD2 ASP A 112 24.493 23.856 -4.716 1.00 53.01 O ATOM 0 H ASP A 112 23.011 21.644 -6.563 1.00 31.54 H new ATOM 0 HA ASP A 112 21.714 23.121 -5.529 1.00 51.54 H new ATOM 0 HB2 ASP A 112 23.634 24.868 -7.036 1.00 60.31 H new ATOM 0 HB3 ASP A 112 22.247 25.641 -6.294 1.00 60.31 H new ATOM 1785 N SER A 113 20.587 22.992 -8.311 1.00 52.32 N ATOM 1786 CA SER A 113 19.496 23.220 -9.244 1.00 22.00 C ATOM 1787 C SER A 113 18.154 22.987 -8.547 1.00 3.01 C ATOM 1788 O SER A 113 18.097 22.875 -7.323 1.00 64.23 O ATOM 1789 CB SER A 113 19.622 22.313 -10.470 1.00 11.40 C ATOM 1790 OG SER A 113 18.518 22.461 -11.359 1.00 12.42 O ATOM 0 H SER A 113 21.072 22.103 -8.430 1.00 52.32 H new ATOM 0 HA SER A 113 19.547 24.254 -9.584 1.00 22.00 H new ATOM 0 HB2 SER A 113 20.547 22.544 -10.999 1.00 11.40 H new ATOM 0 HB3 SER A 113 19.691 21.274 -10.147 1.00 11.40 H new ATOM 0 HG SER A 113 18.815 22.910 -12.178 1.00 12.42 H new ATOM 1796 N THR A 114 17.107 22.921 -9.356 1.00 1.30 N ATOM 1797 CA THR A 114 15.769 22.704 -8.832 1.00 63.23 C ATOM 1798 C THR A 114 14.862 22.116 -9.915 1.00 21.42 C ATOM 1799 O THR A 114 14.736 22.682 -10.999 1.00 63.35 O ATOM 1800 CB THR A 114 15.260 24.032 -8.269 1.00 4.12 C ATOM 1801 OG1 THR A 114 16.163 24.327 -7.206 1.00 40.03 O ATOM 1802 CG2 THR A 114 13.903 23.893 -7.577 1.00 30.13 C ATOM 0 H THR A 114 17.158 23.014 -10.370 1.00 1.30 H new ATOM 0 HA THR A 114 15.775 21.973 -8.024 1.00 63.23 H new ATOM 0 HB THR A 114 15.183 24.762 -9.075 1.00 4.12 H new ATOM 0 HG1 THR A 114 16.554 23.494 -6.868 1.00 40.03 H new ATOM 0 HG21 THR A 114 13.588 24.864 -7.196 1.00 30.13 H new ATOM 0 HG22 THR A 114 13.166 23.527 -8.292 1.00 30.13 H new ATOM 0 HG23 THR A 114 13.987 23.188 -6.750 1.00 30.13 H new ATOM 1810 N VAL A 115 14.253 20.987 -9.582 1.00 61.13 N ATOM 1811 CA VAL A 115 13.361 20.316 -10.512 1.00 62.45 C ATOM 1812 C VAL A 115 11.994 20.123 -9.853 1.00 23.14 C ATOM 1813 O VAL A 115 11.902 19.999 -8.632 1.00 60.24 O ATOM 1814 CB VAL A 115 13.988 19.002 -10.983 1.00 63.22 C ATOM 1815 CG1 VAL A 115 15.376 18.806 -10.369 1.00 71.32 C ATOM 1816 CG2 VAL A 115 13.076 17.815 -10.667 1.00 61.25 C ATOM 0 H VAL A 115 14.360 20.520 -8.681 1.00 61.13 H new ATOM 0 HA VAL A 115 13.209 20.926 -11.402 1.00 62.45 H new ATOM 0 HB VAL A 115 14.105 19.055 -12.065 1.00 63.22 H new ATOM 0 HG11 VAL A 115 15.799 17.865 -10.720 1.00 71.32 H new ATOM 0 HG12 VAL A 115 16.025 19.629 -10.667 1.00 71.32 H new ATOM 0 HG13 VAL A 115 15.293 18.784 -9.282 1.00 71.32 H new ATOM 0 HG21 VAL A 115 13.545 16.894 -11.012 1.00 61.25 H new ATOM 0 HG22 VAL A 115 12.913 17.758 -9.591 1.00 61.25 H new ATOM 0 HG23 VAL A 115 12.119 17.946 -11.173 1.00 61.25 H new ATOM 1826 N SER A 116 10.967 20.104 -10.689 1.00 33.03 N ATOM 1827 CA SER A 116 9.609 19.929 -10.202 1.00 31.52 C ATOM 1828 C SER A 116 8.850 18.957 -11.108 1.00 14.12 C ATOM 1829 O SER A 116 8.544 19.282 -12.254 1.00 72.31 O ATOM 1830 CB SER A 116 8.874 21.268 -10.126 1.00 13.13 C ATOM 1831 OG SER A 116 8.286 21.626 -11.373 1.00 74.14 O ATOM 0 H SER A 116 11.048 20.207 -11.701 1.00 33.03 H new ATOM 0 HA SER A 116 9.657 19.515 -9.195 1.00 31.52 H new ATOM 0 HB2 SER A 116 8.098 21.213 -9.362 1.00 13.13 H new ATOM 0 HB3 SER A 116 9.571 22.047 -9.817 1.00 13.13 H new ATOM 0 HG SER A 116 8.244 20.837 -11.953 1.00 74.14 H new ATOM 1837 N PHE A 117 8.567 17.785 -10.559 1.00 62.43 N ATOM 1838 CA PHE A 117 7.849 16.764 -11.304 1.00 25.45 C ATOM 1839 C PHE A 117 6.413 17.204 -11.592 1.00 72.34 C ATOM 1840 O PHE A 117 5.965 18.237 -11.098 1.00 1.12 O ATOM 1841 CB PHE A 117 7.820 15.510 -10.428 1.00 33.54 C ATOM 1842 CG PHE A 117 9.106 14.682 -10.482 1.00 13.24 C ATOM 1843 CD1 PHE A 117 10.314 15.294 -10.354 1.00 74.11 C ATOM 1844 CD2 PHE A 117 9.041 13.335 -10.657 1.00 12.11 C ATOM 1845 CE1 PHE A 117 11.507 14.526 -10.404 1.00 41.10 C ATOM 1846 CE2 PHE A 117 10.234 12.567 -10.707 1.00 2.31 C ATOM 1847 CZ PHE A 117 11.442 13.179 -10.579 1.00 62.04 C ATOM 0 H PHE A 117 8.822 17.519 -9.608 1.00 62.43 H new ATOM 0 HA PHE A 117 8.343 16.583 -12.259 1.00 25.45 H new ATOM 0 HB2 PHE A 117 7.633 15.805 -9.395 1.00 33.54 H new ATOM 0 HB3 PHE A 117 6.983 14.883 -10.737 1.00 33.54 H new ATOM 0 HD1 PHE A 117 10.366 16.364 -10.214 1.00 74.11 H new ATOM 0 HD2 PHE A 117 8.082 12.849 -10.758 1.00 12.11 H new ATOM 0 HE1 PHE A 117 12.466 15.012 -10.303 1.00 41.10 H new ATOM 0 HE2 PHE A 117 10.182 11.497 -10.847 1.00 2.31 H new ATOM 0 HZ PHE A 117 12.350 12.595 -10.616 1.00 62.04 H new ATOM 1857 N GLY A 118 5.730 16.397 -12.392 1.00 43.40 N ATOM 1858 CA GLY A 118 4.354 16.691 -12.753 1.00 34.33 C ATOM 1859 C GLY A 118 3.555 17.159 -11.534 1.00 64.02 C ATOM 1860 O GLY A 118 3.374 18.358 -11.330 1.00 54.32 O ATOM 0 H GLY A 118 6.104 15.540 -12.800 1.00 43.40 H new ATOM 0 HA2 GLY A 118 4.333 17.462 -13.524 1.00 34.33 H new ATOM 0 HA3 GLY A 118 3.888 15.802 -13.178 1.00 34.33 H new ATOM 1864 N ALA A 119 3.100 16.188 -10.756 1.00 63.01 N ATOM 1865 CA ALA A 119 2.326 16.486 -9.563 1.00 72.32 C ATOM 1866 C ALA A 119 3.253 17.053 -8.487 1.00 2.32 C ATOM 1867 O ALA A 119 3.192 18.241 -8.173 1.00 43.24 O ATOM 1868 CB ALA A 119 1.598 15.223 -9.099 1.00 33.23 C ATOM 0 H ALA A 119 3.252 15.194 -10.928 1.00 63.01 H new ATOM 0 HA ALA A 119 1.568 17.240 -9.775 1.00 72.32 H new ATOM 0 HB1 ALA A 119 1.017 15.446 -8.204 1.00 33.23 H new ATOM 0 HB2 ALA A 119 0.930 14.877 -9.888 1.00 33.23 H new ATOM 0 HB3 ALA A 119 2.327 14.445 -8.874 1.00 33.23 H new ATOM 1874 N SER A 120 4.090 16.178 -7.950 1.00 62.43 N ATOM 1875 CA SER A 120 5.029 16.577 -6.916 1.00 21.44 C ATOM 1876 C SER A 120 5.536 17.995 -7.187 1.00 75.41 C ATOM 1877 O SER A 120 6.446 18.189 -7.991 1.00 52.31 O ATOM 1878 CB SER A 120 6.204 15.600 -6.832 1.00 1.31 C ATOM 1879 OG SER A 120 6.294 14.773 -7.989 1.00 4.22 O ATOM 0 H SER A 120 4.137 15.193 -8.212 1.00 62.43 H new ATOM 0 HA SER A 120 4.509 16.561 -5.958 1.00 21.44 H new ATOM 0 HB2 SER A 120 7.132 16.159 -6.713 1.00 1.31 H new ATOM 0 HB3 SER A 120 6.093 14.974 -5.947 1.00 1.31 H new ATOM 0 HG SER A 120 5.570 14.113 -7.976 1.00 4.22 H new ATOM 1885 N THR A 121 4.924 18.949 -6.501 1.00 35.41 N ATOM 1886 CA THR A 121 5.301 20.343 -6.658 1.00 31.01 C ATOM 1887 C THR A 121 6.679 20.595 -6.043 1.00 32.03 C ATOM 1888 O THR A 121 7.220 21.694 -6.153 1.00 22.01 O ATOM 1889 CB THR A 121 4.195 21.204 -6.045 1.00 31.04 C ATOM 1890 OG1 THR A 121 4.352 21.023 -4.640 1.00 64.30 O ATOM 1891 CG2 THR A 121 2.796 20.656 -6.336 1.00 44.14 C ATOM 0 H THR A 121 4.169 18.784 -5.835 1.00 35.41 H new ATOM 0 HA THR A 121 5.395 20.611 -7.710 1.00 31.01 H new ATOM 0 HB THR A 121 4.274 22.221 -6.428 1.00 31.04 H new ATOM 0 HG1 THR A 121 3.675 21.548 -4.165 1.00 64.30 H new ATOM 0 HG21 THR A 121 2.049 21.304 -5.878 1.00 44.14 H new ATOM 0 HG22 THR A 121 2.636 20.622 -7.414 1.00 44.14 H new ATOM 0 HG23 THR A 121 2.706 19.651 -5.924 1.00 44.14 H new ATOM 1899 N ARG A 122 7.207 19.559 -5.408 1.00 73.44 N ATOM 1900 CA ARG A 122 8.511 19.654 -4.775 1.00 63.35 C ATOM 1901 C ARG A 122 9.499 20.369 -5.700 1.00 32.41 C ATOM 1902 O ARG A 122 9.210 20.582 -6.876 1.00 62.04 O ATOM 1903 CB ARG A 122 9.058 18.267 -4.430 1.00 45.34 C ATOM 1904 CG ARG A 122 8.261 17.631 -3.290 1.00 55.14 C ATOM 1905 CD ARG A 122 8.163 18.579 -2.094 1.00 14.52 C ATOM 1906 NE ARG A 122 7.837 17.816 -0.868 1.00 54.34 N ATOM 1907 CZ ARG A 122 6.580 17.542 -0.459 1.00 54.52 C ATOM 1908 NH1 ARG A 122 5.518 17.968 -1.176 1.00 13.31 N ATOM 1909 NH2 ARG A 122 6.404 16.852 0.652 1.00 4.32 N ATOM 0 H ARG A 122 6.755 18.649 -5.318 1.00 73.44 H new ATOM 0 HA ARG A 122 8.392 20.225 -3.854 1.00 63.35 H new ATOM 0 HB2 ARG A 122 9.015 17.626 -5.310 1.00 45.34 H new ATOM 0 HB3 ARG A 122 10.107 18.347 -4.145 1.00 45.34 H new ATOM 0 HG2 ARG A 122 7.260 17.376 -3.639 1.00 55.14 H new ATOM 0 HG3 ARG A 122 8.738 16.700 -2.983 1.00 55.14 H new ATOM 0 HD2 ARG A 122 9.106 19.110 -1.962 1.00 14.52 H new ATOM 0 HD3 ARG A 122 7.397 19.332 -2.278 1.00 14.52 H new ATOM 0 HE ARG A 122 8.611 17.476 -0.297 1.00 54.34 H new ATOM 0 HH11 ARG A 122 5.662 18.501 -2.034 1.00 13.31 H new ATOM 0 HH12 ARG A 122 4.571 17.757 -0.860 1.00 13.31 H new ATOM 0 HH21 ARG A 122 7.211 16.534 1.188 1.00 4.32 H new ATOM 0 HH22 ARG A 122 5.461 16.637 0.975 1.00 4.32 H new ATOM 1922 N ALA A 123 10.644 20.719 -5.133 1.00 13.04 N ATOM 1923 CA ALA A 123 11.676 21.406 -5.891 1.00 74.52 C ATOM 1924 C ALA A 123 13.009 20.680 -5.702 1.00 43.10 C ATOM 1925 O ALA A 123 13.979 21.270 -5.227 1.00 34.54 O ATOM 1926 CB ALA A 123 11.741 22.870 -5.454 1.00 44.33 C ATOM 0 H ALA A 123 10.880 20.540 -4.157 1.00 13.04 H new ATOM 0 HA ALA A 123 11.443 21.395 -6.956 1.00 74.52 H new ATOM 0 HB1 ALA A 123 12.515 23.385 -6.023 1.00 44.33 H new ATOM 0 HB2 ALA A 123 10.778 23.347 -5.637 1.00 44.33 H new ATOM 0 HB3 ALA A 123 11.976 22.922 -4.391 1.00 44.33 H new ATOM 1932 N TYR A 124 13.016 19.411 -6.084 1.00 52.51 N ATOM 1933 CA TYR A 124 14.215 18.599 -5.962 1.00 54.45 C ATOM 1934 C TYR A 124 15.469 19.426 -6.253 1.00 52.30 C ATOM 1935 O TYR A 124 15.790 19.687 -7.411 1.00 50.43 O ATOM 1936 CB TYR A 124 14.088 17.499 -7.018 1.00 54.42 C ATOM 1937 CG TYR A 124 12.960 16.502 -6.745 1.00 22.11 C ATOM 1938 CD1 TYR A 124 12.138 16.673 -5.650 1.00 21.33 C ATOM 1939 CD2 TYR A 124 12.765 15.431 -7.594 1.00 3.12 C ATOM 1940 CE1 TYR A 124 11.077 15.734 -5.393 1.00 30.24 C ATOM 1941 CE2 TYR A 124 11.704 14.492 -7.337 1.00 2.34 C ATOM 1942 CZ TYR A 124 10.912 14.690 -6.249 1.00 25.14 C ATOM 1943 OH TYR A 124 9.910 13.803 -6.006 1.00 3.22 O ATOM 0 H TYR A 124 12.210 18.925 -6.478 1.00 52.51 H new ATOM 0 HA TYR A 124 14.308 18.200 -4.952 1.00 54.45 H new ATOM 0 HB2 TYR A 124 13.923 17.961 -7.991 1.00 54.42 H new ATOM 0 HB3 TYR A 124 15.032 16.957 -7.078 1.00 54.42 H new ATOM 0 HD1 TYR A 124 12.290 17.511 -4.986 1.00 21.33 H new ATOM 0 HD2 TYR A 124 13.408 15.297 -8.451 1.00 3.12 H new ATOM 0 HE1 TYR A 124 10.427 15.856 -4.539 1.00 30.24 H new ATOM 0 HE2 TYR A 124 11.541 13.650 -7.993 1.00 2.34 H new ATOM 0 HH TYR A 124 9.911 13.111 -6.700 1.00 3.22 H new ATOM 1953 N THR A 125 16.144 19.815 -5.181 1.00 53.33 N ATOM 1954 CA THR A 125 17.356 20.607 -5.307 1.00 14.14 C ATOM 1955 C THR A 125 18.589 19.703 -5.272 1.00 3.05 C ATOM 1956 O THR A 125 19.123 19.416 -4.201 1.00 34.20 O ATOM 1957 CB THR A 125 17.346 21.665 -4.201 1.00 74.22 C ATOM 1958 OG1 THR A 125 16.461 22.669 -4.690 1.00 14.23 O ATOM 1959 CG2 THR A 125 18.689 22.385 -4.068 1.00 20.14 C ATOM 0 H THR A 125 15.875 19.597 -4.222 1.00 53.33 H new ATOM 0 HA THR A 125 17.396 21.121 -6.268 1.00 14.14 H new ATOM 0 HB THR A 125 17.090 21.195 -3.251 1.00 74.22 H new ATOM 0 HG1 THR A 125 15.592 22.266 -4.897 1.00 14.23 H new ATOM 0 HG21 THR A 125 18.628 23.125 -3.270 1.00 20.14 H new ATOM 0 HG22 THR A 125 19.468 21.660 -3.832 1.00 20.14 H new ATOM 0 HG23 THR A 125 18.929 22.884 -5.007 1.00 20.14 H new ATOM 1967 N LEU A 126 19.007 19.280 -6.455 1.00 70.44 N ATOM 1968 CA LEU A 126 20.168 18.414 -6.574 1.00 20.03 C ATOM 1969 C LEU A 126 21.409 19.163 -6.086 1.00 4.44 C ATOM 1970 O LEU A 126 21.890 20.078 -6.754 1.00 33.42 O ATOM 1971 CB LEU A 126 20.294 17.879 -8.002 1.00 4.33 C ATOM 1972 CG LEU A 126 21.589 17.131 -8.326 1.00 1.23 C ATOM 1973 CD1 LEU A 126 22.691 18.102 -8.754 1.00 52.34 C ATOM 1974 CD2 LEU A 126 22.024 16.254 -7.150 1.00 62.32 C ATOM 0 H LEU A 126 18.562 19.521 -7.341 1.00 70.44 H new ATOM 0 HA LEU A 126 20.055 17.536 -5.939 1.00 20.03 H new ATOM 0 HB2 LEU A 126 19.454 17.211 -8.194 1.00 4.33 H new ATOM 0 HB3 LEU A 126 20.199 18.717 -8.693 1.00 4.33 H new ATOM 0 HG LEU A 126 21.398 16.468 -9.170 1.00 1.23 H new ATOM 0 HD11 LEU A 126 23.600 17.544 -8.978 1.00 52.34 H new ATOM 0 HD12 LEU A 126 22.371 18.647 -9.642 1.00 52.34 H new ATOM 0 HD13 LEU A 126 22.888 18.808 -7.947 1.00 52.34 H new ATOM 0 HD21 LEU A 126 22.947 15.733 -7.406 1.00 62.32 H new ATOM 0 HD22 LEU A 126 22.191 16.879 -6.273 1.00 62.32 H new ATOM 0 HD23 LEU A 126 21.244 15.524 -6.932 1.00 62.32 H new ATOM 1986 N ARG A 127 21.893 18.748 -4.924 1.00 43.42 N ATOM 1987 CA ARG A 127 23.070 19.369 -4.339 1.00 35.03 C ATOM 1988 C ARG A 127 24.318 18.543 -4.654 1.00 21.42 C ATOM 1989 O ARG A 127 24.254 17.581 -5.418 1.00 52.11 O ATOM 1990 CB ARG A 127 22.924 19.503 -2.822 1.00 22.44 C ATOM 1991 CG ARG A 127 23.209 20.936 -2.368 1.00 35.13 C ATOM 1992 CD ARG A 127 22.086 21.881 -2.801 1.00 31.04 C ATOM 1993 NE ARG A 127 20.925 21.736 -1.895 1.00 33.04 N ATOM 1994 CZ ARG A 127 20.792 22.393 -0.723 1.00 24.24 C ATOM 1995 NH1 ARG A 127 21.750 23.247 -0.304 1.00 44.00 N ATOM 1996 NH2 ARG A 127 19.712 22.187 0.008 1.00 5.20 N ATOM 0 H ARG A 127 21.492 17.990 -4.372 1.00 43.42 H new ATOM 0 HA ARG A 127 23.171 20.364 -4.772 1.00 35.03 H new ATOM 0 HB2 ARG A 127 21.915 19.217 -2.524 1.00 22.44 H new ATOM 0 HB3 ARG A 127 23.610 18.817 -2.325 1.00 22.44 H new ATOM 0 HG2 ARG A 127 23.315 20.964 -1.283 1.00 35.13 H new ATOM 0 HG3 ARG A 127 24.156 21.273 -2.789 1.00 35.13 H new ATOM 0 HD2 ARG A 127 22.441 22.911 -2.788 1.00 31.04 H new ATOM 0 HD3 ARG A 127 21.788 21.659 -3.826 1.00 31.04 H new ATOM 0 HE ARG A 127 20.178 21.100 -2.173 1.00 33.04 H new ATOM 0 HH11 ARG A 127 22.582 23.400 -0.874 1.00 44.00 H new ATOM 0 HH12 ARG A 127 21.642 23.739 0.583 1.00 44.00 H new ATOM 0 HH21 ARG A 127 18.993 21.539 -0.315 1.00 5.20 H new ATOM 0 HH22 ARG A 127 19.596 22.676 0.896 1.00 5.20 H new ATOM 2009 N GLU A 128 25.425 18.948 -4.049 1.00 30.32 N ATOM 2010 CA GLU A 128 26.686 18.257 -4.255 1.00 64.32 C ATOM 2011 C GLU A 128 27.640 18.532 -3.091 1.00 15.45 C ATOM 2012 O GLU A 128 28.186 19.629 -2.977 1.00 34.31 O ATOM 2013 CB GLU A 128 27.320 18.658 -5.589 1.00 12.32 C ATOM 2014 CG GLU A 128 28.811 18.316 -5.613 1.00 32.21 C ATOM 2015 CD GLU A 128 29.396 18.512 -7.013 1.00 73.01 C ATOM 2016 OE1 GLU A 128 29.774 17.531 -7.670 1.00 23.31 O ATOM 2017 OE2 GLU A 128 29.449 19.737 -7.415 1.00 21.40 O ATOM 0 H GLU A 128 25.475 19.746 -3.416 1.00 30.32 H new ATOM 0 HA GLU A 128 26.488 17.186 -4.291 1.00 64.32 H new ATOM 0 HB2 GLU A 128 26.812 18.145 -6.406 1.00 12.32 H new ATOM 0 HB3 GLU A 128 27.186 19.727 -5.752 1.00 12.32 H new ATOM 0 HG2 GLU A 128 29.344 18.946 -4.901 1.00 32.21 H new ATOM 0 HG3 GLU A 128 28.956 17.283 -5.296 1.00 32.21 H new ATOM 2025 N LYS A 129 27.810 17.519 -2.255 1.00 23.33 N ATOM 2026 CA LYS A 129 28.688 17.638 -1.103 1.00 0.21 C ATOM 2027 C LYS A 129 29.896 18.501 -1.475 1.00 32.53 C ATOM 2028 O LYS A 129 30.857 18.008 -2.063 1.00 3.02 O ATOM 2029 CB LYS A 129 29.062 16.254 -0.568 1.00 53.22 C ATOM 2030 CG LYS A 129 27.822 15.503 -0.078 1.00 24.22 C ATOM 2031 CD LYS A 129 28.215 14.223 0.663 1.00 14.14 C ATOM 2032 CE LYS A 129 29.257 14.514 1.745 1.00 62.41 C ATOM 2033 NZ LYS A 129 29.240 13.455 2.779 1.00 65.54 N ATOM 0 H LYS A 129 27.355 16.611 -2.352 1.00 23.33 H new ATOM 0 HA LYS A 129 28.175 18.142 -0.284 1.00 0.21 H new ATOM 0 HB2 LYS A 129 29.555 15.678 -1.351 1.00 53.22 H new ATOM 0 HB3 LYS A 129 29.776 16.357 0.249 1.00 53.22 H new ATOM 0 HG2 LYS A 129 27.240 16.146 0.582 1.00 24.22 H new ATOM 0 HG3 LYS A 129 27.183 15.255 -0.926 1.00 24.22 H new ATOM 0 HD2 LYS A 129 27.331 13.775 1.116 1.00 14.14 H new ATOM 0 HD3 LYS A 129 28.614 13.496 -0.045 1.00 14.14 H new ATOM 0 HE2 LYS A 129 30.248 14.576 1.296 1.00 62.41 H new ATOM 0 HE3 LYS A 129 29.053 15.482 2.204 1.00 62.41 H new ATOM 0 HZ1 LYS A 129 29.953 13.668 3.506 1.00 65.54 H new ATOM 0 HZ2 LYS A 129 28.299 13.415 3.219 1.00 65.54 H new ATOM 0 HZ3 LYS A 129 29.457 12.537 2.340 1.00 65.54 H new ATOM 2046 N PRO A 130 29.805 19.807 -1.107 1.00 35.30 N ATOM 2047 CA PRO A 130 30.878 20.742 -1.396 1.00 1.34 C ATOM 2048 C PRO A 130 32.064 20.524 -0.454 1.00 32.04 C ATOM 2049 O PRO A 130 32.177 19.473 0.175 1.00 75.30 O ATOM 2050 CB PRO A 130 30.250 22.119 -1.251 1.00 31.32 C ATOM 2051 CG PRO A 130 28.982 21.915 -0.438 1.00 32.22 C ATOM 2052 CD PRO A 130 28.681 20.425 -0.409 1.00 41.22 C ATOM 0 HA PRO A 130 31.292 20.611 -2.396 1.00 1.34 H new ATOM 0 HB2 PRO A 130 30.930 22.807 -0.749 1.00 31.32 H new ATOM 0 HB3 PRO A 130 30.024 22.550 -2.226 1.00 31.32 H new ATOM 0 HG2 PRO A 130 29.112 22.298 0.574 1.00 32.22 H new ATOM 0 HG3 PRO A 130 28.151 22.464 -0.882 1.00 32.22 H new ATOM 0 HD2 PRO A 130 28.599 20.057 0.614 1.00 41.22 H new ATOM 0 HD3 PRO A 130 27.736 20.202 -0.904 1.00 41.22 H new ATOM 2060 N GLN A 131 32.918 21.534 -0.385 1.00 40.43 N ATOM 2061 CA GLN A 131 34.091 21.466 0.470 1.00 40.34 C ATOM 2062 C GLN A 131 33.673 21.290 1.931 1.00 63.11 C ATOM 2063 O GLN A 131 32.644 21.814 2.353 1.00 10.15 O ATOM 2064 CB GLN A 131 34.969 22.707 0.296 1.00 13.42 C ATOM 2065 CG GLN A 131 36.202 22.637 1.198 1.00 24.04 C ATOM 2066 CD GLN A 131 37.173 21.557 0.716 1.00 1.05 C ATOM 2067 OE1 GLN A 131 36.912 20.368 0.801 1.00 54.31 O ATOM 2068 NE2 GLN A 131 38.305 22.035 0.208 1.00 41.23 N ATOM 0 H GLN A 131 32.821 22.405 -0.907 1.00 40.43 H new ATOM 0 HA GLN A 131 34.682 20.599 0.175 1.00 40.34 H new ATOM 0 HB2 GLN A 131 35.280 22.794 -0.745 1.00 13.42 H new ATOM 0 HB3 GLN A 131 34.392 23.601 0.532 1.00 13.42 H new ATOM 0 HG2 GLN A 131 36.704 23.604 1.209 1.00 24.04 H new ATOM 0 HG3 GLN A 131 35.896 22.425 2.223 1.00 24.04 H new ATOM 0 HE21 GLN A 131 38.460 23.042 0.166 1.00 41.23 H new ATOM 0 HE22 GLN A 131 39.018 21.394 -0.140 1.00 41.23 H new ATOM 2077 N THR A 132 34.494 20.550 2.662 1.00 14.03 N ATOM 2078 CA THR A 132 34.222 20.298 4.067 1.00 1.04 C ATOM 2079 C THR A 132 34.988 21.290 4.945 1.00 63.02 C ATOM 2080 O THR A 132 36.079 20.986 5.425 1.00 32.45 O ATOM 2081 CB THR A 132 34.566 18.836 4.361 1.00 54.25 C ATOM 2082 OG1 THR A 132 35.985 18.784 4.249 1.00 42.02 O ATOM 2083 CG2 THR A 132 34.071 17.888 3.267 1.00 73.33 C ATOM 0 H THR A 132 35.347 20.117 2.308 1.00 14.03 H new ATOM 0 HA THR A 132 33.168 20.452 4.299 1.00 1.04 H new ATOM 0 HB THR A 132 34.131 18.546 5.318 1.00 54.25 H new ATOM 0 HG1 THR A 132 36.389 19.339 4.948 1.00 42.02 H new ATOM 0 HG21 THR A 132 34.341 16.864 3.524 1.00 73.33 H new ATOM 0 HG22 THR A 132 32.987 17.967 3.180 1.00 73.33 H new ATOM 0 HG23 THR A 132 34.532 18.157 2.317 1.00 73.33 H new TER 2091 THR A 132