USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1088 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 21 THR OG1 : rot 66:sc= 1.75 USER MOD Set 1.2: B 88 CYS SG : rot 55:sc= 1.27 USER MOD Set 1.3: B 133 LYS NZ :NH3+ -156:sc= 1.98 (180deg=1.14) USER MOD Set 2.1: B 93 SER OG : rot 25:sc= 1.18 USER MOD Set 2.2: B 104 TYR OH : rot 30:sc= 0.994 USER MOD Set 3.1: B 84 THR OG1 : rot 180:sc= 0.853 USER MOD Set 3.2: B 111 LYS NZ :NH3+ -179:sc= 1.16 (180deg=0.136) USER MOD Set 4.1: B 77 HIS : no HD1:sc= 0.217 K(o=0.46,f=-1.2) USER MOD Set 4.2: B 137 TYR OH : rot 39:sc= 0.244 USER MOD Set 5.1: A 25 GLN : amide:sc= 0.187 K(o=-0.42,f=-1.6) USER MOD Set 5.2: A 65 MET CE :methyl 179:sc= -0.605 (180deg=-0.486) USER MOD Set 6.1: A 54 THR OG1 : rot -44:sc= 0.923 USER MOD Set 6.2: A 57 THR OG1 : rot -160:sc= 0.81 USER MOD Set 7.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 43 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.5!) USER MOD Set 8.1: A 7 THR OG1 : rot 180:sc= 0.879 USER MOD Set 8.2: A 45 THR OG1 : rot -80:sc= 1.13 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 4 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -160:sc= -0.132 (180deg=-0.661) USER MOD Single : A 14 THR OG1 : rot 45:sc= 1.21 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 17 SER OG : rot -100:sc= 0.292 USER MOD Single : A 24 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.098) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00306 X(o=-0.0031,f=-0.22) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc=-0.00992 (180deg=-0.0949) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.22 K(o=-2.2,f=-4.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 72 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.044) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 159:sc= 1.11 (180deg=0.843) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 97 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.0012) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.13) USER MOD Single : B 110 ASN : amide:sc= -0.994 K(o=-0.99,f=-3.2!) USER MOD Single : B 112 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.11) USER MOD Single : B 114 CYS SG : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 59:sc= 1.55 USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 83:sc= 1.21 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 THR OG1 : rot 82:sc= 1.1 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.816 -5.855 29.670 1.00 0.00 N ATOM 2 CA MET A 1 -8.438 -6.976 28.935 1.00 0.00 C ATOM 3 C MET A 1 -7.385 -8.018 28.565 1.00 0.00 C ATOM 4 O MET A 1 -7.444 -9.139 29.072 1.00 0.00 O ATOM 5 CB MET A 1 -9.256 -6.468 27.731 1.00 0.00 C ATOM 6 CG MET A 1 -10.179 -7.532 27.120 1.00 0.00 C ATOM 7 SD MET A 1 -9.365 -8.829 26.141 1.00 0.00 S ATOM 8 CE MET A 1 -10.813 -9.837 25.717 1.00 0.00 C ATOM 0 H1 MET A 1 -8.544 -5.154 29.915 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.374 -6.213 30.540 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.092 -5.407 29.073 1.00 0.00 H new ATOM 0 HA MET A 1 -9.155 -7.477 29.585 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.857 -5.615 28.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.571 -6.109 26.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.734 -8.009 27.927 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.909 -7.030 26.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.500 -10.687 25.111 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.286 -10.197 26.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.525 -9.233 25.154 1.00 0.00 H new ATOM 20 N GLY A 2 -6.414 -7.669 27.712 1.00 0.00 N ATOM 21 CA GLY A 2 -5.278 -8.531 27.351 1.00 0.00 C ATOM 22 C GLY A 2 -4.977 -8.540 25.856 1.00 0.00 C ATOM 23 O GLY A 2 -5.372 -7.627 25.131 1.00 0.00 O ATOM 0 H GLY A 2 -6.394 -6.763 27.244 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.392 -8.197 27.891 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.486 -9.550 27.679 1.00 0.00 H new ATOM 27 N VAL A 3 -4.237 -9.549 25.402 1.00 0.00 N ATOM 28 CA VAL A 3 -3.945 -9.763 23.974 1.00 0.00 C ATOM 29 C VAL A 3 -5.097 -10.486 23.270 1.00 0.00 C ATOM 30 O VAL A 3 -5.541 -11.548 23.709 1.00 0.00 O ATOM 31 CB VAL A 3 -2.607 -10.496 23.710 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.428 -9.672 24.249 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.529 -11.953 24.195 1.00 0.00 C ATOM 0 H VAL A 3 -3.817 -10.249 26.013 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.837 -8.764 23.551 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.547 -10.577 22.625 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.495 -10.202 24.055 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.405 -8.702 23.752 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.546 -9.527 25.323 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.548 -12.364 23.957 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.684 -11.986 25.273 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.300 -12.543 23.699 1.00 0.00 H new ATOM 43 N ASN A 4 -5.551 -9.914 22.152 1.00 0.00 N ATOM 44 CA ASN A 4 -6.378 -10.598 21.154 1.00 0.00 C ATOM 45 C ASN A 4 -5.490 -11.023 19.967 1.00 0.00 C ATOM 46 O ASN A 4 -4.508 -10.353 19.651 1.00 0.00 O ATOM 47 CB ASN A 4 -7.520 -9.680 20.681 1.00 0.00 C ATOM 48 CG ASN A 4 -8.675 -9.544 21.671 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.834 -9.766 21.333 1.00 0.00 O ATOM 50 ND2 ASN A 4 -8.403 -9.178 22.910 1.00 0.00 N ATOM 0 H ASN A 4 -5.350 -8.944 21.910 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.827 -11.485 21.600 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.113 -8.689 20.479 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.910 -10.063 19.738 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.157 -9.079 23.590 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.439 -8.994 23.188 1.00 0.00 H new ATOM 57 N SER A 5 -5.821 -12.121 19.287 1.00 0.00 N ATOM 58 CA SER A 5 -5.054 -12.639 18.141 1.00 0.00 C ATOM 59 C SER A 5 -5.977 -12.997 16.967 1.00 0.00 C ATOM 60 O SER A 5 -7.100 -13.470 17.168 1.00 0.00 O ATOM 61 CB SER A 5 -4.217 -13.858 18.562 1.00 0.00 C ATOM 62 OG SER A 5 -3.289 -14.197 17.545 1.00 0.00 O ATOM 0 H SER A 5 -6.639 -12.687 19.515 1.00 0.00 H new ATOM 0 HA SER A 5 -4.380 -11.851 17.805 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.686 -13.640 19.489 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.873 -14.706 18.762 1.00 0.00 H new ATOM 0 HG SER A 5 -2.762 -14.973 17.828 1.00 0.00 H new ATOM 68 N VAL A 6 -5.527 -12.778 15.729 1.00 0.00 N ATOM 69 CA VAL A 6 -6.314 -13.108 14.523 1.00 0.00 C ATOM 70 C VAL A 6 -5.426 -13.344 13.301 1.00 0.00 C ATOM 71 O VAL A 6 -4.394 -12.688 13.150 1.00 0.00 O ATOM 72 CB VAL A 6 -7.408 -12.041 14.238 1.00 0.00 C ATOM 73 CG1 VAL A 6 -6.856 -10.720 13.678 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.497 -12.572 13.291 1.00 0.00 C ATOM 0 H VAL A 6 -4.614 -12.370 15.528 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.824 -14.049 14.730 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.843 -11.830 15.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.679 -10.026 13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.159 -10.285 14.394 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.339 -10.911 12.738 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.241 -11.794 13.119 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.045 -12.858 12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.978 -13.441 13.740 1.00 0.00 H new ATOM 84 N THR A 7 -5.859 -14.257 12.422 1.00 0.00 N ATOM 85 CA THR A 7 -5.300 -14.443 11.076 1.00 0.00 C ATOM 86 C THR A 7 -6.307 -14.048 9.994 1.00 0.00 C ATOM 87 O THR A 7 -7.478 -14.431 10.010 1.00 0.00 O ATOM 88 CB THR A 7 -4.770 -15.868 10.890 1.00 0.00 C ATOM 89 OG1 THR A 7 -3.721 -16.059 11.806 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.144 -16.084 9.514 1.00 0.00 C ATOM 0 H THR A 7 -6.623 -14.900 12.630 1.00 0.00 H new ATOM 0 HA THR A 7 -4.448 -13.772 10.968 1.00 0.00 H new ATOM 0 HB THR A 7 -5.612 -16.547 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.363 -16.966 11.709 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.785 -17.110 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.891 -15.901 8.742 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.309 -15.396 9.382 1.00 0.00 H new ATOM 98 N ILE A 8 -5.825 -13.282 9.021 1.00 0.00 N ATOM 99 CA ILE A 8 -6.530 -12.840 7.811 1.00 0.00 C ATOM 100 C ILE A 8 -5.791 -13.422 6.600 1.00 0.00 C ATOM 101 O ILE A 8 -4.572 -13.314 6.492 1.00 0.00 O ATOM 102 CB ILE A 8 -6.597 -11.287 7.784 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.330 -10.762 9.048 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.269 -10.760 6.501 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.681 -9.267 9.045 1.00 0.00 C ATOM 0 H ILE A 8 -4.869 -12.927 9.054 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.560 -13.197 7.792 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.574 -10.910 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.251 -11.332 9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.707 -10.968 9.918 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.294 -9.671 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.702 -11.091 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.287 -11.145 6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.189 -9.011 9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.767 -8.679 8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.336 -9.049 8.201 1.00 0.00 H new ATOM 117 N SER A 9 -6.508 -14.034 5.665 1.00 0.00 N ATOM 118 CA SER A 9 -5.962 -14.352 4.345 1.00 0.00 C ATOM 119 C SER A 9 -5.977 -13.054 3.519 1.00 0.00 C ATOM 120 O SER A 9 -7.054 -12.576 3.153 1.00 0.00 O ATOM 121 CB SER A 9 -6.785 -15.466 3.672 1.00 0.00 C ATOM 122 OG SER A 9 -6.971 -16.586 4.531 1.00 0.00 O ATOM 0 H SER A 9 -7.477 -14.323 5.796 1.00 0.00 H new ATOM 0 HA SER A 9 -4.942 -14.727 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.757 -15.070 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.282 -15.788 2.760 1.00 0.00 H new ATOM 0 HG SER A 9 -7.499 -17.269 4.068 1.00 0.00 H new ATOM 128 N VAL A 10 -4.814 -12.448 3.259 1.00 0.00 N ATOM 129 CA VAL A 10 -4.672 -11.217 2.465 1.00 0.00 C ATOM 130 C VAL A 10 -4.405 -11.641 1.020 1.00 0.00 C ATOM 131 O VAL A 10 -3.281 -11.637 0.526 1.00 0.00 O ATOM 132 CB VAL A 10 -3.625 -10.225 3.021 1.00 0.00 C ATOM 133 CG1 VAL A 10 -3.537 -8.938 2.174 1.00 0.00 C ATOM 134 CG2 VAL A 10 -4.034 -9.792 4.439 1.00 0.00 C ATOM 0 H VAL A 10 -3.922 -12.806 3.602 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.595 -10.640 2.521 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.664 -10.739 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.789 -8.271 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.254 -9.193 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.506 -8.440 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.297 -9.092 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.010 -9.309 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.085 -10.668 5.086 1.00 0.00 H new ATOM 144 N GLU A 11 -5.492 -12.070 0.387 1.00 0.00 N ATOM 145 CA GLU A 11 -5.587 -12.615 -0.973 1.00 0.00 C ATOM 146 C GLU A 11 -4.909 -11.771 -2.072 1.00 0.00 C ATOM 147 O GLU A 11 -4.577 -12.314 -3.126 1.00 0.00 O ATOM 148 CB GLU A 11 -7.079 -12.752 -1.334 1.00 0.00 C ATOM 149 CG GLU A 11 -7.876 -13.720 -0.450 1.00 0.00 C ATOM 150 CD GLU A 11 -7.630 -15.173 -0.836 1.00 0.00 C ATOM 151 OE1 GLU A 11 -6.516 -15.701 -0.617 1.00 0.00 O ATOM 152 OE2 GLU A 11 -8.560 -15.817 -1.372 1.00 0.00 O ATOM 0 H GLU A 11 -6.404 -12.046 0.843 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.055 -13.566 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.543 -11.767 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.157 -13.082 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.600 -13.570 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.940 -13.497 -0.534 1.00 0.00 H new ATOM 159 N GLY A 12 -4.706 -10.463 -1.872 1.00 0.00 N ATOM 160 CA GLY A 12 -4.033 -9.574 -2.834 1.00 0.00 C ATOM 161 C GLY A 12 -2.512 -9.461 -2.660 1.00 0.00 C ATOM 162 O GLY A 12 -1.866 -8.802 -3.473 1.00 0.00 O ATOM 0 H GLY A 12 -5.009 -9.983 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.243 -9.930 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.468 -8.578 -2.751 1.00 0.00 H new ATOM 166 N MET A 13 -1.931 -10.067 -1.619 1.00 0.00 N ATOM 167 CA MET A 13 -0.519 -9.920 -1.232 1.00 0.00 C ATOM 168 C MET A 13 0.237 -11.253 -1.339 1.00 0.00 C ATOM 169 O MET A 13 -0.234 -12.276 -0.842 1.00 0.00 O ATOM 170 CB MET A 13 -0.473 -9.328 0.185 1.00 0.00 C ATOM 171 CG MET A 13 0.940 -8.989 0.682 1.00 0.00 C ATOM 172 SD MET A 13 1.994 -10.366 1.213 1.00 0.00 S ATOM 173 CE MET A 13 0.973 -11.041 2.545 1.00 0.00 C ATOM 0 H MET A 13 -2.445 -10.694 -1.001 1.00 0.00 H new ATOM 0 HA MET A 13 -0.010 -9.243 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.081 -8.423 0.208 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.929 -10.036 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.458 -8.457 -0.116 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.845 -8.296 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.592 -11.647 3.207 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.528 -10.224 3.112 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.183 -11.660 2.120 1.00 0.00 H new ATOM 183 N THR A 14 1.422 -11.224 -1.969 1.00 0.00 N ATOM 184 CA THR A 14 2.311 -12.383 -2.191 1.00 0.00 C ATOM 185 C THR A 14 3.767 -11.998 -2.513 1.00 0.00 C ATOM 186 O THR A 14 4.516 -12.836 -3.015 1.00 0.00 O ATOM 187 CB THR A 14 1.656 -13.399 -3.142 1.00 0.00 C ATOM 188 OG1 THR A 14 2.255 -14.673 -3.051 1.00 0.00 O ATOM 189 CG2 THR A 14 1.717 -12.926 -4.581 1.00 0.00 C ATOM 0 H THR A 14 1.805 -10.361 -2.354 1.00 0.00 H new ATOM 0 HA THR A 14 2.426 -12.907 -1.242 1.00 0.00 H new ATOM 0 HB THR A 14 0.615 -13.480 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.389 -14.905 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.246 -13.666 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.191 -11.976 -4.674 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.758 -12.796 -4.877 1.00 0.00 H new ATOM 197 N CYS A 15 4.200 -10.764 -2.204 1.00 0.00 N ATOM 198 CA CYS A 15 5.553 -10.281 -2.500 1.00 0.00 C ATOM 199 C CYS A 15 6.155 -9.204 -1.538 1.00 0.00 C ATOM 200 O CYS A 15 5.606 -8.845 -0.489 1.00 0.00 O ATOM 201 CB CYS A 15 5.595 -9.924 -4.002 1.00 0.00 C ATOM 202 SG CYS A 15 4.851 -8.304 -4.323 1.00 0.00 S ATOM 0 H CYS A 15 3.614 -10.071 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 15 6.252 -11.089 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.629 -9.925 -4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.067 -10.687 -4.573 1.00 0.00 H new ATOM 207 N ASN A 16 7.359 -8.753 -1.909 1.00 0.00 N ATOM 208 CA ASN A 16 8.419 -8.241 -1.030 1.00 0.00 C ATOM 209 C ASN A 16 8.211 -6.817 -0.473 1.00 0.00 C ATOM 210 O ASN A 16 8.408 -6.594 0.724 1.00 0.00 O ATOM 211 CB ASN A 16 9.719 -8.319 -1.841 1.00 0.00 C ATOM 212 CG ASN A 16 10.954 -7.831 -1.090 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.129 -8.065 0.100 1.00 0.00 O ATOM 214 ND2 ASN A 16 11.825 -7.119 -1.776 1.00 0.00 N ATOM 0 H ASN A 16 7.637 -8.734 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 16 8.430 -8.856 -0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.880 -9.352 -2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.603 -7.729 -2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.659 -6.754 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.665 -6.933 -2.766 1.00 0.00 H new ATOM 221 N SER A 17 7.814 -5.835 -1.288 1.00 0.00 N ATOM 222 CA SER A 17 7.516 -4.491 -0.758 1.00 0.00 C ATOM 223 C SER A 17 6.092 -4.401 -0.174 1.00 0.00 C ATOM 224 O SER A 17 5.790 -3.499 0.613 1.00 0.00 O ATOM 225 CB SER A 17 7.730 -3.397 -1.807 1.00 0.00 C ATOM 226 OG SER A 17 9.007 -3.464 -2.432 1.00 0.00 O ATOM 0 H SER A 17 7.692 -5.935 -2.296 1.00 0.00 H new ATOM 0 HA SER A 17 8.225 -4.323 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.955 -3.476 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.614 -2.422 -1.335 1.00 0.00 H new ATOM 0 HG SER A 17 9.605 -2.803 -2.025 1.00 0.00 H new ATOM 232 N CYS A 18 5.225 -5.358 -0.512 1.00 0.00 N ATOM 233 CA CYS A 18 3.882 -5.493 0.006 1.00 0.00 C ATOM 234 C CYS A 18 3.924 -5.930 1.494 1.00 0.00 C ATOM 235 O CYS A 18 3.324 -5.263 2.339 1.00 0.00 O ATOM 236 CB CYS A 18 3.144 -6.460 -0.943 1.00 0.00 C ATOM 237 SG CYS A 18 3.386 -6.004 -2.688 1.00 0.00 S ATOM 0 H CYS A 18 5.461 -6.087 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 18 3.331 -4.553 0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.503 -7.476 -0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.079 -6.457 -0.710 1.00 0.00 H new ATOM 242 N VAL A 19 4.704 -6.967 1.835 1.00 0.00 N ATOM 243 CA VAL A 19 4.936 -7.347 3.252 1.00 0.00 C ATOM 244 C VAL A 19 5.562 -6.210 4.077 1.00 0.00 C ATOM 245 O VAL A 19 5.176 -5.997 5.228 1.00 0.00 O ATOM 246 CB VAL A 19 5.774 -8.636 3.448 1.00 0.00 C ATOM 247 CG1 VAL A 19 4.982 -9.868 3.000 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.145 -8.636 2.759 1.00 0.00 C ATOM 0 H VAL A 19 5.186 -7.559 1.159 1.00 0.00 H new ATOM 0 HA VAL A 19 3.932 -7.554 3.621 1.00 0.00 H new ATOM 0 HB VAL A 19 5.977 -8.670 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.588 -10.763 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.069 -9.948 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.725 -9.772 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.652 -9.581 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.012 -8.514 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.747 -7.814 3.146 1.00 0.00 H new ATOM 258 N TRP A 20 6.468 -5.429 3.473 1.00 0.00 N ATOM 259 CA TRP A 20 7.045 -4.229 4.086 1.00 0.00 C ATOM 260 C TRP A 20 5.965 -3.174 4.388 1.00 0.00 C ATOM 261 O TRP A 20 5.909 -2.651 5.503 1.00 0.00 O ATOM 262 CB TRP A 20 8.129 -3.687 3.146 1.00 0.00 C ATOM 263 CG TRP A 20 8.871 -2.487 3.637 1.00 0.00 C ATOM 264 CD1 TRP A 20 10.026 -2.532 4.329 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.577 -1.067 3.448 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.457 -1.252 4.608 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.624 -0.308 4.054 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.551 -0.341 2.805 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.665 1.093 4.006 1.00 0.00 C ATOM 270 CZ3 TRP A 20 7.585 1.064 2.741 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.641 1.781 3.336 1.00 0.00 C ATOM 0 H TRP A 20 6.823 -5.616 2.535 1.00 0.00 H new ATOM 0 HA TRP A 20 7.492 -4.482 5.047 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.849 -4.483 2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.665 -3.439 2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.538 -3.436 4.622 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.289 -1.033 5.156 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.726 -0.873 2.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.472 1.634 4.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 6.795 1.597 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.663 2.859 3.277 1.00 0.00 H new ATOM 282 N THR A 21 5.061 -2.933 3.424 1.00 0.00 N ATOM 283 CA THR A 21 3.933 -1.990 3.544 1.00 0.00 C ATOM 284 C THR A 21 3.072 -2.317 4.759 1.00 0.00 C ATOM 285 O THR A 21 2.813 -1.424 5.559 1.00 0.00 O ATOM 286 CB THR A 21 3.076 -1.963 2.270 1.00 0.00 C ATOM 287 OG1 THR A 21 3.884 -1.693 1.147 1.00 0.00 O ATOM 288 CG2 THR A 21 2.008 -0.871 2.329 1.00 0.00 C ATOM 0 H THR A 21 5.094 -3.399 2.517 1.00 0.00 H new ATOM 0 HA THR A 21 4.359 -0.996 3.680 1.00 0.00 H new ATOM 0 HB THR A 21 2.600 -2.940 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.503 -2.439 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.423 -0.884 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.351 -1.050 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.488 0.101 2.440 1.00 0.00 H new ATOM 296 N ILE A 22 2.683 -3.584 4.951 1.00 0.00 N ATOM 297 CA ILE A 22 1.839 -3.976 6.100 1.00 0.00 C ATOM 298 C ILE A 22 2.524 -3.651 7.433 1.00 0.00 C ATOM 299 O ILE A 22 1.883 -3.089 8.314 1.00 0.00 O ATOM 300 CB ILE A 22 1.428 -5.471 6.046 1.00 0.00 C ATOM 301 CG1 ILE A 22 0.752 -5.887 4.715 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.509 -5.812 7.242 1.00 0.00 C ATOM 303 CD1 ILE A 22 -0.560 -5.170 4.371 1.00 0.00 C ATOM 0 H ILE A 22 2.935 -4.355 4.333 1.00 0.00 H new ATOM 0 HA ILE A 22 0.926 -3.385 6.030 1.00 0.00 H new ATOM 0 HB ILE A 22 2.353 -6.044 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.459 -5.716 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.558 -6.959 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.226 -6.864 7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.039 -5.620 8.175 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.387 -5.193 7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.940 -5.542 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.294 -5.360 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.380 -4.098 4.295 1.00 0.00 H new ATOM 315 N GLU A 23 3.815 -3.958 7.592 1.00 0.00 N ATOM 316 CA GLU A 23 4.534 -3.688 8.845 1.00 0.00 C ATOM 317 C GLU A 23 4.729 -2.180 9.092 1.00 0.00 C ATOM 318 O GLU A 23 4.657 -1.723 10.235 1.00 0.00 O ATOM 319 CB GLU A 23 5.869 -4.447 8.846 1.00 0.00 C ATOM 320 CG GLU A 23 6.432 -4.577 10.272 1.00 0.00 C ATOM 321 CD GLU A 23 7.626 -5.525 10.401 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.122 -6.075 9.393 1.00 0.00 O ATOM 323 OE2 GLU A 23 8.116 -5.708 11.539 1.00 0.00 O ATOM 0 H GLU A 23 4.386 -4.395 6.868 1.00 0.00 H new ATOM 0 HA GLU A 23 3.926 -4.049 9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.727 -5.439 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.588 -3.925 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.730 -3.589 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.637 -4.923 10.932 1.00 0.00 H new ATOM 330 N GLN A 24 4.905 -1.390 8.027 1.00 0.00 N ATOM 331 CA GLN A 24 4.942 0.073 8.113 1.00 0.00 C ATOM 332 C GLN A 24 3.590 0.666 8.544 1.00 0.00 C ATOM 333 O GLN A 24 3.585 1.518 9.437 1.00 0.00 O ATOM 334 CB GLN A 24 5.417 0.688 6.787 1.00 0.00 C ATOM 335 CG GLN A 24 6.919 0.488 6.520 1.00 0.00 C ATOM 336 CD GLN A 24 7.821 1.193 7.537 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.763 2.407 7.734 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.652 0.467 8.251 1.00 0.00 N ATOM 0 H GLN A 24 5.026 -1.748 7.080 1.00 0.00 H new ATOM 0 HA GLN A 24 5.663 0.330 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.849 0.248 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.196 1.755 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.142 -0.579 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.154 0.856 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.710 -0.540 8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.239 0.910 8.958 1.00 0.00 H new ATOM 347 N GLN A 25 2.465 0.214 7.969 1.00 0.00 N ATOM 348 CA GLN A 25 1.118 0.667 8.355 1.00 0.00 C ATOM 349 C GLN A 25 0.743 0.193 9.765 1.00 0.00 C ATOM 350 O GLN A 25 0.402 0.998 10.633 1.00 0.00 O ATOM 351 CB GLN A 25 0.038 0.110 7.406 1.00 0.00 C ATOM 352 CG GLN A 25 0.054 0.574 5.945 1.00 0.00 C ATOM 353 CD GLN A 25 -1.074 -0.132 5.199 1.00 0.00 C ATOM 354 OE1 GLN A 25 -1.237 -1.341 5.283 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.928 0.585 4.503 1.00 0.00 N ATOM 0 H GLN A 25 2.463 -0.479 7.220 1.00 0.00 H new ATOM 0 HA GLN A 25 1.152 1.756 8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.117 -0.977 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.936 0.361 7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.074 1.655 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.015 0.343 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.803 1.594 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.716 0.132 4.040 1.00 0.00 H new ATOM 364 N ILE A 26 0.744 -1.128 9.977 1.00 0.00 N ATOM 365 CA ILE A 26 0.177 -1.773 11.167 1.00 0.00 C ATOM 366 C ILE A 26 1.018 -1.453 12.393 1.00 0.00 C ATOM 367 O ILE A 26 0.446 -1.076 13.414 1.00 0.00 O ATOM 368 CB ILE A 26 0.034 -3.295 10.935 1.00 0.00 C ATOM 369 CG1 ILE A 26 -0.974 -3.642 9.812 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.341 -4.031 12.230 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.432 -3.233 10.056 1.00 0.00 C ATOM 0 H ILE A 26 1.146 -1.791 9.314 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.822 -1.378 11.350 1.00 0.00 H new ATOM 0 HB ILE A 26 1.015 -3.639 10.608 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.636 -3.168 8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.944 -4.719 9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.433 -5.098 12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.435 -3.869 12.978 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.291 -3.649 12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.041 -3.529 9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.803 -3.727 10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.490 -2.152 10.186 1.00 0.00 H new ATOM 383 N GLY A 27 2.350 -1.484 12.273 1.00 0.00 N ATOM 384 CA GLY A 27 3.284 -1.103 13.339 1.00 0.00 C ATOM 385 C GLY A 27 3.157 0.354 13.795 1.00 0.00 C ATOM 386 O GLY A 27 3.813 0.733 14.761 1.00 0.00 O ATOM 0 H GLY A 27 2.818 -1.780 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.124 -1.756 14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.303 -1.276 12.993 1.00 0.00 H new ATOM 390 N LYS A 28 2.327 1.172 13.134 1.00 0.00 N ATOM 391 CA LYS A 28 1.945 2.520 13.577 1.00 0.00 C ATOM 392 C LYS A 28 0.444 2.654 13.925 1.00 0.00 C ATOM 393 O LYS A 28 0.018 3.724 14.361 1.00 0.00 O ATOM 394 CB LYS A 28 2.432 3.514 12.503 1.00 0.00 C ATOM 395 CG LYS A 28 2.610 4.974 12.967 1.00 0.00 C ATOM 396 CD LYS A 28 3.477 5.186 14.224 1.00 0.00 C ATOM 397 CE LYS A 28 4.782 4.376 14.203 1.00 0.00 C ATOM 398 NZ LYS A 28 5.685 4.755 15.314 1.00 0.00 N ATOM 0 H LYS A 28 1.890 0.907 12.251 1.00 0.00 H new ATOM 0 HA LYS A 28 2.430 2.749 14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.386 3.159 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.723 3.500 11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.049 5.543 12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.623 5.397 13.156 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.716 6.245 14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.900 4.910 15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.551 3.313 14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.291 4.532 13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.554 4.186 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.927 5.764 15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.209 4.582 16.222 1.00 0.00 H new ATOM 412 N VAL A 29 -0.348 1.579 13.828 1.00 0.00 N ATOM 413 CA VAL A 29 -1.657 1.489 14.496 1.00 0.00 C ATOM 414 C VAL A 29 -1.392 0.979 15.914 1.00 0.00 C ATOM 415 O VAL A 29 -1.052 -0.181 16.135 1.00 0.00 O ATOM 416 CB VAL A 29 -2.679 0.594 13.763 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.064 0.734 14.421 1.00 0.00 C ATOM 418 CG2 VAL A 29 -2.820 0.948 12.274 1.00 0.00 C ATOM 0 H VAL A 29 -0.103 0.749 13.287 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.120 2.476 14.498 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.306 -0.427 13.838 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.781 0.100 13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.003 0.429 15.466 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.390 1.773 14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.552 0.286 11.810 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.152 1.982 12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.857 0.828 11.779 1.00 0.00 H new ATOM 428 N ASN A 30 -1.483 1.901 16.866 1.00 0.00 N ATOM 429 CA ASN A 30 -0.824 1.832 18.177 1.00 0.00 C ATOM 430 C ASN A 30 -1.218 0.650 19.091 1.00 0.00 C ATOM 431 O ASN A 30 -0.485 0.331 20.028 1.00 0.00 O ATOM 432 CB ASN A 30 -1.102 3.177 18.853 1.00 0.00 C ATOM 433 CG ASN A 30 -0.330 3.389 20.148 1.00 0.00 C ATOM 434 OD1 ASN A 30 -0.923 3.546 21.208 1.00 0.00 O ATOM 435 ND2 ASN A 30 0.987 3.398 20.115 1.00 0.00 N ATOM 0 H ASN A 30 -2.036 2.750 16.748 1.00 0.00 H new ATOM 0 HA ASN A 30 0.236 1.640 18.009 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.854 3.980 18.158 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.169 3.254 19.061 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.518 3.536 20.975 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.476 3.267 19.229 1.00 0.00 H new ATOM 442 N GLY A 31 -2.347 -0.016 18.818 1.00 0.00 N ATOM 443 CA GLY A 31 -2.831 -1.166 19.598 1.00 0.00 C ATOM 444 C GLY A 31 -2.006 -2.442 19.399 1.00 0.00 C ATOM 445 O GLY A 31 -1.903 -3.241 20.331 1.00 0.00 O ATOM 0 H GLY A 31 -2.959 0.230 18.040 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.826 -0.903 20.656 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.867 -1.368 19.325 1.00 0.00 H new ATOM 449 N VAL A 32 -1.413 -2.640 18.218 1.00 0.00 N ATOM 450 CA VAL A 32 -0.652 -3.849 17.850 1.00 0.00 C ATOM 451 C VAL A 32 0.413 -4.226 18.890 1.00 0.00 C ATOM 452 O VAL A 32 1.197 -3.388 19.331 1.00 0.00 O ATOM 453 CB VAL A 32 -0.033 -3.744 16.434 1.00 0.00 C ATOM 454 CG1 VAL A 32 1.137 -2.752 16.325 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.457 -5.121 15.955 1.00 0.00 C ATOM 0 H VAL A 32 -1.447 -1.949 17.468 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.381 -4.659 17.834 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.839 -3.367 15.804 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.511 -2.741 15.301 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.794 -1.754 16.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.937 -3.057 17.000 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.889 -5.027 14.959 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.213 -5.498 16.644 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.383 -5.815 15.923 1.00 0.00 H new ATOM 465 N HIS A 33 0.439 -5.505 19.262 1.00 0.00 N ATOM 466 CA HIS A 33 1.461 -6.108 20.115 1.00 0.00 C ATOM 467 C HIS A 33 2.516 -6.878 19.290 1.00 0.00 C ATOM 468 O HIS A 33 3.690 -6.852 19.662 1.00 0.00 O ATOM 469 CB HIS A 33 0.766 -7.021 21.135 1.00 0.00 C ATOM 470 CG HIS A 33 1.693 -7.584 22.186 1.00 0.00 C ATOM 471 ND1 HIS A 33 2.075 -6.959 23.350 1.00 0.00 N ATOM 472 CD2 HIS A 33 2.305 -8.810 22.170 1.00 0.00 C ATOM 473 CE1 HIS A 33 2.891 -7.787 24.021 1.00 0.00 C ATOM 474 NE2 HIS A 33 3.068 -8.938 23.341 1.00 0.00 N ATOM 0 H HIS A 33 -0.275 -6.172 18.968 1.00 0.00 H new ATOM 0 HA HIS A 33 2.003 -5.321 20.639 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.028 -6.460 21.628 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.291 -7.846 20.604 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.215 -9.551 21.390 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.344 -7.562 24.975 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.638 -9.736 23.620 1.00 0.00 H new ATOM 482 N HIS A 34 2.130 -7.526 18.179 1.00 0.00 N ATOM 483 CA HIS A 34 3.034 -8.060 17.144 1.00 0.00 C ATOM 484 C HIS A 34 2.307 -8.249 15.789 1.00 0.00 C ATOM 485 O HIS A 34 1.155 -8.690 15.774 1.00 0.00 O ATOM 486 CB HIS A 34 3.638 -9.398 17.607 1.00 0.00 C ATOM 487 CG HIS A 34 4.704 -9.911 16.669 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.516 -10.764 15.607 1.00 0.00 N ATOM 489 CD2 HIS A 34 6.029 -9.564 16.669 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.693 -10.928 14.985 1.00 0.00 C ATOM 491 NE2 HIS A 34 6.651 -10.203 15.589 1.00 0.00 N ATOM 0 H HIS A 34 1.147 -7.699 17.968 1.00 0.00 H new ATOM 0 HA HIS A 34 3.832 -7.333 16.996 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.064 -9.274 18.602 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.845 -10.141 17.690 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.511 -8.910 17.380 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.849 -11.555 14.120 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.631 -10.133 15.316 1.00 0.00 H new ATOM 499 N ILE A 35 2.972 -7.994 14.650 1.00 0.00 N ATOM 500 CA ILE A 35 2.482 -8.306 13.286 1.00 0.00 C ATOM 501 C ILE A 35 3.415 -9.285 12.549 1.00 0.00 C ATOM 502 O ILE A 35 4.640 -9.125 12.552 1.00 0.00 O ATOM 503 CB ILE A 35 2.225 -6.998 12.475 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.774 -7.239 11.011 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.382 -5.982 12.555 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.874 -7.348 9.940 1.00 0.00 C ATOM 0 H ILE A 35 3.892 -7.553 14.647 1.00 0.00 H new ATOM 0 HA ILE A 35 1.525 -8.818 13.383 1.00 0.00 H new ATOM 0 HB ILE A 35 1.375 -6.542 12.982 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.187 -8.157 10.986 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.106 -6.426 10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.132 -5.099 11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.542 -5.693 13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.292 -6.435 12.160 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.417 -7.516 8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.451 -6.424 9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.534 -8.182 10.180 1.00 0.00 H new ATOM 518 N LYS A 36 2.835 -10.265 11.852 1.00 0.00 N ATOM 519 CA LYS A 36 3.508 -11.113 10.857 1.00 0.00 C ATOM 520 C LYS A 36 2.707 -11.178 9.546 1.00 0.00 C ATOM 521 O LYS A 36 1.478 -11.239 9.570 1.00 0.00 O ATOM 522 CB LYS A 36 3.737 -12.525 11.431 1.00 0.00 C ATOM 523 CG LYS A 36 4.513 -13.429 10.452 1.00 0.00 C ATOM 524 CD LYS A 36 4.854 -14.784 11.082 1.00 0.00 C ATOM 525 CE LYS A 36 5.751 -15.663 10.198 1.00 0.00 C ATOM 526 NZ LYS A 36 7.067 -15.046 9.902 1.00 0.00 N ATOM 0 H LYS A 36 1.849 -10.501 11.967 1.00 0.00 H new ATOM 0 HA LYS A 36 4.476 -10.668 10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.288 -12.450 12.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.775 -12.983 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.919 -13.585 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.431 -12.929 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.351 -14.617 12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.929 -15.320 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.910 -16.621 10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.235 -15.870 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.674 -15.739 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.932 -14.217 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.519 -14.749 10.790 1.00 0.00 H new ATOM 540 N VAL A 37 3.402 -11.225 8.410 1.00 0.00 N ATOM 541 CA VAL A 37 2.818 -11.468 7.083 1.00 0.00 C ATOM 542 C VAL A 37 3.646 -12.506 6.325 1.00 0.00 C ATOM 543 O VAL A 37 4.871 -12.426 6.268 1.00 0.00 O ATOM 544 CB VAL A 37 2.656 -10.168 6.261 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.347 -9.472 6.644 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.825 -9.184 6.430 1.00 0.00 C ATOM 0 H VAL A 37 4.413 -11.092 8.382 1.00 0.00 H new ATOM 0 HA VAL A 37 1.813 -11.862 7.233 1.00 0.00 H new ATOM 0 HB VAL A 37 2.644 -10.467 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.238 -8.557 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.508 -10.136 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.362 -9.227 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.643 -8.296 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.911 -8.898 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.751 -9.660 6.107 1.00 0.00 H new ATOM 556 N SER A 38 2.955 -13.506 5.781 1.00 0.00 N ATOM 557 CA SER A 38 3.543 -14.697 5.157 1.00 0.00 C ATOM 558 C SER A 38 3.208 -14.742 3.660 1.00 0.00 C ATOM 559 O SER A 38 2.192 -15.314 3.254 1.00 0.00 O ATOM 560 CB SER A 38 3.019 -15.959 5.852 1.00 0.00 C ATOM 561 OG SER A 38 3.420 -16.028 7.210 1.00 0.00 O ATOM 0 H SER A 38 1.935 -13.513 5.760 1.00 0.00 H new ATOM 0 HA SER A 38 4.627 -14.651 5.266 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.931 -15.978 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.381 -16.840 5.323 1.00 0.00 H new ATOM 0 HG SER A 38 3.064 -16.846 7.615 1.00 0.00 H new ATOM 567 N LEU A 39 4.053 -14.128 2.824 1.00 0.00 N ATOM 568 CA LEU A 39 3.798 -13.900 1.393 1.00 0.00 C ATOM 569 C LEU A 39 3.583 -15.179 0.566 1.00 0.00 C ATOM 570 O LEU A 39 2.848 -15.158 -0.420 1.00 0.00 O ATOM 571 CB LEU A 39 4.943 -13.033 0.837 1.00 0.00 C ATOM 572 CG LEU A 39 6.334 -13.708 0.776 1.00 0.00 C ATOM 573 CD1 LEU A 39 6.648 -14.247 -0.627 1.00 0.00 C ATOM 574 CD2 LEU A 39 7.425 -12.705 1.181 1.00 0.00 C ATOM 0 H LEU A 39 4.956 -13.766 3.129 1.00 0.00 H new ATOM 0 HA LEU A 39 2.844 -13.380 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.673 -12.710 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.023 -12.135 1.449 1.00 0.00 H new ATOM 0 HG LEU A 39 6.316 -14.548 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.633 -14.713 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.898 -14.986 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.636 -13.426 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.400 -13.190 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.410 -11.855 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.240 -12.357 2.197 1.00 0.00 H new ATOM 586 N GLU A 40 4.189 -16.292 0.977 1.00 0.00 N ATOM 587 CA GLU A 40 4.083 -17.596 0.312 1.00 0.00 C ATOM 588 C GLU A 40 2.839 -18.398 0.753 1.00 0.00 C ATOM 589 O GLU A 40 2.455 -19.373 0.102 1.00 0.00 O ATOM 590 CB GLU A 40 5.399 -18.387 0.475 1.00 0.00 C ATOM 591 CG GLU A 40 5.863 -18.734 1.899 1.00 0.00 C ATOM 592 CD GLU A 40 6.451 -17.544 2.657 1.00 0.00 C ATOM 593 OE1 GLU A 40 5.673 -16.800 3.292 1.00 0.00 O ATOM 594 OE2 GLU A 40 7.685 -17.337 2.664 1.00 0.00 O ATOM 0 H GLU A 40 4.785 -16.315 1.805 1.00 0.00 H new ATOM 0 HA GLU A 40 3.933 -17.416 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.298 -19.320 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.193 -17.815 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.018 -19.131 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.610 -19.526 1.846 1.00 0.00 H new ATOM 601 N GLU A 41 2.177 -17.969 1.832 1.00 0.00 N ATOM 602 CA GLU A 41 0.905 -18.528 2.328 1.00 0.00 C ATOM 603 C GLU A 41 -0.273 -17.540 2.176 1.00 0.00 C ATOM 604 O GLU A 41 -1.418 -17.886 2.479 1.00 0.00 O ATOM 605 CB GLU A 41 1.069 -18.966 3.795 1.00 0.00 C ATOM 606 CG GLU A 41 2.199 -19.994 3.954 1.00 0.00 C ATOM 607 CD GLU A 41 2.185 -20.704 5.307 1.00 0.00 C ATOM 608 OE1 GLU A 41 1.364 -21.633 5.486 1.00 0.00 O ATOM 609 OE2 GLU A 41 3.053 -20.406 6.158 1.00 0.00 O ATOM 0 H GLU A 41 2.519 -17.198 2.406 1.00 0.00 H new ATOM 0 HA GLU A 41 0.661 -19.396 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.279 -18.094 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.133 -19.394 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.119 -20.737 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.158 -19.492 3.825 1.00 0.00 H new ATOM 616 N LYS A 42 0.003 -16.308 1.725 1.00 0.00 N ATOM 617 CA LYS A 42 -0.912 -15.163 1.567 1.00 0.00 C ATOM 618 C LYS A 42 -1.639 -14.768 2.871 1.00 0.00 C ATOM 619 O LYS A 42 -2.688 -14.120 2.841 1.00 0.00 O ATOM 620 CB LYS A 42 -1.865 -15.367 0.374 1.00 0.00 C ATOM 621 CG LYS A 42 -1.089 -15.681 -0.915 1.00 0.00 C ATOM 622 CD LYS A 42 -2.014 -15.704 -2.132 1.00 0.00 C ATOM 623 CE LYS A 42 -1.180 -16.078 -3.359 1.00 0.00 C ATOM 624 NZ LYS A 42 -2.027 -16.307 -4.550 1.00 0.00 N ATOM 0 H LYS A 42 0.951 -16.064 1.437 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.292 -14.298 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.555 -16.182 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.467 -14.470 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.309 -14.934 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.592 -16.646 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.818 -16.425 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.481 -14.729 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.465 -15.282 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.602 -16.977 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.426 -16.558 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.692 -17.083 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.559 -15.441 -4.769 1.00 0.00 H new ATOM 638 N ASN A 43 -1.118 -15.161 4.039 1.00 0.00 N ATOM 639 CA ASN A 43 -1.726 -14.871 5.333 1.00 0.00 C ATOM 640 C ASN A 43 -1.054 -13.682 6.034 1.00 0.00 C ATOM 641 O ASN A 43 0.098 -13.334 5.776 1.00 0.00 O ATOM 642 CB ASN A 43 -1.825 -16.140 6.199 1.00 0.00 C ATOM 643 CG ASN A 43 -0.548 -16.556 6.933 1.00 0.00 C ATOM 644 OD1 ASN A 43 0.069 -15.782 7.650 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.130 -17.799 6.798 1.00 0.00 N ATOM 0 H ASN A 43 -0.252 -15.695 4.108 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.753 -14.548 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.612 -15.990 6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.139 -16.967 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.706 -18.112 7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.643 -18.447 6.200 1.00 0.00 H new ATOM 652 N ALA A 44 -1.822 -13.073 6.925 1.00 0.00 N ATOM 653 CA ALA A 44 -1.446 -11.985 7.809 1.00 0.00 C ATOM 654 C ALA A 44 -1.937 -12.336 9.225 1.00 0.00 C ATOM 655 O ALA A 44 -3.146 -12.448 9.437 1.00 0.00 O ATOM 656 CB ALA A 44 -2.111 -10.713 7.255 1.00 0.00 C ATOM 0 H ALA A 44 -2.795 -13.348 7.057 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.369 -11.824 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.856 -9.864 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.755 -10.529 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.193 -10.844 7.242 1.00 0.00 H new ATOM 662 N THR A 45 -1.020 -12.538 10.180 1.00 0.00 N ATOM 663 CA THR A 45 -1.328 -12.963 11.558 1.00 0.00 C ATOM 664 C THR A 45 -0.823 -11.914 12.527 1.00 0.00 C ATOM 665 O THR A 45 0.331 -11.498 12.465 1.00 0.00 O ATOM 666 CB THR A 45 -0.703 -14.321 11.878 1.00 0.00 C ATOM 667 OG1 THR A 45 -1.181 -15.270 10.955 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.069 -14.827 13.273 1.00 0.00 C ATOM 0 H THR A 45 -0.022 -12.409 10.016 1.00 0.00 H new ATOM 0 HA THR A 45 -2.409 -13.068 11.655 1.00 0.00 H new ATOM 0 HB THR A 45 0.378 -14.193 11.826 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.074 -15.570 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.597 -15.795 13.444 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.720 -14.115 14.021 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.151 -14.932 13.349 1.00 0.00 H new ATOM 676 N ILE A 46 -1.681 -11.483 13.441 1.00 0.00 N ATOM 677 CA ILE A 46 -1.448 -10.303 14.279 1.00 0.00 C ATOM 678 C ILE A 46 -2.008 -10.504 15.688 1.00 0.00 C ATOM 679 O ILE A 46 -3.096 -11.062 15.872 1.00 0.00 O ATOM 680 CB ILE A 46 -2.021 -9.052 13.563 1.00 0.00 C ATOM 681 CG1 ILE A 46 -1.657 -7.743 14.301 1.00 0.00 C ATOM 682 CG2 ILE A 46 -3.536 -9.169 13.316 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.314 -6.483 13.731 1.00 0.00 C ATOM 0 H ILE A 46 -2.571 -11.945 13.628 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.377 -10.148 14.413 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.544 -9.007 12.584 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.941 -7.842 15.349 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.575 -7.616 14.274 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.893 -8.271 12.813 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.737 -10.039 12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.053 -9.280 14.269 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.001 -5.615 14.311 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.011 -6.353 12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.398 -6.583 13.783 1.00 0.00 H new ATOM 695 N ILE A 47 -1.247 -10.017 16.669 1.00 0.00 N ATOM 696 CA ILE A 47 -1.657 -9.863 18.067 1.00 0.00 C ATOM 697 C ILE A 47 -1.808 -8.368 18.371 1.00 0.00 C ATOM 698 O ILE A 47 -0.903 -7.588 18.068 1.00 0.00 O ATOM 699 CB ILE A 47 -0.638 -10.531 19.020 1.00 0.00 C ATOM 700 CG1 ILE A 47 -0.452 -12.029 18.678 1.00 0.00 C ATOM 701 CG2 ILE A 47 -1.130 -10.386 20.468 1.00 0.00 C ATOM 702 CD1 ILE A 47 0.324 -12.832 19.734 1.00 0.00 C ATOM 0 H ILE A 47 -0.289 -9.706 16.506 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.613 -10.362 18.226 1.00 0.00 H new ATOM 0 HB ILE A 47 0.326 -10.036 18.902 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.434 -12.483 18.544 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.069 -12.109 17.724 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.415 -10.855 21.144 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.224 -9.329 20.716 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.101 -10.871 20.573 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.407 -13.870 19.413 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.321 -12.408 19.853 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.205 -12.788 20.686 1.00 0.00 H new ATOM 714 N TYR A 48 -2.919 -7.970 18.992 1.00 0.00 N ATOM 715 CA TYR A 48 -3.333 -6.576 19.192 1.00 0.00 C ATOM 716 C TYR A 48 -4.090 -6.359 20.520 1.00 0.00 C ATOM 717 O TYR A 48 -4.795 -7.248 21.001 1.00 0.00 O ATOM 718 CB TYR A 48 -4.184 -6.133 17.982 1.00 0.00 C ATOM 719 CG TYR A 48 -5.465 -6.933 17.762 1.00 0.00 C ATOM 720 CD1 TYR A 48 -5.425 -8.190 17.119 1.00 0.00 C ATOM 721 CD2 TYR A 48 -6.701 -6.432 18.219 1.00 0.00 C ATOM 722 CE1 TYR A 48 -6.590 -8.968 16.991 1.00 0.00 C ATOM 723 CE2 TYR A 48 -7.876 -7.195 18.076 1.00 0.00 C ATOM 724 CZ TYR A 48 -7.820 -8.474 17.477 1.00 0.00 C ATOM 725 OH TYR A 48 -8.945 -9.237 17.398 1.00 0.00 O ATOM 0 H TYR A 48 -3.584 -8.635 19.386 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.437 -5.960 19.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.447 -5.083 18.108 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.572 -6.202 17.083 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.490 -8.558 16.722 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.747 -5.457 18.682 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.544 -9.940 16.522 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.820 -6.803 18.424 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.702 -8.745 17.779 1.00 0.00 H new ATOM 735 N ASP A 49 -3.956 -5.164 21.106 1.00 0.00 N ATOM 736 CA ASP A 49 -4.781 -4.702 22.228 1.00 0.00 C ATOM 737 C ASP A 49 -6.142 -4.184 21.706 1.00 0.00 C ATOM 738 O ASP A 49 -6.156 -3.325 20.815 1.00 0.00 O ATOM 739 CB ASP A 49 -4.038 -3.609 23.011 1.00 0.00 C ATOM 740 CG ASP A 49 -4.799 -3.182 24.270 1.00 0.00 C ATOM 741 OD1 ASP A 49 -4.726 -3.917 25.287 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.436 -2.106 24.236 1.00 0.00 O ATOM 0 H ASP A 49 -3.260 -4.480 20.809 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.970 -5.536 22.904 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.050 -3.973 23.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.887 -2.742 22.368 1.00 0.00 H new ATOM 747 N PRO A 50 -7.277 -4.682 22.235 1.00 0.00 N ATOM 748 CA PRO A 50 -8.599 -4.455 21.651 1.00 0.00 C ATOM 749 C PRO A 50 -9.132 -3.032 21.870 1.00 0.00 C ATOM 750 O PRO A 50 -10.012 -2.590 21.132 1.00 0.00 O ATOM 751 CB PRO A 50 -9.505 -5.499 22.313 1.00 0.00 C ATOM 752 CG PRO A 50 -8.864 -5.704 23.685 1.00 0.00 C ATOM 753 CD PRO A 50 -7.378 -5.606 23.358 1.00 0.00 C ATOM 0 HA PRO A 50 -8.560 -4.556 20.566 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.532 -5.144 22.398 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.535 -6.426 21.741 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.176 -4.942 24.399 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.124 -6.671 24.117 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.812 -5.242 24.216 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.970 -6.583 23.098 1.00 0.00 H new ATOM 761 N LYS A 51 -8.612 -2.287 22.855 1.00 0.00 N ATOM 762 CA LYS A 51 -9.134 -0.958 23.196 1.00 0.00 C ATOM 763 C LYS A 51 -8.849 0.112 22.124 1.00 0.00 C ATOM 764 O LYS A 51 -9.514 1.154 22.105 1.00 0.00 O ATOM 765 CB LYS A 51 -8.558 -0.510 24.550 1.00 0.00 C ATOM 766 CG LYS A 51 -8.833 -1.494 25.700 1.00 0.00 C ATOM 767 CD LYS A 51 -8.646 -0.836 27.074 1.00 0.00 C ATOM 768 CE LYS A 51 -7.250 -0.224 27.259 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.196 0.581 28.498 1.00 0.00 N ATOM 0 H LYS A 51 -7.826 -2.585 23.432 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.218 -1.053 23.252 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.481 -0.376 24.449 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.977 0.462 24.809 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.851 -1.875 25.616 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.164 -2.350 25.613 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.398 -0.058 27.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.818 -1.579 27.853 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.502 -1.016 27.300 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.005 0.402 26.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.245 0.987 28.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.896 1.348 28.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.409 -0.025 29.316 1.00 0.00 H new ATOM 783 N LEU A 52 -7.840 -0.123 21.274 1.00 0.00 N ATOM 784 CA LEU A 52 -7.324 0.797 20.247 1.00 0.00 C ATOM 785 C LEU A 52 -7.562 0.314 18.800 1.00 0.00 C ATOM 786 O LEU A 52 -7.372 1.098 17.863 1.00 0.00 O ATOM 787 CB LEU A 52 -5.804 0.936 20.491 1.00 0.00 C ATOM 788 CG LEU A 52 -5.359 2.017 21.501 1.00 0.00 C ATOM 789 CD1 LEU A 52 -6.014 1.924 22.886 1.00 0.00 C ATOM 790 CD2 LEU A 52 -3.842 1.889 21.681 1.00 0.00 C ATOM 0 H LEU A 52 -7.333 -1.008 21.284 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.858 1.743 20.338 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.425 -0.027 20.834 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.324 1.145 19.535 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.671 2.975 21.085 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.637 2.725 23.521 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.095 2.020 22.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.776 0.961 23.337 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.495 2.640 22.390 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.603 0.895 22.059 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.348 2.040 20.721 1.00 0.00 H new ATOM 802 N GLN A 53 -7.892 -0.963 18.581 1.00 0.00 N ATOM 803 CA GLN A 53 -7.677 -1.635 17.296 1.00 0.00 C ATOM 804 C GLN A 53 -8.486 -2.936 17.223 1.00 0.00 C ATOM 805 O GLN A 53 -8.649 -3.615 18.233 1.00 0.00 O ATOM 806 CB GLN A 53 -6.163 -1.881 17.158 1.00 0.00 C ATOM 807 CG GLN A 53 -5.707 -2.497 15.828 1.00 0.00 C ATOM 808 CD GLN A 53 -4.190 -2.393 15.647 1.00 0.00 C ATOM 809 OE1 GLN A 53 -3.444 -1.973 16.518 1.00 0.00 O ATOM 810 NE2 GLN A 53 -3.655 -2.726 14.495 1.00 0.00 N ATOM 0 H GLN A 53 -8.316 -1.560 19.291 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.024 -1.018 16.467 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.645 -0.931 17.294 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.845 -2.536 17.969 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.007 -3.544 15.790 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.208 -1.992 15.002 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.245 -3.081 13.742 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.650 -2.630 14.353 1.00 0.00 H new ATOM 819 N THR A 54 -8.993 -3.280 16.031 1.00 0.00 N ATOM 820 CA THR A 54 -9.935 -4.396 15.819 1.00 0.00 C ATOM 821 C THR A 54 -9.624 -5.165 14.527 1.00 0.00 C ATOM 822 O THR A 54 -8.928 -4.624 13.665 1.00 0.00 O ATOM 823 CB THR A 54 -11.384 -3.883 15.760 1.00 0.00 C ATOM 824 OG1 THR A 54 -11.519 -3.010 14.667 1.00 0.00 O ATOM 825 CG2 THR A 54 -11.835 -3.170 17.034 1.00 0.00 C ATOM 0 H THR A 54 -8.758 -2.785 15.171 1.00 0.00 H new ATOM 0 HA THR A 54 -9.819 -5.073 16.665 1.00 0.00 H new ATOM 0 HB THR A 54 -12.023 -4.759 15.650 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.751 -2.403 14.637 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.866 -2.836 16.919 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.768 -3.856 17.878 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.193 -2.308 17.215 1.00 0.00 H new ATOM 833 N PRO A 55 -10.175 -6.381 14.332 1.00 0.00 N ATOM 834 CA PRO A 55 -10.185 -7.058 13.036 1.00 0.00 C ATOM 835 C PRO A 55 -10.732 -6.172 11.908 1.00 0.00 C ATOM 836 O PRO A 55 -10.170 -6.165 10.816 1.00 0.00 O ATOM 837 CB PRO A 55 -11.016 -8.328 13.232 1.00 0.00 C ATOM 838 CG PRO A 55 -10.905 -8.607 14.727 1.00 0.00 C ATOM 839 CD PRO A 55 -10.796 -7.217 15.348 1.00 0.00 C ATOM 0 HA PRO A 55 -9.170 -7.297 12.718 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.052 -8.179 12.929 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.627 -9.156 12.640 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.777 -9.145 15.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.032 -9.218 14.957 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.778 -6.833 15.624 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.195 -7.240 16.257 1.00 0.00 H new ATOM 847 N LYS A 56 -11.761 -5.355 12.175 1.00 0.00 N ATOM 848 CA LYS A 56 -12.243 -4.351 11.215 1.00 0.00 C ATOM 849 C LYS A 56 -11.137 -3.349 10.817 1.00 0.00 C ATOM 850 O LYS A 56 -10.911 -3.138 9.622 1.00 0.00 O ATOM 851 CB LYS A 56 -13.482 -3.646 11.802 1.00 0.00 C ATOM 852 CG LYS A 56 -14.242 -2.774 10.784 1.00 0.00 C ATOM 853 CD LYS A 56 -14.978 -3.568 9.691 1.00 0.00 C ATOM 854 CE LYS A 56 -16.127 -4.393 10.285 1.00 0.00 C ATOM 855 NZ LYS A 56 -16.853 -5.169 9.256 1.00 0.00 N ATOM 0 H LYS A 56 -12.279 -5.370 13.054 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.529 -4.855 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.162 -4.399 12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.171 -3.022 12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.966 -2.160 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.536 -2.093 10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.370 -2.882 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.276 -4.230 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.730 -5.074 11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.824 -3.727 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.619 -5.710 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.255 -4.519 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.196 -5.825 8.787 1.00 0.00 H new ATOM 869 N THR A 57 -10.388 -2.801 11.790 1.00 0.00 N ATOM 870 CA THR A 57 -9.227 -1.906 11.569 1.00 0.00 C ATOM 871 C THR A 57 -8.192 -2.554 10.649 1.00 0.00 C ATOM 872 O THR A 57 -7.637 -1.878 9.783 1.00 0.00 O ATOM 873 CB THR A 57 -8.552 -1.535 12.903 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.510 -1.165 13.866 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.564 -0.377 12.773 1.00 0.00 C ATOM 0 H THR A 57 -10.574 -2.970 12.779 1.00 0.00 H new ATOM 0 HA THR A 57 -9.608 -1.002 11.094 1.00 0.00 H new ATOM 0 HB THR A 57 -8.010 -2.430 13.209 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.078 -0.643 14.574 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.123 -0.164 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.777 -0.647 12.069 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.087 0.508 12.410 1.00 0.00 H new ATOM 883 N LEU A 58 -7.953 -3.859 10.822 1.00 0.00 N ATOM 884 CA LEU A 58 -6.993 -4.649 10.043 1.00 0.00 C ATOM 885 C LEU A 58 -7.461 -4.878 8.599 1.00 0.00 C ATOM 886 O LEU A 58 -6.630 -4.831 7.699 1.00 0.00 O ATOM 887 CB LEU A 58 -6.745 -5.987 10.769 1.00 0.00 C ATOM 888 CG LEU A 58 -5.790 -5.996 11.987 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.574 -4.655 12.701 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.278 -7.026 13.018 1.00 0.00 C ATOM 0 H LEU A 58 -8.437 -4.411 11.530 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.060 -4.090 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.710 -6.369 11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.357 -6.695 10.037 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.820 -6.252 11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.886 -4.794 13.535 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.154 -3.933 12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.528 -4.284 13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.604 -7.031 13.875 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.283 -6.762 13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.294 -8.017 12.563 1.00 0.00 H new ATOM 902 N GLN A 59 -8.760 -5.090 8.354 1.00 0.00 N ATOM 903 CA GLN A 59 -9.308 -5.170 6.992 1.00 0.00 C ATOM 904 C GLN A 59 -9.187 -3.822 6.263 1.00 0.00 C ATOM 905 O GLN A 59 -8.728 -3.775 5.123 1.00 0.00 O ATOM 906 CB GLN A 59 -10.793 -5.572 7.025 1.00 0.00 C ATOM 907 CG GLN A 59 -11.066 -6.987 7.545 1.00 0.00 C ATOM 908 CD GLN A 59 -12.567 -7.275 7.544 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.342 -6.655 8.263 1.00 0.00 O ATOM 910 NE2 GLN A 59 -13.041 -8.165 6.702 1.00 0.00 N ATOM 0 H GLN A 59 -9.458 -5.210 9.088 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.730 -5.924 6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.333 -4.860 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.200 -5.486 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.549 -7.716 6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.670 -7.093 8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.405 -8.686 6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.046 -8.335 6.651 1.00 0.00 H new ATOM 919 N GLU A 60 -9.586 -2.724 6.914 1.00 0.00 N ATOM 920 CA GLU A 60 -9.562 -1.367 6.347 1.00 0.00 C ATOM 921 C GLU A 60 -8.153 -0.900 5.985 1.00 0.00 C ATOM 922 O GLU A 60 -7.980 -0.181 5.000 1.00 0.00 O ATOM 923 CB GLU A 60 -10.130 -0.386 7.385 1.00 0.00 C ATOM 924 CG GLU A 60 -11.635 -0.531 7.590 1.00 0.00 C ATOM 925 CD GLU A 60 -12.436 -0.096 6.364 1.00 0.00 C ATOM 926 OE1 GLU A 60 -12.334 1.073 5.926 1.00 0.00 O ATOM 927 OE2 GLU A 60 -13.186 -0.927 5.800 1.00 0.00 O ATOM 0 H GLU A 60 -9.942 -2.752 7.869 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.157 -1.391 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.624 -0.542 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.910 0.634 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.868 -1.570 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.941 0.065 8.450 1.00 0.00 H new ATOM 934 N ALA A 61 -7.147 -1.317 6.758 1.00 0.00 N ATOM 935 CA ALA A 61 -5.742 -1.006 6.470 1.00 0.00 C ATOM 936 C ALA A 61 -5.297 -1.482 5.073 1.00 0.00 C ATOM 937 O ALA A 61 -4.470 -0.830 4.437 1.00 0.00 O ATOM 938 CB ALA A 61 -4.846 -1.593 7.574 1.00 0.00 C ATOM 0 H ALA A 61 -7.281 -1.878 7.599 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.638 0.079 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.803 -1.361 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.122 -1.160 8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.977 -2.674 7.612 1.00 0.00 H new ATOM 944 N ILE A 62 -5.867 -2.585 4.572 1.00 0.00 N ATOM 945 CA ILE A 62 -5.572 -3.128 3.238 1.00 0.00 C ATOM 946 C ILE A 62 -6.134 -2.239 2.120 1.00 0.00 C ATOM 947 O ILE A 62 -5.522 -2.139 1.058 1.00 0.00 O ATOM 948 CB ILE A 62 -6.127 -4.574 3.116 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.781 -5.496 4.309 1.00 0.00 C ATOM 950 CG2 ILE A 62 -5.675 -5.245 1.806 1.00 0.00 C ATOM 951 CD1 ILE A 62 -4.302 -5.520 4.711 1.00 0.00 C ATOM 0 H ILE A 62 -6.555 -3.133 5.088 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.489 -3.149 3.120 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.210 -4.449 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.370 -5.183 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.090 -6.512 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.082 -6.255 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.036 -4.665 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.586 -5.291 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.165 -6.195 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.702 -5.865 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.986 -4.516 4.994 1.00 0.00 H new ATOM 963 N ASP A 63 -7.289 -1.601 2.344 1.00 0.00 N ATOM 964 CA ASP A 63 -7.988 -0.803 1.326 1.00 0.00 C ATOM 965 C ASP A 63 -7.307 0.544 0.998 1.00 0.00 C ATOM 966 O ASP A 63 -7.694 1.222 0.046 1.00 0.00 O ATOM 967 CB ASP A 63 -9.473 -0.640 1.687 1.00 0.00 C ATOM 968 CG ASP A 63 -10.303 -0.153 0.490 1.00 0.00 C ATOM 969 OD1 ASP A 63 -10.322 -0.827 -0.569 1.00 0.00 O ATOM 970 OD2 ASP A 63 -10.958 0.910 0.597 1.00 0.00 O ATOM 0 H ASP A 63 -7.770 -1.623 3.243 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.923 -1.369 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.868 -1.593 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.571 0.069 2.509 1.00 0.00 H new ATOM 975 N ASP A 64 -6.267 0.926 1.746 1.00 0.00 N ATOM 976 CA ASP A 64 -5.343 2.002 1.362 1.00 0.00 C ATOM 977 C ASP A 64 -4.572 1.667 0.070 1.00 0.00 C ATOM 978 O ASP A 64 -4.242 2.567 -0.709 1.00 0.00 O ATOM 979 CB ASP A 64 -4.354 2.239 2.507 1.00 0.00 C ATOM 980 CG ASP A 64 -4.943 3.072 3.643 1.00 0.00 C ATOM 981 OD1 ASP A 64 -5.635 2.505 4.518 1.00 0.00 O ATOM 982 OD2 ASP A 64 -4.721 4.306 3.671 1.00 0.00 O ATOM 0 H ASP A 64 -6.040 0.495 2.642 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.928 2.901 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.027 1.277 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.469 2.741 2.117 1.00 0.00 H new ATOM 987 N MET A 65 -4.340 0.377 -0.188 1.00 0.00 N ATOM 988 CA MET A 65 -3.762 -0.154 -1.424 1.00 0.00 C ATOM 989 C MET A 65 -4.861 -0.679 -2.364 1.00 0.00 C ATOM 990 O MET A 65 -6.059 -0.640 -2.070 1.00 0.00 O ATOM 991 CB MET A 65 -2.756 -1.275 -1.086 1.00 0.00 C ATOM 992 CG MET A 65 -1.475 -0.784 -0.398 1.00 0.00 C ATOM 993 SD MET A 65 -1.587 -0.435 1.373 1.00 0.00 S ATOM 994 CE MET A 65 -1.918 -2.102 2.002 1.00 0.00 C ATOM 0 H MET A 65 -4.559 -0.356 0.487 1.00 0.00 H new ATOM 0 HA MET A 65 -3.239 0.651 -1.941 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.245 -2.004 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.485 -1.794 -2.005 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.699 -1.534 -0.549 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.144 0.123 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.998 -2.072 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.852 -2.472 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.103 -2.767 1.717 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.434 -1.216 -3.509 1.00 0.00 N ATOM 1005 CA GLY A 66 -5.264 -1.999 -4.423 1.00 0.00 C ATOM 1006 C GLY A 66 -5.109 -3.498 -4.181 1.00 0.00 C ATOM 1007 O GLY A 66 -4.664 -4.204 -5.085 1.00 0.00 O ATOM 0 H GLY A 66 -3.473 -1.114 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.309 -1.716 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.991 -1.766 -5.452 1.00 0.00 H new ATOM 1011 N PHE A 67 -5.430 -3.958 -2.968 1.00 0.00 N ATOM 1012 CA PHE A 67 -5.358 -5.361 -2.538 1.00 0.00 C ATOM 1013 C PHE A 67 -6.708 -5.840 -1.962 1.00 0.00 C ATOM 1014 O PHE A 67 -7.654 -5.064 -1.832 1.00 0.00 O ATOM 1015 CB PHE A 67 -4.216 -5.513 -1.511 1.00 0.00 C ATOM 1016 CG PHE A 67 -2.797 -5.229 -1.985 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -2.354 -5.624 -3.265 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.884 -4.620 -1.101 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -1.025 -5.390 -3.659 1.00 0.00 C ATOM 1020 CE2 PHE A 67 -0.553 -4.390 -1.494 1.00 0.00 C ATOM 1021 CZ PHE A 67 -0.124 -4.772 -2.775 1.00 0.00 C ATOM 0 H PHE A 67 -5.761 -3.339 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.146 -5.993 -3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.429 -4.850 -0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.244 -6.533 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.039 -6.108 -3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.209 -4.327 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.695 -5.686 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.139 -3.920 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.896 -4.591 -3.080 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.800 -7.124 -1.603 1.00 0.00 N ATOM 1032 CA ASP A 68 -8.033 -7.817 -1.200 1.00 0.00 C ATOM 1033 C ASP A 68 -7.724 -8.831 -0.079 1.00 0.00 C ATOM 1034 O ASP A 68 -6.583 -9.286 0.042 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.648 -8.486 -2.450 1.00 0.00 C ATOM 1036 CG ASP A 68 -10.141 -8.820 -2.346 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -10.738 -8.655 -1.256 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -10.722 -9.238 -3.379 1.00 0.00 O ATOM 0 H ASP A 68 -5.985 -7.737 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.761 -7.114 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.499 -7.827 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.100 -9.405 -2.656 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.712 -9.164 0.759 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.532 -9.959 1.981 1.00 0.00 C ATOM 1045 C ALA A 69 -9.821 -10.660 2.459 1.00 0.00 C ATOM 1046 O ALA A 69 -10.923 -10.264 2.074 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.964 -9.038 3.076 1.00 0.00 C ATOM 0 H ALA A 69 -9.680 -8.883 0.604 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.837 -10.768 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.822 -9.609 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.007 -8.632 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.661 -8.220 3.261 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.692 -11.653 3.348 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.803 -12.335 4.047 1.00 0.00 C ATOM 1055 C VAL A 70 -10.343 -12.769 5.446 1.00 0.00 C ATOM 1056 O VAL A 70 -9.247 -13.312 5.593 1.00 0.00 O ATOM 1057 CB VAL A 70 -11.311 -13.593 3.287 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.667 -14.044 3.854 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.491 -13.397 1.769 1.00 0.00 C ATOM 0 H VAL A 70 -8.779 -12.022 3.614 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.624 -11.620 4.104 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.531 -14.339 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.012 -14.925 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.557 -14.286 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.395 -13.240 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.848 -14.325 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.217 -12.604 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.536 -13.123 1.322 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.156 -12.554 6.487 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.849 -13.019 7.853 1.00 0.00 C ATOM 1071 C ILE A 71 -10.948 -14.549 7.932 1.00 0.00 C ATOM 1072 O ILE A 71 -11.919 -15.151 7.469 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.736 -12.306 8.908 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.425 -10.789 8.923 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.507 -12.914 10.311 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.380 -9.948 9.778 1.00 0.00 C ATOM 0 H ILE A 71 -12.043 -12.055 6.411 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.820 -12.748 8.090 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.782 -12.450 8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.408 -10.644 9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.452 -10.416 7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.138 -12.401 11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.761 -13.974 10.294 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.460 -12.796 10.592 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.085 -8.900 9.728 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.397 -10.057 9.402 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.337 -10.288 10.813 1.00 0.00 H new ATOM 1088 N HIS A 72 -9.928 -15.177 8.518 1.00 0.00 N ATOM 1089 CA HIS A 72 -9.735 -16.631 8.512 1.00 0.00 C ATOM 1090 C HIS A 72 -9.712 -17.253 9.928 1.00 0.00 C ATOM 1091 O HIS A 72 -10.133 -18.404 10.071 1.00 0.00 O ATOM 1092 CB HIS A 72 -8.458 -16.874 7.682 1.00 0.00 C ATOM 1093 CG HIS A 72 -7.797 -18.213 7.865 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -7.745 -19.252 6.966 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -7.029 -18.569 8.935 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -6.976 -20.219 7.490 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -6.506 -19.848 8.699 1.00 0.00 N ATOM 0 H HIS A 72 -9.195 -14.679 9.022 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.582 -17.145 8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.706 -16.755 6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.735 -16.097 7.929 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.854 -17.967 9.815 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.763 -21.163 7.011 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.896 -20.387 9.314 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.262 -16.499 10.948 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.249 -16.767 12.407 1.00 0.00 C ATOM 1107 C ASN A 73 -7.896 -17.309 12.891 1.00 0.00 C ATOM 1108 O ASN A 73 -7.227 -16.565 13.640 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.472 -17.591 12.891 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.502 -17.823 14.391 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -10.156 -18.892 14.876 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -10.864 -16.844 15.178 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.493 -18.439 12.517 1.00 0.00 O ATOM 0 H ASN A 73 -8.853 -15.585 10.753 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.365 -15.800 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.385 -17.075 12.595 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.472 -18.556 12.384 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.857 -16.974 16.190 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.153 -15.950 14.780 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 -1.256 16.280 -18.936 1.00 0.00 N ATOM 1122 CA MET B 74 -0.595 16.805 -20.144 1.00 0.00 C ATOM 1123 C MET B 74 0.936 16.781 -20.026 1.00 0.00 C ATOM 1124 O MET B 74 1.532 16.014 -20.786 1.00 0.00 O ATOM 1125 CB MET B 74 -1.206 18.129 -20.639 1.00 0.00 C ATOM 1126 CG MET B 74 -0.644 18.529 -22.008 1.00 0.00 C ATOM 1127 SD MET B 74 -0.897 17.269 -23.289 1.00 0.00 S ATOM 1128 CE MET B 74 -0.066 18.058 -24.692 1.00 0.00 C ATOM 0 HA MET B 74 -0.810 16.114 -20.959 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.289 18.029 -20.704 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.002 18.918 -19.916 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.113 19.460 -22.327 1.00 0.00 H new ATOM 0 HG3 MET B 74 0.423 18.727 -21.910 1.00 0.00 H new ATOM 0 HE1 MET B 74 -0.131 17.409 -25.565 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.548 19.011 -24.911 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.982 18.229 -24.445 1.00 0.00 H new ATOM 1140 N PRO B 75 1.609 17.565 -19.151 1.00 0.00 N ATOM 1141 CA PRO B 75 3.072 17.546 -19.044 1.00 0.00 C ATOM 1142 C PRO B 75 3.591 16.344 -18.241 1.00 0.00 C ATOM 1143 O PRO B 75 3.025 15.962 -17.218 1.00 0.00 O ATOM 1144 CB PRO B 75 3.448 18.857 -18.354 1.00 0.00 C ATOM 1145 CG PRO B 75 2.259 19.089 -17.428 1.00 0.00 C ATOM 1146 CD PRO B 75 1.072 18.587 -18.252 1.00 0.00 C ATOM 0 HA PRO B 75 3.525 17.450 -20.031 1.00 0.00 H new ATOM 0 HB2 PRO B 75 4.384 18.772 -17.801 1.00 0.00 H new ATOM 0 HB3 PRO B 75 3.573 19.671 -19.068 1.00 0.00 H new ATOM 0 HG2 PRO B 75 2.363 18.537 -16.494 1.00 0.00 H new ATOM 0 HG3 PRO B 75 2.151 20.142 -17.167 1.00 0.00 H new ATOM 0 HD2 PRO B 75 0.297 18.172 -17.607 1.00 0.00 H new ATOM 0 HD3 PRO B 75 0.616 19.401 -18.815 1.00 0.00 H new ATOM 1154 N LYS B 76 4.706 15.762 -18.682 1.00 0.00 N ATOM 1155 CA LYS B 76 5.361 14.635 -18.012 1.00 0.00 C ATOM 1156 C LYS B 76 6.088 15.055 -16.715 1.00 0.00 C ATOM 1157 O LYS B 76 7.018 15.868 -16.735 1.00 0.00 O ATOM 1158 CB LYS B 76 6.295 13.933 -19.016 1.00 0.00 C ATOM 1159 CG LYS B 76 5.551 13.218 -20.164 1.00 0.00 C ATOM 1160 CD LYS B 76 5.557 11.684 -20.072 1.00 0.00 C ATOM 1161 CE LYS B 76 4.988 11.154 -18.749 1.00 0.00 C ATOM 1162 NZ LYS B 76 4.808 9.685 -18.797 1.00 0.00 N ATOM 0 H LYS B 76 5.189 16.064 -19.528 1.00 0.00 H new ATOM 0 HA LYS B 76 4.599 13.927 -17.686 1.00 0.00 H new ATOM 0 HB2 LYS B 76 6.976 14.670 -19.441 1.00 0.00 H new ATOM 0 HB3 LYS B 76 6.906 13.205 -18.482 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.517 13.564 -20.181 1.00 0.00 H new ATOM 0 HG3 LYS B 76 6.002 13.514 -21.111 1.00 0.00 H new ATOM 0 HD2 LYS B 76 4.977 11.275 -20.899 1.00 0.00 H new ATOM 0 HD3 LYS B 76 6.579 11.324 -20.191 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.659 11.415 -17.930 1.00 0.00 H new ATOM 0 HE3 LYS B 76 4.032 11.634 -18.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 4.771 9.308 -17.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 3.920 9.460 -19.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.606 9.254 -19.306 1.00 0.00 H new ATOM 1176 N HIS B 77 5.718 14.435 -15.594 1.00 0.00 N ATOM 1177 CA HIS B 77 6.376 14.545 -14.284 1.00 0.00 C ATOM 1178 C HIS B 77 7.072 13.212 -13.901 1.00 0.00 C ATOM 1179 O HIS B 77 6.587 12.134 -14.265 1.00 0.00 O ATOM 1180 CB HIS B 77 5.311 14.891 -13.224 1.00 0.00 C ATOM 1181 CG HIS B 77 4.671 16.261 -13.324 1.00 0.00 C ATOM 1182 ND1 HIS B 77 5.145 17.442 -12.786 1.00 0.00 N ATOM 1183 CD2 HIS B 77 3.422 16.533 -13.822 1.00 0.00 C ATOM 1184 CE1 HIS B 77 4.206 18.388 -12.959 1.00 0.00 C ATOM 1185 NE2 HIS B 77 3.126 17.882 -13.582 1.00 0.00 N ATOM 0 H HIS B 77 4.912 13.811 -15.570 1.00 0.00 H new ATOM 0 HA HIS B 77 7.135 15.326 -14.332 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.521 14.142 -13.278 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.769 14.801 -12.239 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.774 15.825 -14.317 1.00 0.00 H new ATOM 0 HE1 HIS B 77 4.305 19.415 -12.641 1.00 0.00 H new ATOM 0 HE2 HIS B 77 2.269 18.377 -13.829 1.00 0.00 H new ATOM 1193 N GLU B 78 8.178 13.260 -13.148 1.00 0.00 N ATOM 1194 CA GLU B 78 8.847 12.097 -12.540 1.00 0.00 C ATOM 1195 C GLU B 78 8.607 12.094 -11.018 1.00 0.00 C ATOM 1196 O GLU B 78 8.902 13.083 -10.344 1.00 0.00 O ATOM 1197 CB GLU B 78 10.371 12.128 -12.800 1.00 0.00 C ATOM 1198 CG GLU B 78 10.790 12.038 -14.272 1.00 0.00 C ATOM 1199 CD GLU B 78 12.312 12.119 -14.450 1.00 0.00 C ATOM 1200 OE1 GLU B 78 13.007 11.078 -14.340 1.00 0.00 O ATOM 1201 OE2 GLU B 78 12.842 13.218 -14.746 1.00 0.00 O ATOM 0 H GLU B 78 8.650 14.139 -12.936 1.00 0.00 H new ATOM 0 HA GLU B 78 8.429 11.198 -12.993 1.00 0.00 H new ATOM 0 HB2 GLU B 78 10.775 13.049 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU B 78 10.832 11.302 -12.258 1.00 0.00 H new ATOM 0 HG2 GLU B 78 10.426 11.101 -14.694 1.00 0.00 H new ATOM 0 HG3 GLU B 78 10.317 12.845 -14.832 1.00 0.00 H new ATOM 1208 N PHE B 79 8.122 10.977 -10.466 1.00 0.00 N ATOM 1209 CA PHE B 79 7.978 10.742 -9.021 1.00 0.00 C ATOM 1210 C PHE B 79 8.601 9.390 -8.645 1.00 0.00 C ATOM 1211 O PHE B 79 8.525 8.440 -9.429 1.00 0.00 O ATOM 1212 CB PHE B 79 6.492 10.715 -8.621 1.00 0.00 C ATOM 1213 CG PHE B 79 5.653 11.919 -9.008 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.528 13.010 -8.128 1.00 0.00 C ATOM 1215 CD2 PHE B 79 4.933 11.913 -10.219 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.691 14.093 -8.461 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.085 12.987 -10.541 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.963 14.075 -9.662 1.00 0.00 C ATOM 0 H PHE B 79 7.808 10.186 -11.028 1.00 0.00 H new ATOM 0 HA PHE B 79 8.485 11.552 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE B 79 6.038 9.829 -9.064 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.434 10.595 -7.539 1.00 0.00 H new ATOM 0 HD1 PHE B 79 6.074 13.017 -7.196 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.033 11.082 -10.901 1.00 0.00 H new ATOM 0 HE1 PHE B 79 4.609 14.937 -7.793 1.00 0.00 H new ATOM 0 HE2 PHE B 79 3.527 12.975 -11.465 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.309 14.898 -9.909 1.00 0.00 H new ATOM 1228 N SER B 80 9.140 9.255 -7.434 1.00 0.00 N ATOM 1229 CA SER B 80 9.713 7.991 -6.946 1.00 0.00 C ATOM 1230 C SER B 80 9.231 7.608 -5.539 1.00 0.00 C ATOM 1231 O SER B 80 8.805 8.461 -4.761 1.00 0.00 O ATOM 1232 CB SER B 80 11.244 8.011 -7.036 1.00 0.00 C ATOM 1233 OG SER B 80 11.633 7.953 -8.398 1.00 0.00 O ATOM 0 H SER B 80 9.194 10.018 -6.759 1.00 0.00 H new ATOM 0 HA SER B 80 9.342 7.208 -7.607 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.635 8.916 -6.572 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.663 7.166 -6.490 1.00 0.00 H new ATOM 0 HG SER B 80 12.611 7.967 -8.460 1.00 0.00 H new ATOM 1239 N VAL B 81 9.263 6.299 -5.255 1.00 0.00 N ATOM 1240 CA VAL B 81 8.595 5.635 -4.119 1.00 0.00 C ATOM 1241 C VAL B 81 9.461 4.501 -3.542 1.00 0.00 C ATOM 1242 O VAL B 81 10.547 4.224 -4.046 1.00 0.00 O ATOM 1243 CB VAL B 81 7.204 5.086 -4.534 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.184 6.204 -4.787 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.269 4.167 -5.765 1.00 0.00 C ATOM 0 H VAL B 81 9.779 5.639 -5.837 1.00 0.00 H new ATOM 0 HA VAL B 81 8.455 6.387 -3.342 1.00 0.00 H new ATOM 0 HB VAL B 81 6.870 4.494 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.228 5.766 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.055 6.792 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.543 6.849 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.267 3.813 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.674 4.721 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL B 81 7.912 3.314 -5.549 1.00 0.00 H new ATOM 1255 N ASP B 82 8.982 3.832 -2.485 1.00 0.00 N ATOM 1256 CA ASP B 82 9.747 2.839 -1.713 1.00 0.00 C ATOM 1257 C ASP B 82 9.856 1.432 -2.359 1.00 0.00 C ATOM 1258 O ASP B 82 10.587 0.581 -1.842 1.00 0.00 O ATOM 1259 CB ASP B 82 9.114 2.700 -0.315 1.00 0.00 C ATOM 1260 CG ASP B 82 9.068 3.990 0.498 1.00 0.00 C ATOM 1261 OD1 ASP B 82 10.132 4.631 0.674 1.00 0.00 O ATOM 1262 OD2 ASP B 82 7.975 4.335 0.995 1.00 0.00 O ATOM 0 H ASP B 82 8.034 3.967 -2.134 1.00 0.00 H new ATOM 0 HA ASP B 82 10.767 3.221 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP B 82 8.098 2.322 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.672 1.952 0.248 1.00 0.00 H new ATOM 1267 N MET B 83 9.105 1.149 -3.432 1.00 0.00 N ATOM 1268 CA MET B 83 8.825 -0.215 -3.928 1.00 0.00 C ATOM 1269 C MET B 83 9.812 -0.743 -4.989 1.00 0.00 C ATOM 1270 O MET B 83 10.146 -0.027 -5.932 1.00 0.00 O ATOM 1271 CB MET B 83 7.370 -0.301 -4.434 1.00 0.00 C ATOM 1272 CG MET B 83 7.148 0.325 -5.821 1.00 0.00 C ATOM 1273 SD MET B 83 5.422 0.649 -6.249 1.00 0.00 S ATOM 1274 CE MET B 83 5.668 1.213 -7.952 1.00 0.00 C ATOM 0 H MET B 83 8.663 1.875 -3.996 1.00 0.00 H new ATOM 0 HA MET B 83 8.968 -0.875 -3.072 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.070 -1.348 -4.468 1.00 0.00 H new ATOM 0 HB3 MET B 83 6.717 0.194 -3.715 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.701 1.263 -5.872 1.00 0.00 H new ATOM 0 HG3 MET B 83 7.575 -0.338 -6.574 1.00 0.00 H new ATOM 0 HE1 MET B 83 4.704 1.464 -8.395 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.309 2.094 -7.954 1.00 0.00 H new ATOM 0 HE3 MET B 83 6.139 0.420 -8.533 1.00 0.00 H new ATOM 1284 N THR B 84 10.205 -2.021 -4.873 1.00 0.00 N ATOM 1285 CA THR B 84 10.956 -2.793 -5.896 1.00 0.00 C ATOM 1286 C THR B 84 10.097 -3.968 -6.389 1.00 0.00 C ATOM 1287 O THR B 84 10.586 -5.082 -6.585 1.00 0.00 O ATOM 1288 CB THR B 84 12.321 -3.257 -5.348 1.00 0.00 C ATOM 1289 OG1 THR B 84 12.936 -2.182 -4.686 1.00 0.00 O ATOM 1290 CG2 THR B 84 13.316 -3.670 -6.439 1.00 0.00 C ATOM 0 H THR B 84 10.005 -2.572 -4.038 1.00 0.00 H new ATOM 0 HA THR B 84 11.168 -2.149 -6.749 1.00 0.00 H new ATOM 0 HB THR B 84 12.104 -4.113 -4.709 1.00 0.00 H new ATOM 0 HG1 THR B 84 13.804 -2.469 -4.333 1.00 0.00 H new ATOM 0 HG21 THR B 84 14.252 -3.984 -5.978 1.00 0.00 H new ATOM 0 HG22 THR B 84 12.901 -4.496 -7.016 1.00 0.00 H new ATOM 0 HG23 THR B 84 13.503 -2.824 -7.100 1.00 0.00 H new ATOM 1298 N CYS B 85 8.783 -3.749 -6.489 1.00 0.00 N ATOM 1299 CA CYS B 85 7.775 -4.805 -6.456 1.00 0.00 C ATOM 1300 C CYS B 85 6.582 -4.611 -7.433 1.00 0.00 C ATOM 1301 O CYS B 85 5.986 -3.532 -7.532 1.00 0.00 O ATOM 1302 CB CYS B 85 7.366 -4.887 -4.977 1.00 0.00 C ATOM 1303 SG CYS B 85 5.843 -5.824 -4.716 1.00 0.00 S ATOM 0 H CYS B 85 8.386 -2.816 -6.597 1.00 0.00 H new ATOM 0 HA CYS B 85 8.182 -5.747 -6.825 1.00 0.00 H new ATOM 0 HB2 CYS B 85 8.172 -5.349 -4.408 1.00 0.00 H new ATOM 0 HB3 CYS B 85 7.237 -3.878 -4.585 1.00 0.00 H new ATOM 1308 N GLY B 86 6.205 -5.714 -8.101 1.00 0.00 N ATOM 1309 CA GLY B 86 5.083 -5.802 -9.045 1.00 0.00 C ATOM 1310 C GLY B 86 3.702 -5.883 -8.383 1.00 0.00 C ATOM 1311 O GLY B 86 2.708 -5.536 -9.024 1.00 0.00 O ATOM 0 H GLY B 86 6.694 -6.603 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY B 86 5.107 -4.932 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY B 86 5.222 -6.680 -9.675 1.00 0.00 H new ATOM 1315 N GLY B 87 3.622 -6.285 -7.107 1.00 0.00 N ATOM 1316 CA GLY B 87 2.399 -6.213 -6.298 1.00 0.00 C ATOM 1317 C GLY B 87 2.085 -4.765 -5.938 1.00 0.00 C ATOM 1318 O GLY B 87 1.018 -4.254 -6.283 1.00 0.00 O ATOM 0 H GLY B 87 4.417 -6.675 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.565 -6.647 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.521 -6.802 -5.389 1.00 0.00 H new ATOM 1322 N CYS B 88 3.054 -4.065 -5.340 1.00 0.00 N ATOM 1323 CA CYS B 88 2.966 -2.627 -5.062 1.00 0.00 C ATOM 1324 C CYS B 88 2.697 -1.789 -6.329 1.00 0.00 C ATOM 1325 O CYS B 88 1.856 -0.889 -6.288 1.00 0.00 O ATOM 1326 CB CYS B 88 4.246 -2.194 -4.334 1.00 0.00 C ATOM 1327 SG CYS B 88 4.104 -2.585 -2.567 1.00 0.00 S ATOM 0 H CYS B 88 3.931 -4.485 -5.032 1.00 0.00 H new ATOM 0 HA CYS B 88 2.105 -2.442 -4.420 1.00 0.00 H new ATOM 0 HB2 CYS B 88 5.110 -2.704 -4.761 1.00 0.00 H new ATOM 0 HB3 CYS B 88 4.409 -1.125 -4.468 1.00 0.00 H new ATOM 0 HG CYS B 88 3.830 -3.848 -2.423 1.00 0.00 H new ATOM 1333 N ALA B 89 3.319 -2.117 -7.468 1.00 0.00 N ATOM 1334 CA ALA B 89 3.020 -1.475 -8.754 1.00 0.00 C ATOM 1335 C ALA B 89 1.538 -1.613 -9.156 1.00 0.00 C ATOM 1336 O ALA B 89 0.911 -0.623 -9.532 1.00 0.00 O ATOM 1337 CB ALA B 89 3.951 -2.060 -9.822 1.00 0.00 C ATOM 0 H ALA B 89 4.043 -2.834 -7.524 1.00 0.00 H new ATOM 0 HA ALA B 89 3.197 -0.404 -8.658 1.00 0.00 H new ATOM 0 HB1 ALA B 89 3.741 -1.592 -10.784 1.00 0.00 H new ATOM 0 HB2 ALA B 89 4.988 -1.869 -9.545 1.00 0.00 H new ATOM 0 HB3 ALA B 89 3.788 -3.135 -9.898 1.00 0.00 H new ATOM 1343 N GLU B 90 0.949 -2.802 -9.003 1.00 0.00 N ATOM 1344 CA GLU B 90 -0.477 -3.020 -9.273 1.00 0.00 C ATOM 1345 C GLU B 90 -1.373 -2.251 -8.288 1.00 0.00 C ATOM 1346 O GLU B 90 -2.390 -1.686 -8.688 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.793 -4.526 -9.243 1.00 0.00 C ATOM 1348 CG GLU B 90 -1.848 -4.918 -10.286 1.00 0.00 C ATOM 1349 CD GLU B 90 -1.338 -4.757 -11.720 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -0.259 -5.299 -12.059 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -2.030 -4.115 -12.545 1.00 0.00 O ATOM 0 H GLU B 90 1.443 -3.638 -8.690 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.693 -2.631 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU B 90 0.121 -5.091 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -1.147 -4.802 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -2.148 -5.953 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -2.737 -4.303 -10.148 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.973 -2.146 -7.012 1.00 0.00 N ATOM 1359 CA ALA B 91 -1.647 -1.287 -6.039 1.00 0.00 C ATOM 1360 C ALA B 91 -1.592 0.196 -6.446 1.00 0.00 C ATOM 1361 O ALA B 91 -2.642 0.842 -6.460 1.00 0.00 O ATOM 1362 CB ALA B 91 -1.061 -1.535 -4.643 1.00 0.00 C ATOM 0 H ALA B 91 -0.175 -2.654 -6.631 1.00 0.00 H new ATOM 0 HA ALA B 91 -2.706 -1.546 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -1.564 -0.895 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -1.207 -2.579 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA B 91 0.005 -1.308 -4.650 1.00 0.00 H new ATOM 1368 N VAL B 92 -0.421 0.716 -6.837 1.00 0.00 N ATOM 1369 CA VAL B 92 -0.283 2.084 -7.386 1.00 0.00 C ATOM 1370 C VAL B 92 -1.219 2.271 -8.583 1.00 0.00 C ATOM 1371 O VAL B 92 -1.944 3.257 -8.646 1.00 0.00 O ATOM 1372 CB VAL B 92 1.175 2.422 -7.797 1.00 0.00 C ATOM 1373 CG1 VAL B 92 1.288 3.725 -8.612 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.082 2.573 -6.568 1.00 0.00 C ATOM 0 H VAL B 92 0.461 0.206 -6.784 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.560 2.773 -6.588 1.00 0.00 H new ATOM 0 HB VAL B 92 1.493 1.583 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL B 92 2.332 3.905 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL B 92 0.701 3.635 -9.526 1.00 0.00 H new ATOM 0 HG13 VAL B 92 0.911 4.559 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.096 2.809 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.706 3.377 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL B 92 2.089 1.640 -6.004 1.00 0.00 H new ATOM 1384 N SER B 93 -1.261 1.308 -9.503 1.00 0.00 N ATOM 1385 CA SER B 93 -2.111 1.384 -10.694 1.00 0.00 C ATOM 1386 C SER B 93 -3.618 1.396 -10.372 1.00 0.00 C ATOM 1387 O SER B 93 -4.380 2.146 -10.986 1.00 0.00 O ATOM 1388 CB SER B 93 -1.755 0.217 -11.618 1.00 0.00 C ATOM 1389 OG SER B 93 -2.245 0.451 -12.921 1.00 0.00 O ATOM 0 H SER B 93 -0.708 0.453 -9.445 1.00 0.00 H new ATOM 0 HA SER B 93 -1.916 2.336 -11.188 1.00 0.00 H new ATOM 0 HB2 SER B 93 -0.673 0.086 -11.648 1.00 0.00 H new ATOM 0 HB3 SER B 93 -2.177 -0.708 -11.225 1.00 0.00 H new ATOM 0 HG SER B 93 -2.344 1.415 -13.065 1.00 0.00 H new ATOM 1395 N ARG B 94 -4.054 0.621 -9.370 1.00 0.00 N ATOM 1396 CA ARG B 94 -5.428 0.638 -8.845 1.00 0.00 C ATOM 1397 C ARG B 94 -5.747 1.914 -8.047 1.00 0.00 C ATOM 1398 O ARG B 94 -6.865 2.421 -8.147 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.656 -0.615 -7.987 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.806 -1.892 -8.833 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.673 -3.136 -7.943 1.00 0.00 C ATOM 1402 NE ARG B 94 -5.755 -4.381 -8.723 1.00 0.00 N ATOM 1403 CZ ARG B 94 -5.027 -5.478 -8.548 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -4.201 -5.639 -7.536 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -5.138 -6.446 -9.425 1.00 0.00 N ATOM 0 H ARG B 94 -3.451 -0.048 -8.892 1.00 0.00 H new ATOM 0 HA ARG B 94 -6.110 0.636 -9.695 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.820 -0.736 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.551 -0.478 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -6.775 -1.895 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -5.046 -1.911 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.722 -3.102 -7.412 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -6.459 -3.128 -7.188 1.00 0.00 H new ATOM 0 HE ARG B 94 -6.442 -4.404 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -4.097 -4.901 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -3.664 -6.502 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -5.772 -6.346 -10.218 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -4.590 -7.299 -9.315 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.798 2.464 -7.284 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.985 3.727 -6.537 1.00 0.00 C ATOM 1421 C VAL B 95 -5.055 4.942 -7.480 1.00 0.00 C ATOM 1422 O VAL B 95 -5.901 5.810 -7.283 1.00 0.00 O ATOM 1423 CB VAL B 95 -3.902 3.899 -5.443 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -3.853 5.319 -4.855 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -4.181 2.914 -4.290 1.00 0.00 C ATOM 0 H VAL B 95 -3.874 2.051 -7.162 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.948 3.670 -6.029 1.00 0.00 H new ATOM 0 HB VAL B 95 -2.943 3.703 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -3.074 5.371 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -3.635 6.034 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -4.816 5.560 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -3.420 3.032 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -5.164 3.120 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -4.156 1.893 -4.670 1.00 0.00 H new ATOM 1435 N LEU B 96 -4.234 4.996 -8.537 1.00 0.00 N ATOM 1436 CA LEU B 96 -4.303 6.043 -9.566 1.00 0.00 C ATOM 1437 C LEU B 96 -5.597 5.957 -10.394 1.00 0.00 C ATOM 1438 O LEU B 96 -6.174 6.988 -10.739 1.00 0.00 O ATOM 1439 CB LEU B 96 -3.047 5.963 -10.458 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.740 6.446 -9.795 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.568 6.195 -10.756 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.792 7.943 -9.442 1.00 0.00 C ATOM 0 H LEU B 96 -3.498 4.310 -8.704 1.00 0.00 H new ATOM 0 HA LEU B 96 -4.327 7.015 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.913 4.930 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.220 6.555 -11.357 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.608 5.889 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.360 6.534 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.497 5.129 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.734 6.744 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.852 8.240 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.948 8.526 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.613 8.125 -8.748 1.00 0.00 H new ATOM 1454 N ASN B 97 -6.118 4.751 -10.636 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.413 4.531 -11.291 1.00 0.00 C ATOM 1456 C ASN B 97 -8.615 5.190 -10.564 1.00 0.00 C ATOM 1457 O ASN B 97 -9.646 5.419 -11.197 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.591 3.018 -11.482 1.00 0.00 C ATOM 1459 CG ASN B 97 -8.920 2.622 -12.105 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -9.744 1.972 -11.476 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -9.166 2.973 -13.349 1.00 0.00 N ATOM 0 H ASN B 97 -5.645 3.885 -10.378 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.403 5.034 -12.258 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.782 2.645 -12.110 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -7.495 2.527 -10.514 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -10.045 2.703 -13.791 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -8.478 3.515 -13.872 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.484 5.592 -9.289 1.00 0.00 N ATOM 1469 CA LYS B 98 -9.465 6.464 -8.614 1.00 0.00 C ATOM 1470 C LYS B 98 -9.651 7.816 -9.347 1.00 0.00 C ATOM 1471 O LYS B 98 -10.780 8.278 -9.511 1.00 0.00 O ATOM 1472 CB LYS B 98 -9.055 6.696 -7.153 1.00 0.00 C ATOM 1473 CG LYS B 98 -9.083 5.419 -6.291 1.00 0.00 C ATOM 1474 CD LYS B 98 -8.688 5.784 -4.858 1.00 0.00 C ATOM 1475 CE LYS B 98 -8.735 4.618 -3.856 1.00 0.00 C ATOM 1476 NZ LYS B 98 -10.114 4.193 -3.515 1.00 0.00 N ATOM 0 H LYS B 98 -7.698 5.324 -8.697 1.00 0.00 H new ATOM 0 HA LYS B 98 -10.426 5.951 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -8.050 7.117 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.722 7.437 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -10.078 4.974 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -8.395 4.676 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -7.678 6.194 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -9.350 6.575 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.193 3.769 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -8.216 4.911 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -10.077 3.405 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -10.628 4.991 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -10.605 3.884 -4.378 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.559 8.432 -9.830 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.588 9.611 -10.714 1.00 0.00 C ATOM 1492 C LEU B 99 -9.032 9.258 -12.144 1.00 0.00 C ATOM 1493 O LEU B 99 -9.793 10.007 -12.755 1.00 0.00 O ATOM 1494 CB LEU B 99 -7.199 10.285 -10.742 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.709 10.899 -9.414 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -5.297 11.469 -9.621 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.638 12.006 -8.894 1.00 0.00 C ATOM 0 H LEU B 99 -7.613 8.119 -9.613 1.00 0.00 H new ATOM 0 HA LEU B 99 -9.325 10.304 -10.307 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.467 9.546 -11.068 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -7.216 11.071 -11.497 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.705 10.107 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.941 11.906 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.623 10.669 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -5.324 12.237 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -7.244 12.401 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.697 12.808 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -8.633 11.596 -8.724 1.00 0.00 H new ATOM 1509 N GLY B 100 -8.538 8.140 -12.692 1.00 0.00 N ATOM 1510 CA GLY B 100 -8.874 7.628 -14.032 1.00 0.00 C ATOM 1511 C GLY B 100 -8.124 8.339 -15.165 1.00 0.00 C ATOM 1512 O GLY B 100 -7.498 7.684 -16.000 1.00 0.00 O ATOM 0 H GLY B 100 -7.871 7.545 -12.200 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -8.650 6.562 -14.072 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -9.947 7.734 -14.194 1.00 0.00 H new ATOM 1516 N GLY B 101 -8.123 9.676 -15.167 1.00 0.00 N ATOM 1517 CA GLY B 101 -7.407 10.527 -16.127 1.00 0.00 C ATOM 1518 C GLY B 101 -5.908 10.578 -15.840 1.00 0.00 C ATOM 1519 O GLY B 101 -5.407 11.601 -15.378 1.00 0.00 O ATOM 0 H GLY B 101 -8.640 10.217 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -7.570 10.151 -17.137 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -7.817 11.536 -16.093 1.00 0.00 H new ATOM 1523 N VAL B 102 -5.205 9.465 -16.065 1.00 0.00 N ATOM 1524 CA VAL B 102 -3.808 9.241 -15.640 1.00 0.00 C ATOM 1525 C VAL B 102 -3.054 8.292 -16.586 1.00 0.00 C ATOM 1526 O VAL B 102 -3.458 7.147 -16.789 1.00 0.00 O ATOM 1527 CB VAL B 102 -3.719 8.687 -14.190 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -3.780 9.798 -13.129 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.803 7.642 -13.865 1.00 0.00 C ATOM 0 H VAL B 102 -5.598 8.666 -16.563 1.00 0.00 H new ATOM 0 HA VAL B 102 -3.333 10.222 -15.675 1.00 0.00 H new ATOM 0 HB VAL B 102 -2.745 8.200 -14.152 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -3.714 9.356 -12.135 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -2.948 10.487 -13.276 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -4.721 10.340 -13.223 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.681 7.299 -12.838 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.789 8.092 -13.983 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.707 6.795 -14.544 1.00 0.00 H new ATOM 1539 N LYS B 103 -1.929 8.764 -17.131 1.00 0.00 N ATOM 1540 CA LYS B 103 -1.022 8.048 -18.042 1.00 0.00 C ATOM 1541 C LYS B 103 0.338 7.806 -17.365 1.00 0.00 C ATOM 1542 O LYS B 103 0.911 8.751 -16.817 1.00 0.00 O ATOM 1543 CB LYS B 103 -0.824 8.933 -19.291 1.00 0.00 C ATOM 1544 CG LYS B 103 -0.655 8.110 -20.578 1.00 0.00 C ATOM 1545 CD LYS B 103 -0.524 9.018 -21.810 1.00 0.00 C ATOM 1546 CE LYS B 103 -1.864 9.683 -22.151 1.00 0.00 C ATOM 1547 NZ LYS B 103 -1.701 10.763 -23.144 1.00 0.00 N ATOM 0 H LYS B 103 -1.605 9.712 -16.939 1.00 0.00 H new ATOM 0 HA LYS B 103 -1.446 7.080 -18.310 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -1.680 9.599 -19.400 1.00 0.00 H new ATOM 0 HB3 LYS B 103 0.054 9.564 -19.149 1.00 0.00 H new ATOM 0 HG2 LYS B 103 0.229 7.478 -20.494 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -1.511 7.446 -20.702 1.00 0.00 H new ATOM 0 HD2 LYS B 103 0.228 9.784 -21.623 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -0.178 8.433 -22.662 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -2.554 8.933 -22.539 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -2.311 10.088 -21.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -2.625 11.200 -23.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -1.049 11.482 -22.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -1.314 10.369 -24.025 1.00 0.00 H new ATOM 1561 N TYR B 104 0.884 6.583 -17.382 1.00 0.00 N ATOM 1562 CA TYR B 104 2.132 6.277 -16.653 1.00 0.00 C ATOM 1563 C TYR B 104 2.952 5.071 -17.144 1.00 0.00 C ATOM 1564 O TYR B 104 2.414 4.081 -17.640 1.00 0.00 O ATOM 1565 CB TYR B 104 1.882 6.213 -15.131 1.00 0.00 C ATOM 1566 CG TYR B 104 0.697 5.377 -14.675 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -0.582 5.967 -14.607 1.00 0.00 C ATOM 1568 CD2 TYR B 104 0.866 4.032 -14.285 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -1.694 5.208 -14.208 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -0.243 3.271 -13.860 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.533 3.853 -13.854 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.635 3.130 -13.518 1.00 0.00 O ATOM 0 H TYR B 104 0.488 5.791 -17.888 1.00 0.00 H new ATOM 0 HA TYR B 104 2.779 7.121 -16.890 1.00 0.00 H new ATOM 0 HB2 TYR B 104 2.780 5.821 -14.653 1.00 0.00 H new ATOM 0 HB3 TYR B 104 1.744 7.230 -14.764 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -0.707 7.009 -14.863 1.00 0.00 H new ATOM 0 HD2 TYR B 104 1.848 3.583 -14.312 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.673 5.663 -14.172 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -0.108 2.248 -13.540 1.00 0.00 H new ATOM 0 HH TYR B 104 -3.414 3.478 -13.999 1.00 0.00 H new ATOM 1582 N ASP B 105 4.274 5.156 -16.962 1.00 0.00 N ATOM 1583 CA ASP B 105 5.246 4.052 -17.048 1.00 0.00 C ATOM 1584 C ASP B 105 5.870 3.795 -15.663 1.00 0.00 C ATOM 1585 O ASP B 105 6.062 4.742 -14.893 1.00 0.00 O ATOM 1586 CB ASP B 105 6.379 4.417 -18.021 1.00 0.00 C ATOM 1587 CG ASP B 105 5.987 4.381 -19.497 1.00 0.00 C ATOM 1588 OD1 ASP B 105 5.689 3.278 -20.012 1.00 0.00 O ATOM 1589 OD2 ASP B 105 6.074 5.437 -20.167 1.00 0.00 O ATOM 0 H ASP B 105 4.723 6.044 -16.738 1.00 0.00 H new ATOM 0 HA ASP B 105 4.723 3.163 -17.400 1.00 0.00 H new ATOM 0 HB2 ASP B 105 6.740 5.417 -17.779 1.00 0.00 H new ATOM 0 HB3 ASP B 105 7.211 3.731 -17.863 1.00 0.00 H new ATOM 1594 N ILE B 106 6.237 2.544 -15.350 1.00 0.00 N ATOM 1595 CA ILE B 106 6.795 2.142 -14.039 1.00 0.00 C ATOM 1596 C ILE B 106 8.185 1.511 -14.222 1.00 0.00 C ATOM 1597 O ILE B 106 8.362 0.638 -15.075 1.00 0.00 O ATOM 1598 CB ILE B 106 5.829 1.175 -13.300 1.00 0.00 C ATOM 1599 CG1 ILE B 106 4.389 1.753 -13.243 1.00 0.00 C ATOM 1600 CG2 ILE B 106 6.364 0.867 -11.882 1.00 0.00 C ATOM 1601 CD1 ILE B 106 3.366 0.906 -12.473 1.00 0.00 C ATOM 0 H ILE B 106 6.156 1.767 -16.006 1.00 0.00 H new ATOM 0 HA ILE B 106 6.906 3.032 -13.420 1.00 0.00 H new ATOM 0 HB ILE B 106 5.782 0.242 -13.861 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.431 2.742 -12.788 1.00 0.00 H new ATOM 0 HG13 ILE B 106 4.029 1.887 -14.263 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.679 0.189 -11.374 1.00 0.00 H new ATOM 0 HG22 ILE B 106 7.347 0.401 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.444 1.794 -11.314 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.395 1.400 -12.495 1.00 0.00 H new ATOM 0 HD12 ILE B 106 3.284 -0.077 -12.937 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.692 0.793 -11.439 1.00 0.00 H new ATOM 1613 N ASP B 107 9.161 1.934 -13.415 1.00 0.00 N ATOM 1614 CA ASP B 107 10.513 1.361 -13.348 1.00 0.00 C ATOM 1615 C ASP B 107 10.792 0.842 -11.930 1.00 0.00 C ATOM 1616 O ASP B 107 10.769 1.615 -10.970 1.00 0.00 O ATOM 1617 CB ASP B 107 11.550 2.423 -13.747 1.00 0.00 C ATOM 1618 CG ASP B 107 12.935 1.807 -13.963 1.00 0.00 C ATOM 1619 OD1 ASP B 107 13.720 1.702 -12.998 1.00 0.00 O ATOM 1620 OD2 ASP B 107 13.239 1.418 -15.116 1.00 0.00 O ATOM 0 H ASP B 107 9.030 2.711 -12.767 1.00 0.00 H new ATOM 0 HA ASP B 107 10.584 0.525 -14.044 1.00 0.00 H new ATOM 0 HB2 ASP B 107 11.227 2.922 -14.661 1.00 0.00 H new ATOM 0 HB3 ASP B 107 11.608 3.186 -12.970 1.00 0.00 H new ATOM 1625 N LEU B 108 11.039 -0.467 -11.790 1.00 0.00 N ATOM 1626 CA LEU B 108 11.214 -1.110 -10.481 1.00 0.00 C ATOM 1627 C LEU B 108 12.638 -0.991 -9.897 1.00 0.00 C ATOM 1628 O LEU B 108 12.720 -0.818 -8.682 1.00 0.00 O ATOM 1629 CB LEU B 108 10.722 -2.577 -10.511 1.00 0.00 C ATOM 1630 CG LEU B 108 9.197 -2.817 -10.622 1.00 0.00 C ATOM 1631 CD1 LEU B 108 8.382 -1.957 -9.643 1.00 0.00 C ATOM 1632 CD2 LEU B 108 8.652 -2.627 -12.046 1.00 0.00 C ATOM 0 H LEU B 108 11.123 -1.109 -12.579 1.00 0.00 H new ATOM 0 HA LEU B 108 10.585 -0.548 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU B 108 11.203 -3.076 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU B 108 11.075 -3.069 -9.604 1.00 0.00 H new ATOM 0 HG LEU B 108 9.072 -3.865 -10.349 1.00 0.00 H new ATOM 0 HD11 LEU B 108 7.320 -2.170 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU B 108 8.680 -2.188 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.567 -0.902 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU B 108 7.578 -2.811 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.848 -1.607 -12.377 1.00 0.00 H new ATOM 0 HD23 LEU B 108 9.144 -3.328 -12.720 1.00 0.00 H new ATOM 1644 N PRO B 109 13.743 -1.040 -10.674 1.00 0.00 N ATOM 1645 CA PRO B 109 15.083 -0.798 -10.137 1.00 0.00 C ATOM 1646 C PRO B 109 15.266 0.625 -9.581 1.00 0.00 C ATOM 1647 O PRO B 109 15.746 0.784 -8.458 1.00 0.00 O ATOM 1648 CB PRO B 109 16.057 -1.097 -11.283 1.00 0.00 C ATOM 1649 CG PRO B 109 15.276 -2.043 -12.189 1.00 0.00 C ATOM 1650 CD PRO B 109 13.836 -1.565 -12.030 1.00 0.00 C ATOM 0 HA PRO B 109 15.267 -1.442 -9.277 1.00 0.00 H new ATOM 0 HB2 PRO B 109 16.346 -0.187 -11.809 1.00 0.00 H new ATOM 0 HB3 PRO B 109 16.974 -1.559 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO B 109 15.610 -1.977 -13.224 1.00 0.00 H new ATOM 0 HG3 PRO B 109 15.392 -3.082 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO B 109 13.595 -0.797 -12.765 1.00 0.00 H new ATOM 0 HD3 PRO B 109 13.133 -2.384 -12.182 1.00 0.00 H new ATOM 1658 N ASN B 110 14.863 1.657 -10.339 1.00 0.00 N ATOM 1659 CA ASN B 110 14.974 3.071 -9.940 1.00 0.00 C ATOM 1660 C ASN B 110 13.822 3.534 -9.024 1.00 0.00 C ATOM 1661 O ASN B 110 13.935 4.555 -8.344 1.00 0.00 O ATOM 1662 CB ASN B 110 15.032 3.944 -11.204 1.00 0.00 C ATOM 1663 CG ASN B 110 15.757 5.255 -10.955 1.00 0.00 C ATOM 1664 OD1 ASN B 110 15.147 6.298 -10.770 1.00 0.00 O ATOM 1665 ND2 ASN B 110 17.076 5.233 -10.938 1.00 0.00 N ATOM 0 H ASN B 110 14.444 1.532 -11.261 1.00 0.00 H new ATOM 0 HA ASN B 110 15.889 3.178 -9.357 1.00 0.00 H new ATOM 0 HB2 ASN B 110 15.536 3.396 -12.000 1.00 0.00 H new ATOM 0 HB3 ASN B 110 14.019 4.150 -11.550 1.00 0.00 H new ATOM 0 HD21 ASN B 110 17.598 6.093 -10.769 1.00 0.00 H new ATOM 0 HD22 ASN B 110 17.573 4.356 -11.094 1.00 0.00 H new ATOM 1672 N LYS B 111 12.718 2.773 -9.006 1.00 0.00 N ATOM 1673 CA LYS B 111 11.564 2.889 -8.092 1.00 0.00 C ATOM 1674 C LYS B 111 10.676 4.098 -8.449 1.00 0.00 C ATOM 1675 O LYS B 111 10.098 4.769 -7.584 1.00 0.00 O ATOM 1676 CB LYS B 111 11.994 2.820 -6.608 1.00 0.00 C ATOM 1677 CG LYS B 111 13.120 1.801 -6.384 1.00 0.00 C ATOM 1678 CD LYS B 111 13.257 1.288 -4.954 1.00 0.00 C ATOM 1679 CE LYS B 111 14.621 0.597 -4.785 1.00 0.00 C ATOM 1680 NZ LYS B 111 14.854 -0.470 -5.793 1.00 0.00 N ATOM 0 H LYS B 111 12.596 2.010 -9.671 1.00 0.00 H new ATOM 0 HA LYS B 111 10.926 2.017 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.326 3.805 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.135 2.552 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.954 0.950 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS B 111 14.065 2.256 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.167 2.115 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.452 0.588 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS B 111 15.413 1.342 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS B 111 14.684 0.167 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 15.779 -0.913 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 14.107 -1.189 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 14.839 -0.056 -6.747 1.00 0.00 H new ATOM 1694 N LYS B 112 10.620 4.402 -9.751 1.00 0.00 N ATOM 1695 CA LYS B 112 10.089 5.623 -10.340 1.00 0.00 C ATOM 1696 C LYS B 112 8.793 5.371 -11.130 1.00 0.00 C ATOM 1697 O LYS B 112 8.711 4.423 -11.919 1.00 0.00 O ATOM 1698 CB LYS B 112 11.203 6.167 -11.246 1.00 0.00 C ATOM 1699 CG LYS B 112 10.834 7.513 -11.873 1.00 0.00 C ATOM 1700 CD LYS B 112 11.936 8.019 -12.803 1.00 0.00 C ATOM 1701 CE LYS B 112 13.155 8.505 -12.016 1.00 0.00 C ATOM 1702 NZ LYS B 112 14.233 8.937 -12.927 1.00 0.00 N ATOM 0 H LYS B 112 10.968 3.757 -10.460 1.00 0.00 H new ATOM 0 HA LYS B 112 9.815 6.340 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS B 112 12.119 6.278 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.411 5.445 -12.036 1.00 0.00 H new ATOM 0 HG2 LYS B 112 9.903 7.412 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS B 112 10.656 8.246 -11.086 1.00 0.00 H new ATOM 0 HD2 LYS B 112 12.235 7.221 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS B 112 11.550 8.833 -13.417 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.868 9.333 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS B 112 13.518 7.706 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 15.055 9.246 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 14.509 8.143 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 13.896 9.727 -13.514 1.00 0.00 H new ATOM 1716 N VAL B 113 7.816 6.266 -10.987 1.00 0.00 N ATOM 1717 CA VAL B 113 6.617 6.346 -11.834 1.00 0.00 C ATOM 1718 C VAL B 113 6.625 7.674 -12.596 1.00 0.00 C ATOM 1719 O VAL B 113 6.845 8.735 -12.013 1.00 0.00 O ATOM 1720 CB VAL B 113 5.300 6.142 -11.046 1.00 0.00 C ATOM 1721 CG1 VAL B 113 5.280 4.738 -10.421 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.034 7.187 -9.949 1.00 0.00 C ATOM 0 H VAL B 113 7.834 6.979 -10.258 1.00 0.00 H new ATOM 0 HA VAL B 113 6.653 5.521 -12.545 1.00 0.00 H new ATOM 0 HB VAL B 113 4.503 6.265 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL B 113 4.351 4.599 -9.868 1.00 0.00 H new ATOM 0 HG12 VAL B 113 5.348 3.988 -11.209 1.00 0.00 H new ATOM 0 HG13 VAL B 113 6.126 4.630 -9.743 1.00 0.00 H new ATOM 0 HG21 VAL B 113 4.090 6.961 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.843 7.162 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL B 113 4.980 8.179 -10.397 1.00 0.00 H new ATOM 1732 N CYS B 114 6.431 7.604 -13.914 1.00 0.00 N ATOM 1733 CA CYS B 114 6.523 8.755 -14.816 1.00 0.00 C ATOM 1734 C CYS B 114 5.133 9.102 -15.358 1.00 0.00 C ATOM 1735 O CYS B 114 4.637 8.423 -16.257 1.00 0.00 O ATOM 1736 CB CYS B 114 7.525 8.418 -15.928 1.00 0.00 C ATOM 1737 SG CYS B 114 9.190 8.389 -15.208 1.00 0.00 S ATOM 0 H CYS B 114 6.202 6.733 -14.393 1.00 0.00 H new ATOM 0 HA CYS B 114 6.883 9.639 -14.290 1.00 0.00 H new ATOM 0 HB2 CYS B 114 7.287 7.452 -16.373 1.00 0.00 H new ATOM 0 HB3 CYS B 114 7.470 9.159 -16.726 1.00 0.00 H new ATOM 0 HG CYS B 114 10.058 8.103 -16.133 1.00 0.00 H new ATOM 1743 N ILE B 115 4.495 10.138 -14.813 1.00 0.00 N ATOM 1744 CA ILE B 115 3.066 10.448 -15.029 1.00 0.00 C ATOM 1745 C ILE B 115 2.891 11.571 -16.048 1.00 0.00 C ATOM 1746 O ILE B 115 3.673 12.522 -16.048 1.00 0.00 O ATOM 1747 CB ILE B 115 2.357 10.795 -13.688 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.473 9.607 -12.698 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.876 11.194 -13.912 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.851 9.836 -11.314 1.00 0.00 C ATOM 0 H ILE B 115 4.959 10.804 -14.195 1.00 0.00 H new ATOM 0 HA ILE B 115 2.593 9.554 -15.435 1.00 0.00 H new ATOM 0 HB ILE B 115 2.859 11.659 -13.253 1.00 0.00 H new ATOM 0 HG12 ILE B 115 2.001 8.734 -13.149 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.528 9.367 -12.567 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.414 11.429 -12.953 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.829 12.068 -14.562 1.00 0.00 H new ATOM 0 HG23 ILE B 115 0.343 10.366 -14.378 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.988 8.945 -10.702 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.337 10.685 -10.833 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.786 10.041 -11.423 1.00 0.00 H new ATOM 1762 N GLU B 116 1.829 11.505 -16.852 1.00 0.00 N ATOM 1763 CA GLU B 116 1.112 12.712 -17.258 1.00 0.00 C ATOM 1764 C GLU B 116 -0.406 12.521 -17.142 1.00 0.00 C ATOM 1765 O GLU B 116 -0.927 11.427 -17.330 1.00 0.00 O ATOM 1766 CB GLU B 116 1.623 13.273 -18.593 1.00 0.00 C ATOM 1767 CG GLU B 116 1.253 12.537 -19.885 1.00 0.00 C ATOM 1768 CD GLU B 116 -0.037 13.031 -20.546 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -0.831 13.771 -19.926 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -0.251 12.710 -21.740 1.00 0.00 O ATOM 0 H GLU B 116 1.450 10.637 -17.231 1.00 0.00 H new ATOM 0 HA GLU B 116 1.339 13.512 -16.553 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.264 14.298 -18.681 1.00 0.00 H new ATOM 0 HB3 GLU B 116 2.711 13.320 -18.538 1.00 0.00 H new ATOM 0 HG2 GLU B 116 2.073 12.640 -20.595 1.00 0.00 H new ATOM 0 HG3 GLU B 116 1.151 11.474 -19.667 1.00 0.00 H new ATOM 1777 N SER B 117 -1.106 13.568 -16.719 1.00 0.00 N ATOM 1778 CA SER B 117 -2.508 13.546 -16.298 1.00 0.00 C ATOM 1779 C SER B 117 -3.195 14.908 -16.510 1.00 0.00 C ATOM 1780 O SER B 117 -2.556 15.960 -16.439 1.00 0.00 O ATOM 1781 CB SER B 117 -2.535 13.197 -14.802 1.00 0.00 C ATOM 1782 OG SER B 117 -3.819 13.337 -14.225 1.00 0.00 O ATOM 0 H SER B 117 -0.695 14.500 -16.656 1.00 0.00 H new ATOM 0 HA SER B 117 -3.047 12.812 -16.897 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.192 12.171 -14.668 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.832 13.840 -14.272 1.00 0.00 H new ATOM 0 HG SER B 117 -4.454 12.756 -14.694 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.514 14.916 -16.708 1.00 0.00 N ATOM 1789 CA GLU B 118 -5.339 16.134 -16.720 1.00 0.00 C ATOM 1790 C GLU B 118 -5.468 16.837 -15.347 1.00 0.00 C ATOM 1791 O GLU B 118 -6.093 17.897 -15.249 1.00 0.00 O ATOM 1792 CB GLU B 118 -6.729 15.799 -17.306 1.00 0.00 C ATOM 1793 CG GLU B 118 -7.524 14.770 -16.479 1.00 0.00 C ATOM 1794 CD GLU B 118 -8.937 14.574 -17.026 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -9.838 15.374 -16.687 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -9.197 13.610 -17.784 1.00 0.00 O ATOM 0 H GLU B 118 -5.052 14.064 -16.868 1.00 0.00 H new ATOM 0 HA GLU B 118 -4.822 16.857 -17.351 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -7.311 16.717 -17.382 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -6.603 15.417 -18.319 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.997 13.816 -16.482 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.578 15.101 -15.442 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.899 16.268 -14.281 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.909 16.813 -12.919 1.00 0.00 C ATOM 1805 C HIS B 119 -3.597 17.532 -12.531 1.00 0.00 C ATOM 1806 O HIS B 119 -2.539 17.333 -13.134 1.00 0.00 O ATOM 1807 CB HIS B 119 -5.189 15.670 -11.931 1.00 0.00 C ATOM 1808 CG HIS B 119 -6.531 15.006 -12.109 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.756 15.540 -11.784 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.757 13.736 -12.571 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -8.691 14.611 -12.037 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -8.133 13.493 -12.528 1.00 0.00 N ATOM 0 H HIS B 119 -4.399 15.381 -14.344 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.693 17.570 -12.879 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -4.408 14.917 -12.035 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -5.122 16.060 -10.915 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -6.002 13.042 -12.910 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.749 14.745 -11.868 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -8.615 12.640 -12.812 1.00 0.00 H new ATOM 1820 N SER B 120 -3.642 18.347 -11.475 1.00 0.00 N ATOM 1821 CA SER B 120 -2.477 19.057 -10.939 1.00 0.00 C ATOM 1822 C SER B 120 -1.497 18.154 -10.172 1.00 0.00 C ATOM 1823 O SER B 120 -1.860 17.100 -9.644 1.00 0.00 O ATOM 1824 CB SER B 120 -2.921 20.201 -10.015 1.00 0.00 C ATOM 1825 OG SER B 120 -3.780 21.111 -10.679 1.00 0.00 O ATOM 0 H SER B 120 -4.502 18.536 -10.960 1.00 0.00 H new ATOM 0 HA SER B 120 -1.948 19.444 -11.810 1.00 0.00 H new ATOM 0 HB2 SER B 120 -3.432 19.788 -9.145 1.00 0.00 H new ATOM 0 HB3 SER B 120 -2.043 20.732 -9.647 1.00 0.00 H new ATOM 0 HG SER B 120 -4.043 21.824 -10.060 1.00 0.00 H new ATOM 1831 N MET B 121 -0.245 18.604 -10.044 1.00 0.00 N ATOM 1832 CA MET B 121 0.827 17.878 -9.359 1.00 0.00 C ATOM 1833 C MET B 121 0.501 17.571 -7.887 1.00 0.00 C ATOM 1834 O MET B 121 0.803 16.483 -7.402 1.00 0.00 O ATOM 1835 CB MET B 121 2.109 18.711 -9.496 1.00 0.00 C ATOM 1836 CG MET B 121 3.343 17.841 -9.285 1.00 0.00 C ATOM 1837 SD MET B 121 4.898 18.758 -9.328 1.00 0.00 S ATOM 1838 CE MET B 121 4.939 19.390 -7.633 1.00 0.00 C ATOM 0 H MET B 121 0.057 19.502 -10.422 1.00 0.00 H new ATOM 0 HA MET B 121 0.953 16.901 -9.825 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.146 19.170 -10.484 1.00 0.00 H new ATOM 0 HB3 MET B 121 2.101 19.522 -8.768 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.258 17.333 -8.324 1.00 0.00 H new ATOM 0 HG3 MET B 121 3.367 17.068 -10.053 1.00 0.00 H new ATOM 0 HE1 MET B 121 5.842 19.983 -7.488 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.063 20.013 -7.456 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.937 18.554 -6.933 1.00 0.00 H new ATOM 1848 N ASP B 122 -0.170 18.492 -7.190 1.00 0.00 N ATOM 1849 CA ASP B 122 -0.609 18.311 -5.801 1.00 0.00 C ATOM 1850 C ASP B 122 -1.751 17.290 -5.648 1.00 0.00 C ATOM 1851 O ASP B 122 -1.857 16.618 -4.620 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.999 19.676 -5.219 1.00 0.00 C ATOM 1853 CG ASP B 122 -2.306 20.260 -5.763 1.00 0.00 C ATOM 1854 OD1 ASP B 122 -2.277 20.904 -6.838 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -3.344 20.091 -5.078 1.00 0.00 O ATOM 0 H ASP B 122 -0.428 19.399 -7.580 1.00 0.00 H new ATOM 0 HA ASP B 122 0.227 17.892 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP B 122 -1.083 19.582 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.193 20.382 -5.416 1.00 0.00 H new ATOM 1860 N THR B 123 -2.588 17.162 -6.682 1.00 0.00 N ATOM 1861 CA THR B 123 -3.652 16.148 -6.802 1.00 0.00 C ATOM 1862 C THR B 123 -3.040 14.759 -6.958 1.00 0.00 C ATOM 1863 O THR B 123 -3.476 13.811 -6.298 1.00 0.00 O ATOM 1864 CB THR B 123 -4.560 16.452 -8.004 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.881 17.823 -8.017 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.867 15.661 -7.943 1.00 0.00 C ATOM 0 H THR B 123 -2.546 17.782 -7.491 1.00 0.00 H new ATOM 0 HA THR B 123 -4.254 16.176 -5.893 1.00 0.00 H new ATOM 0 HB THR B 123 -4.015 16.166 -8.904 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.459 18.016 -8.785 1.00 0.00 H new ATOM 0 HG21 THR B 123 -6.480 15.904 -8.810 1.00 0.00 H new ATOM 0 HG22 THR B 123 -5.647 14.594 -7.942 1.00 0.00 H new ATOM 0 HG23 THR B 123 -6.407 15.920 -7.032 1.00 0.00 H new ATOM 1874 N LEU B 124 -2.002 14.645 -7.794 1.00 0.00 N ATOM 1875 CA LEU B 124 -1.230 13.414 -7.979 1.00 0.00 C ATOM 1876 C LEU B 124 -0.527 13.002 -6.679 1.00 0.00 C ATOM 1877 O LEU B 124 -0.703 11.865 -6.251 1.00 0.00 O ATOM 1878 CB LEU B 124 -0.224 13.585 -9.136 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.854 13.784 -10.531 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.261 14.070 -11.549 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.665 12.556 -10.974 1.00 0.00 C ATOM 0 H LEU B 124 -1.670 15.419 -8.370 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.917 12.610 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.414 14.441 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.421 12.707 -9.168 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.543 14.627 -10.478 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.176 14.212 -12.537 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.798 14.973 -11.257 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.954 13.229 -11.576 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.091 12.738 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.012 11.684 -11.016 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.468 12.373 -10.260 1.00 0.00 H new ATOM 1893 N LEU B 125 0.206 13.912 -6.023 1.00 0.00 N ATOM 1894 CA LEU B 125 0.901 13.639 -4.755 1.00 0.00 C ATOM 1895 C LEU B 125 -0.057 13.176 -3.647 1.00 0.00 C ATOM 1896 O LEU B 125 0.197 12.147 -3.021 1.00 0.00 O ATOM 1897 CB LEU B 125 1.691 14.891 -4.322 1.00 0.00 C ATOM 1898 CG LEU B 125 2.986 15.132 -5.127 1.00 0.00 C ATOM 1899 CD1 LEU B 125 3.528 16.537 -4.830 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.067 14.089 -4.793 1.00 0.00 C ATOM 0 H LEU B 125 0.335 14.866 -6.359 1.00 0.00 H new ATOM 0 HA LEU B 125 1.593 12.814 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.047 15.765 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU B 125 1.945 14.799 -3.266 1.00 0.00 H new ATOM 0 HG LEU B 125 2.740 15.040 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU B 125 4.442 16.702 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU B 125 2.784 17.281 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU B 125 3.744 16.626 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU B 125 4.963 14.293 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU B 125 4.309 14.143 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.696 13.092 -5.031 1.00 0.00 H new ATOM 1912 N ALA B 126 -1.177 13.877 -3.434 1.00 0.00 N ATOM 1913 CA ALA B 126 -2.178 13.496 -2.432 1.00 0.00 C ATOM 1914 C ALA B 126 -2.798 12.111 -2.700 1.00 0.00 C ATOM 1915 O ALA B 126 -3.069 11.370 -1.750 1.00 0.00 O ATOM 1916 CB ALA B 126 -3.246 14.595 -2.376 1.00 0.00 C ATOM 0 H ALA B 126 -1.414 14.724 -3.951 1.00 0.00 H new ATOM 0 HA ALA B 126 -1.687 13.404 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -4.001 14.331 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -2.781 15.541 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -3.716 14.696 -3.354 1.00 0.00 H new ATOM 1922 N THR B 127 -2.988 11.751 -3.979 1.00 0.00 N ATOM 1923 CA THR B 127 -3.487 10.433 -4.409 1.00 0.00 C ATOM 1924 C THR B 127 -2.440 9.341 -4.186 1.00 0.00 C ATOM 1925 O THR B 127 -2.762 8.320 -3.587 1.00 0.00 O ATOM 1926 CB THR B 127 -3.954 10.479 -5.870 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.937 11.483 -5.998 1.00 0.00 O ATOM 1928 CG2 THR B 127 -4.591 9.159 -6.313 1.00 0.00 C ATOM 0 H THR B 127 -2.796 12.379 -4.759 1.00 0.00 H new ATOM 0 HA THR B 127 -4.349 10.181 -3.792 1.00 0.00 H new ATOM 0 HB THR B 127 -3.079 10.674 -6.489 1.00 0.00 H new ATOM 0 HG1 THR B 127 -4.502 12.354 -6.108 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.906 9.238 -7.353 1.00 0.00 H new ATOM 0 HG22 THR B 127 -3.864 8.353 -6.215 1.00 0.00 H new ATOM 0 HG23 THR B 127 -5.457 8.945 -5.687 1.00 0.00 H new ATOM 1936 N LEU B 128 -1.194 9.551 -4.626 1.00 0.00 N ATOM 1937 CA LEU B 128 -0.090 8.583 -4.506 1.00 0.00 C ATOM 1938 C LEU B 128 0.191 8.198 -3.047 1.00 0.00 C ATOM 1939 O LEU B 128 0.385 7.012 -2.757 1.00 0.00 O ATOM 1940 CB LEU B 128 1.176 9.177 -5.159 1.00 0.00 C ATOM 1941 CG LEU B 128 1.169 9.167 -6.702 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.270 10.094 -7.242 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.386 7.747 -7.253 1.00 0.00 C ATOM 0 H LEU B 128 -0.916 10.418 -5.086 1.00 0.00 H new ATOM 0 HA LEU B 128 -0.384 7.669 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU B 128 1.298 10.205 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.045 8.619 -4.809 1.00 0.00 H new ATOM 0 HG LEU B 128 0.192 9.522 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.256 10.079 -8.332 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.094 11.111 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.242 9.750 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.376 7.774 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.347 7.366 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU B 128 0.589 7.094 -6.899 1.00 0.00 H new ATOM 1955 N LYS B 129 0.156 9.173 -2.130 1.00 0.00 N ATOM 1956 CA LYS B 129 0.365 8.976 -0.687 1.00 0.00 C ATOM 1957 C LYS B 129 -0.534 7.887 -0.070 1.00 0.00 C ATOM 1958 O LYS B 129 -0.093 7.200 0.852 1.00 0.00 O ATOM 1959 CB LYS B 129 0.174 10.325 0.035 1.00 0.00 C ATOM 1960 CG LYS B 129 1.439 11.194 -0.034 1.00 0.00 C ATOM 1961 CD LYS B 129 1.220 12.594 0.555 1.00 0.00 C ATOM 1962 CE LYS B 129 2.568 13.322 0.655 1.00 0.00 C ATOM 1963 NZ LYS B 129 2.414 14.723 1.112 1.00 0.00 N ATOM 0 H LYS B 129 -0.023 10.147 -2.376 1.00 0.00 H new ATOM 0 HA LYS B 129 1.384 8.613 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -0.661 10.863 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -0.087 10.145 1.078 1.00 0.00 H new ATOM 0 HG2 LYS B 129 2.247 10.698 0.505 1.00 0.00 H new ATOM 0 HG3 LYS B 129 1.757 11.285 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS B 129 0.533 13.162 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS B 129 0.761 12.518 1.541 1.00 0.00 H new ATOM 0 HE2 LYS B 129 3.218 12.786 1.346 1.00 0.00 H new ATOM 0 HE3 LYS B 129 3.058 13.311 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 3.349 15.176 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 1.815 15.243 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 1.970 14.735 2.052 1.00 0.00 H new ATOM 1977 N LYS B 130 -1.745 7.651 -0.595 1.00 0.00 N ATOM 1978 CA LYS B 130 -2.671 6.609 -0.109 1.00 0.00 C ATOM 1979 C LYS B 130 -2.027 5.209 -0.044 1.00 0.00 C ATOM 1980 O LYS B 130 -2.156 4.515 0.962 1.00 0.00 O ATOM 1981 CB LYS B 130 -3.905 6.571 -1.029 1.00 0.00 C ATOM 1982 CG LYS B 130 -4.772 7.840 -0.956 1.00 0.00 C ATOM 1983 CD LYS B 130 -5.947 7.784 -1.951 1.00 0.00 C ATOM 1984 CE LYS B 130 -7.306 8.064 -1.295 1.00 0.00 C ATOM 1985 NZ LYS B 130 -7.413 9.424 -0.714 1.00 0.00 N ATOM 0 H LYS B 130 -2.117 8.184 -1.381 1.00 0.00 H new ATOM 0 HA LYS B 130 -2.952 6.870 0.911 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -3.575 6.426 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -4.517 5.708 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -5.158 7.960 0.056 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -4.157 8.714 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -5.777 8.511 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -5.972 6.800 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -8.093 7.932 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -7.481 7.328 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -8.354 9.547 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -6.683 9.548 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -7.277 10.133 -1.463 1.00 0.00 H new ATOM 1999 N THR B 131 -1.271 4.842 -1.090 1.00 0.00 N ATOM 2000 CA THR B 131 -0.717 3.502 -1.400 1.00 0.00 C ATOM 2001 C THR B 131 0.273 2.918 -0.378 1.00 0.00 C ATOM 2002 O THR B 131 0.848 1.855 -0.624 1.00 0.00 O ATOM 2003 CB THR B 131 -0.055 3.509 -2.796 1.00 0.00 C ATOM 2004 OG1 THR B 131 -0.555 4.540 -3.621 1.00 0.00 O ATOM 2005 CG2 THR B 131 -0.300 2.191 -3.534 1.00 0.00 C ATOM 0 H THR B 131 -1.007 5.524 -1.801 1.00 0.00 H new ATOM 0 HA THR B 131 -1.586 2.845 -1.363 1.00 0.00 H new ATOM 0 HB THR B 131 1.008 3.662 -2.612 1.00 0.00 H new ATOM 0 HG1 THR B 131 -0.097 5.380 -3.409 1.00 0.00 H new ATOM 0 HG21 THR B 131 0.178 2.228 -4.513 1.00 0.00 H new ATOM 0 HG22 THR B 131 0.119 1.367 -2.956 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.372 2.038 -3.660 1.00 0.00 H new ATOM 2013 N GLY B 132 0.562 3.611 0.725 1.00 0.00 N ATOM 2014 CA GLY B 132 1.504 3.141 1.745 1.00 0.00 C ATOM 2015 C GLY B 132 2.958 3.298 1.307 1.00 0.00 C ATOM 2016 O GLY B 132 3.764 2.401 1.556 1.00 0.00 O ATOM 0 H GLY B 132 0.148 4.518 0.938 1.00 0.00 H new ATOM 0 HA2 GLY B 132 1.343 3.697 2.669 1.00 0.00 H new ATOM 0 HA3 GLY B 132 1.304 2.092 1.965 1.00 0.00 H new ATOM 2020 N LYS B 133 3.288 4.389 0.606 1.00 0.00 N ATOM 2021 CA LYS B 133 4.665 4.770 0.262 1.00 0.00 C ATOM 2022 C LYS B 133 4.953 6.242 0.583 1.00 0.00 C ATOM 2023 O LYS B 133 4.128 7.126 0.351 1.00 0.00 O ATOM 2024 CB LYS B 133 5.013 4.461 -1.211 1.00 0.00 C ATOM 2025 CG LYS B 133 5.137 2.955 -1.509 1.00 0.00 C ATOM 2026 CD LYS B 133 3.866 2.371 -2.145 1.00 0.00 C ATOM 2027 CE LYS B 133 3.792 0.852 -1.952 1.00 0.00 C ATOM 2028 NZ LYS B 133 3.385 0.510 -0.571 1.00 0.00 N ATOM 0 H LYS B 133 2.592 5.046 0.254 1.00 0.00 H new ATOM 0 HA LYS B 133 5.310 4.155 0.890 1.00 0.00 H new ATOM 0 HB2 LYS B 133 4.245 4.889 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS B 133 5.952 4.952 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS B 133 5.982 2.789 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS B 133 5.353 2.422 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS B 133 2.987 2.839 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS B 133 3.849 2.605 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS B 133 3.081 0.427 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS B 133 4.763 0.407 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 3.721 -0.446 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 3.799 1.195 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 2.348 0.540 -0.497 1.00 0.00 H new ATOM 2042 N THR B 134 6.176 6.466 1.062 1.00 0.00 N ATOM 2043 CA THR B 134 6.842 7.750 1.249 1.00 0.00 C ATOM 2044 C THR B 134 7.235 8.209 -0.147 1.00 0.00 C ATOM 2045 O THR B 134 8.163 7.648 -0.727 1.00 0.00 O ATOM 2046 CB THR B 134 8.061 7.541 2.159 1.00 0.00 C ATOM 2047 OG1 THR B 134 7.620 6.980 3.381 1.00 0.00 O ATOM 2048 CG2 THR B 134 8.767 8.858 2.474 1.00 0.00 C ATOM 0 H THR B 134 6.772 5.691 1.352 1.00 0.00 H new ATOM 0 HA THR B 134 6.215 8.503 1.726 1.00 0.00 H new ATOM 0 HB THR B 134 8.761 6.886 1.640 1.00 0.00 H new ATOM 0 HG1 THR B 134 8.389 6.839 3.972 1.00 0.00 H new ATOM 0 HG21 THR B 134 9.624 8.666 3.120 1.00 0.00 H new ATOM 0 HG22 THR B 134 9.108 9.319 1.547 1.00 0.00 H new ATOM 0 HG23 THR B 134 8.074 9.530 2.980 1.00 0.00 H new ATOM 2056 N VAL B 135 6.472 9.140 -0.709 1.00 0.00 N ATOM 2057 CA VAL B 135 6.561 9.539 -2.130 1.00 0.00 C ATOM 2058 C VAL B 135 7.187 10.927 -2.291 1.00 0.00 C ATOM 2059 O VAL B 135 6.821 11.862 -1.580 1.00 0.00 O ATOM 2060 CB VAL B 135 5.185 9.447 -2.837 1.00 0.00 C ATOM 2061 CG1 VAL B 135 4.085 10.310 -2.200 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.277 9.783 -4.336 1.00 0.00 C ATOM 0 H VAL B 135 5.759 9.654 -0.191 1.00 0.00 H new ATOM 0 HA VAL B 135 7.225 8.828 -2.622 1.00 0.00 H new ATOM 0 HB VAL B 135 4.897 8.404 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL B 135 3.156 10.186 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL B 135 3.932 10.000 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL B 135 4.385 11.358 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.288 9.705 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL B 135 5.653 10.799 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL B 135 5.955 9.084 -4.825 1.00 0.00 H new ATOM 2072 N SER B 136 8.098 11.073 -3.259 1.00 0.00 N ATOM 2073 CA SER B 136 8.741 12.357 -3.586 1.00 0.00 C ATOM 2074 C SER B 136 8.849 12.611 -5.102 1.00 0.00 C ATOM 2075 O SER B 136 9.148 11.719 -5.899 1.00 0.00 O ATOM 2076 CB SER B 136 10.129 12.466 -2.932 1.00 0.00 C ATOM 2077 OG SER B 136 10.037 12.754 -1.542 1.00 0.00 O ATOM 0 H SER B 136 8.414 10.300 -3.844 1.00 0.00 H new ATOM 0 HA SER B 136 8.090 13.130 -3.177 1.00 0.00 H new ATOM 0 HB2 SER B 136 10.672 11.532 -3.074 1.00 0.00 H new ATOM 0 HB3 SER B 136 10.704 13.248 -3.428 1.00 0.00 H new ATOM 0 HG SER B 136 10.938 12.814 -1.160 1.00 0.00 H new ATOM 2083 N TYR B 137 8.627 13.869 -5.493 1.00 0.00 N ATOM 2084 CA TYR B 137 8.788 14.394 -6.855 1.00 0.00 C ATOM 2085 C TYR B 137 10.269 14.638 -7.214 1.00 0.00 C ATOM 2086 O TYR B 137 11.036 15.108 -6.363 1.00 0.00 O ATOM 2087 CB TYR B 137 7.966 15.691 -6.908 1.00 0.00 C ATOM 2088 CG TYR B 137 8.024 16.487 -8.194 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.656 15.893 -9.416 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.388 17.846 -8.160 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.649 16.655 -10.596 1.00 0.00 C ATOM 2092 CE2 TYR B 137 8.357 18.618 -9.334 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.975 18.027 -10.558 1.00 0.00 C ATOM 2094 OH TYR B 137 7.874 18.780 -11.686 1.00 0.00 O ATOM 0 H TYR B 137 8.315 14.585 -4.837 1.00 0.00 H new ATOM 0 HA TYR B 137 8.436 13.673 -7.593 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.924 15.440 -6.711 1.00 0.00 H new ATOM 0 HB3 TYR B 137 8.298 16.336 -6.095 1.00 0.00 H new ATOM 0 HD1 TYR B 137 7.379 14.850 -9.446 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.693 18.298 -7.227 1.00 0.00 H new ATOM 0 HE1 TYR B 137 7.393 16.189 -11.536 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.625 19.664 -9.300 1.00 0.00 H new ATOM 0 HH TYR B 137 7.073 18.516 -12.185 1.00 0.00 H new ATOM 2104 N LEU B 138 10.678 14.334 -8.457 1.00 0.00 N ATOM 2105 CA LEU B 138 12.055 14.520 -8.947 1.00 0.00 C ATOM 2106 C LEU B 138 12.169 14.636 -10.485 1.00 0.00 C ATOM 2107 O LEU B 138 13.003 13.968 -11.111 1.00 0.00 O ATOM 2108 CB LEU B 138 12.994 13.458 -8.311 1.00 0.00 C ATOM 2109 CG LEU B 138 12.519 11.988 -8.246 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.142 11.385 -9.604 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.634 11.150 -7.604 1.00 0.00 C ATOM 0 H LEU B 138 10.051 13.946 -9.162 1.00 0.00 H new ATOM 0 HA LEU B 138 12.397 15.499 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU B 138 13.935 13.477 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU B 138 13.214 13.779 -7.293 1.00 0.00 H new ATOM 0 HG LEU B 138 11.604 11.975 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU B 138 11.820 10.353 -9.467 1.00 0.00 H new ATOM 0 HD12 LEU B 138 11.330 11.962 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.007 11.411 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.320 10.108 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.538 11.224 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.837 11.522 -6.600 1.00 0.00 H new ATOM 2123 N GLY B 139 11.411 15.555 -11.101 1.00 0.00 N ATOM 2124 CA GLY B 139 11.591 15.937 -12.512 1.00 0.00 C ATOM 2125 C GLY B 139 10.368 16.469 -13.251 1.00 0.00 C ATOM 2126 O GLY B 139 9.291 15.873 -13.203 1.00 0.00 O ATOM 0 H GLY B 139 10.654 16.056 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY B 139 12.371 16.697 -12.559 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.961 15.066 -13.053 1.00 0.00 H new ATOM 2130 N LEU B 140 10.591 17.516 -14.050 1.00 0.00 N ATOM 2131 CA LEU B 140 9.693 18.005 -15.104 1.00 0.00 C ATOM 2132 C LEU B 140 10.352 17.790 -16.476 1.00 0.00 C ATOM 2133 O LEU B 140 11.579 17.858 -16.592 1.00 0.00 O ATOM 2134 CB LEU B 140 9.400 19.498 -14.844 1.00 0.00 C ATOM 2135 CG LEU B 140 8.317 20.136 -15.743 1.00 0.00 C ATOM 2136 CD1 LEU B 140 6.947 19.455 -15.598 1.00 0.00 C ATOM 2137 CD2 LEU B 140 8.173 21.623 -15.388 1.00 0.00 C ATOM 0 H LEU B 140 11.442 18.073 -13.977 1.00 0.00 H new ATOM 0 HA LEU B 140 8.751 17.457 -15.097 1.00 0.00 H new ATOM 0 HB2 LEU B 140 9.096 19.614 -13.804 1.00 0.00 H new ATOM 0 HB3 LEU B 140 10.327 20.058 -14.970 1.00 0.00 H new ATOM 0 HG LEU B 140 8.641 20.008 -16.776 1.00 0.00 H new ATOM 0 HD11 LEU B 140 6.226 19.945 -16.253 1.00 0.00 H new ATOM 0 HD12 LEU B 140 7.032 18.404 -15.874 1.00 0.00 H new ATOM 0 HD13 LEU B 140 6.610 19.532 -14.564 1.00 0.00 H new ATOM 0 HD21 LEU B 140 7.410 22.076 -16.021 1.00 0.00 H new ATOM 0 HD22 LEU B 140 7.882 21.721 -14.342 1.00 0.00 H new ATOM 0 HD23 LEU B 140 9.125 22.129 -15.549 1.00 0.00 H new ATOM 2149 N GLU B 141 9.559 17.529 -17.518 1.00 0.00 N ATOM 2150 CA GLU B 141 10.038 17.397 -18.909 1.00 0.00 C ATOM 2151 C GLU B 141 10.147 18.753 -19.621 1.00 0.00 C ATOM 2152 O GLU B 141 9.105 19.396 -19.886 1.00 0.00 O ATOM 2153 CB GLU B 141 9.138 16.398 -19.653 1.00 0.00 C ATOM 2154 CG GLU B 141 9.649 16.035 -21.055 1.00 0.00 C ATOM 2155 CD GLU B 141 8.759 14.991 -21.748 1.00 0.00 C ATOM 2156 OE1 GLU B 141 7.726 15.354 -22.365 1.00 0.00 O ATOM 2157 OE2 GLU B 141 9.108 13.782 -21.740 1.00 0.00 O ATOM 2158 OXT GLU B 141 11.292 19.183 -19.894 1.00 0.00 O ATOM 0 H GLU B 141 8.551 17.401 -17.425 1.00 0.00 H new ATOM 0 HA GLU B 141 11.055 17.006 -18.902 1.00 0.00 H new ATOM 0 HB2 GLU B 141 9.052 15.488 -19.060 1.00 0.00 H new ATOM 0 HB3 GLU B 141 8.136 16.818 -19.738 1.00 0.00 H new ATOM 0 HG2 GLU B 141 9.693 16.935 -21.668 1.00 0.00 H new ATOM 0 HG3 GLU B 141 10.666 15.650 -20.980 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 5.360 -6.776 -2.913 1.00 0.00 CU