USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 997 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 37 TYR OH : rot 21:sc= -0.0988 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -0.416 K(o=-2.6,f=-5.4!) USER MOD Set 1.3: A 77 HIS : no HD1:sc= -0.169 X(o=-2.6,f=-2.6) USER MOD Set 1.4: A 78 MET CE :methyl -122:sc= -1.71 (180deg=-1.76) USER MOD Set 1.5: A 81 MET CE :methyl -174:sc= -0.227 (180deg=0) USER MOD Set 2.1: A 25 THR OG1 : rot -1:sc= 0.397 USER MOD Set 2.2: A 98 MET CE :methyl -160:sc= -0.0915 (180deg=-0.491) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.0975 K(o=0.78,f=-3.8!) USER MOD Set 3.2: A 23 THR OG1 : rot -51:sc= 0.686 USER MOD Set 4.1: A 1 MET N :NH3+ -175:sc= 0.751 (180deg=-0.319) USER MOD Set 4.2: A 97 TYR OH : rot 171:sc= 0.843 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.338) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -150:sc= -0.545 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 124:sc= 0.466 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.937 F(o=-2.6!,f=-0.94) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0205) USER MOD Single : A 17 MET CE :methyl 180:sc= -0.23 (180deg=-0.23) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.339 USER MOD Single : A 36 SER OG : rot 62:sc= 0.688 USER MOD Single : A 38 THR OG1 : rot -112:sc= 0.604 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0525 X(o=-0.053,f=-0.0022) USER MOD Single : A 44 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.5) USER MOD Single : A 48 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc=-0.00142 (180deg=-0.0683) USER MOD Single : A 54 GLN : amide:sc= 0.214 K(o=0.21,f=-0.57) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 0.733 (180deg=0.00359) USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 0.534 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0894 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0611) USER MOD Single : A 94 THR OG1 : rot 160:sc= -0.0202 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -77:sc= 0.741 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -66:sc= 0.682 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -34:sc= 0.157 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Single : A 112 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.74) USER MOD Single : A 113 HIS :FLIP no HD1:sc= -0.513 F(o=-1,f=-0.51) USER MOD Single : A 114 LYS NZ :NH3+ 176:sc= 0.478 (180deg=0.441) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 122 SER OG : rot 180:sc= -0.113 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0465 X(o=-0.046,f=-0.005) USER MOD Single : A 128 HIS : no HD1:sc= 0.278 K(o=0.28,f=-0.96) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 130 HIS : no HD1:sc= 0.102 K(o=0.1,f=-0.42) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.272 15.458 -1.827 1.00 3.51 N ATOM 2 CA MET A 1 -4.175 15.526 -3.312 1.00 3.53 C ATOM 3 C MET A 1 -5.580 15.507 -3.950 1.00 4.21 C ATOM 4 O MET A 1 -6.523 14.950 -3.380 1.00 11.41 O ATOM 5 CB MET A 1 -3.327 14.346 -3.868 1.00 33.13 C ATOM 6 CG MET A 1 -1.939 14.202 -3.232 1.00 15.21 C ATOM 7 SD MET A 1 -0.926 15.681 -3.437 1.00 40.14 S ATOM 8 CE MET A 1 0.567 15.219 -2.557 1.00 55.24 C ATOM 0 H1 MET A 1 -3.323 15.557 -1.412 1.00 3.51 H new ATOM 0 H2 MET A 1 -4.882 16.227 -1.483 1.00 3.51 H new ATOM 0 H3 MET A 1 -4.678 14.542 -1.547 1.00 3.51 H new ATOM 0 HA MET A 1 -3.681 16.462 -3.571 1.00 3.53 H new ATOM 0 HB2 MET A 1 -3.879 13.418 -3.719 1.00 33.13 H new ATOM 0 HB3 MET A 1 -3.208 14.477 -4.944 1.00 33.13 H new ATOM 0 HG2 MET A 1 -2.051 13.987 -2.169 1.00 15.21 H new ATOM 0 HG3 MET A 1 -1.426 13.350 -3.677 1.00 15.21 H new ATOM 0 HE1 MET A 1 1.134 16.116 -2.306 1.00 55.24 H new ATOM 0 HE2 MET A 1 0.301 14.690 -1.642 1.00 55.24 H new ATOM 0 HE3 MET A 1 1.175 14.570 -3.187 1.00 55.24 H new ATOM 20 N LYS A 2 -5.693 16.116 -5.140 1.00 51.21 N ATOM 21 CA LYS A 2 -6.946 16.184 -5.924 1.00 33.53 C ATOM 22 C LYS A 2 -6.918 15.140 -7.069 1.00 45.03 C ATOM 23 O LYS A 2 -5.857 14.887 -7.651 1.00 52.42 O ATOM 24 CB LYS A 2 -7.113 17.620 -6.496 1.00 11.34 C ATOM 25 CG LYS A 2 -8.403 17.860 -7.311 1.00 52.13 C ATOM 26 CD LYS A 2 -8.485 19.298 -7.875 1.00 1.14 C ATOM 27 CE LYS A 2 -9.780 19.553 -8.664 1.00 5.52 C ATOM 28 NZ LYS A 2 -9.849 20.931 -9.211 1.00 44.54 N ATOM 0 H LYS A 2 -4.909 16.583 -5.595 1.00 51.21 H new ATOM 0 HA LYS A 2 -7.794 15.956 -5.278 1.00 33.53 H new ATOM 0 HB2 LYS A 2 -7.089 18.328 -5.668 1.00 11.34 H new ATOM 0 HB3 LYS A 2 -6.255 17.843 -7.131 1.00 11.34 H new ATOM 0 HG2 LYS A 2 -8.448 17.147 -8.134 1.00 52.13 H new ATOM 0 HG3 LYS A 2 -9.270 17.671 -6.678 1.00 52.13 H new ATOM 0 HD2 LYS A 2 -8.419 20.011 -7.053 1.00 1.14 H new ATOM 0 HD3 LYS A 2 -7.628 19.479 -8.523 1.00 1.14 H new ATOM 0 HE2 LYS A 2 -9.850 18.837 -9.482 1.00 5.52 H new ATOM 0 HE3 LYS A 2 -10.638 19.380 -8.014 1.00 5.52 H new ATOM 0 HZ1 LYS A 2 -10.740 21.053 -9.734 1.00 44.54 H new ATOM 0 HZ2 LYS A 2 -9.809 21.617 -8.430 1.00 44.54 H new ATOM 0 HZ3 LYS A 2 -9.046 21.090 -9.853 1.00 44.54 H new ATOM 42 N VAL A 3 -8.071 14.506 -7.362 1.00 4.25 N ATOM 43 CA VAL A 3 -8.203 13.582 -8.517 1.00 75.32 C ATOM 44 C VAL A 3 -8.096 14.354 -9.868 1.00 74.10 C ATOM 45 O VAL A 3 -8.732 15.401 -10.058 1.00 42.25 O ATOM 46 CB VAL A 3 -9.539 12.744 -8.461 1.00 21.25 C ATOM 47 CG1 VAL A 3 -9.595 11.686 -9.598 1.00 70.01 C ATOM 48 CG2 VAL A 3 -9.711 12.073 -7.077 1.00 32.44 C ATOM 0 H VAL A 3 -8.927 14.614 -6.817 1.00 4.25 H new ATOM 0 HA VAL A 3 -7.374 12.877 -8.453 1.00 75.32 H new ATOM 0 HB VAL A 3 -10.368 13.435 -8.612 1.00 21.25 H new ATOM 0 HG11 VAL A 3 -10.528 11.127 -9.529 1.00 70.01 H new ATOM 0 HG12 VAL A 3 -9.543 12.187 -10.564 1.00 70.01 H new ATOM 0 HG13 VAL A 3 -8.753 11.000 -9.499 1.00 70.01 H new ATOM 0 HG21 VAL A 3 -10.639 11.501 -7.063 1.00 32.44 H new ATOM 0 HG22 VAL A 3 -8.870 11.405 -6.889 1.00 32.44 H new ATOM 0 HG23 VAL A 3 -9.745 12.839 -6.303 1.00 32.44 H new ATOM 58 N GLY A 4 -7.273 13.818 -10.783 1.00 65.31 N ATOM 59 CA GLY A 4 -6.951 14.474 -12.058 1.00 30.33 C ATOM 60 C GLY A 4 -5.658 15.302 -11.996 1.00 51.51 C ATOM 61 O GLY A 4 -5.235 15.870 -13.008 1.00 71.53 O ATOM 0 H GLY A 4 -6.812 12.917 -10.659 1.00 65.31 H new ATOM 0 HA2 GLY A 4 -6.854 13.717 -12.836 1.00 30.33 H new ATOM 0 HA3 GLY A 4 -7.778 15.123 -12.346 1.00 30.33 H new ATOM 65 N SER A 5 -5.035 15.387 -10.797 1.00 12.02 N ATOM 66 CA SER A 5 -3.762 16.124 -10.593 1.00 43.13 C ATOM 67 C SER A 5 -2.516 15.270 -10.925 1.00 40.10 C ATOM 68 O SER A 5 -2.527 14.038 -10.794 1.00 13.12 O ATOM 69 CB SER A 5 -3.653 16.634 -9.136 1.00 33.54 C ATOM 70 OG SER A 5 -4.686 17.561 -8.818 1.00 71.44 O ATOM 0 H SER A 5 -5.396 14.951 -9.949 1.00 12.02 H new ATOM 0 HA SER A 5 -3.784 16.967 -11.284 1.00 43.13 H new ATOM 0 HB2 SER A 5 -3.701 15.788 -8.451 1.00 33.54 H new ATOM 0 HB3 SER A 5 -2.682 17.108 -8.989 1.00 33.54 H new ATOM 0 HG SER A 5 -4.361 18.195 -8.145 1.00 71.44 H new ATOM 76 N GLN A 6 -1.440 15.970 -11.341 1.00 30.24 N ATOM 77 CA GLN A 6 -0.105 15.377 -11.542 1.00 65.34 C ATOM 78 C GLN A 6 0.733 15.529 -10.257 1.00 15.23 C ATOM 79 O GLN A 6 0.932 16.644 -9.758 1.00 52.52 O ATOM 80 CB GLN A 6 0.630 16.045 -12.744 1.00 62.30 C ATOM 81 CG GLN A 6 0.003 15.786 -14.135 1.00 63.24 C ATOM 82 CD GLN A 6 0.114 14.333 -14.635 1.00 40.31 C ATOM 83 OE1 GLN A 6 0.125 13.377 -13.869 1.00 53.40 O ATOM 84 NE2 GLN A 6 0.203 14.155 -15.937 1.00 61.33 N ATOM 0 H GLN A 6 -1.475 16.968 -11.548 1.00 30.24 H new ATOM 0 HA GLN A 6 -0.230 14.318 -11.769 1.00 65.34 H new ATOM 0 HB2 GLN A 6 0.663 17.121 -12.574 1.00 62.30 H new ATOM 0 HB3 GLN A 6 1.661 15.692 -12.758 1.00 62.30 H new ATOM 0 HG2 GLN A 6 -1.050 16.064 -14.100 1.00 63.24 H new ATOM 0 HG3 GLN A 6 0.482 16.443 -14.861 1.00 63.24 H new ATOM 0 HE21 GLN A 6 0.193 14.960 -16.564 1.00 61.33 H new ATOM 0 HE22 GLN A 6 0.282 13.212 -16.319 1.00 61.33 H new ATOM 93 N VAL A 7 1.205 14.397 -9.722 1.00 72.04 N ATOM 94 CA VAL A 7 2.096 14.365 -8.545 1.00 54.10 C ATOM 95 C VAL A 7 3.415 13.654 -8.910 1.00 74.12 C ATOM 96 O VAL A 7 3.455 12.817 -9.807 1.00 72.00 O ATOM 97 CB VAL A 7 1.417 13.642 -7.308 1.00 23.15 C ATOM 98 CG1 VAL A 7 0.167 14.411 -6.814 1.00 54.14 C ATOM 99 CG2 VAL A 7 1.062 12.166 -7.630 1.00 21.35 C ATOM 0 H VAL A 7 0.982 13.472 -10.090 1.00 72.04 H new ATOM 0 HA VAL A 7 2.299 15.395 -8.253 1.00 54.10 H new ATOM 0 HB VAL A 7 2.150 13.640 -6.501 1.00 23.15 H new ATOM 0 HG11 VAL A 7 -0.272 13.886 -5.966 1.00 54.14 H new ATOM 0 HG12 VAL A 7 0.456 15.417 -6.508 1.00 54.14 H new ATOM 0 HG13 VAL A 7 -0.564 14.473 -7.620 1.00 54.14 H new ATOM 0 HG21 VAL A 7 0.599 11.705 -6.758 1.00 21.35 H new ATOM 0 HG22 VAL A 7 0.368 12.134 -8.470 1.00 21.35 H new ATOM 0 HG23 VAL A 7 1.970 11.622 -7.889 1.00 21.35 H new ATOM 109 N ILE A 8 4.499 14.023 -8.224 1.00 25.20 N ATOM 110 CA ILE A 8 5.800 13.339 -8.323 1.00 4.33 C ATOM 111 C ILE A 8 6.032 12.544 -7.025 1.00 65.24 C ATOM 112 O ILE A 8 5.795 13.061 -5.928 1.00 11.24 O ATOM 113 CB ILE A 8 6.983 14.357 -8.550 1.00 51.40 C ATOM 114 CG1 ILE A 8 6.689 15.301 -9.762 1.00 32.04 C ATOM 115 CG2 ILE A 8 8.344 13.627 -8.732 1.00 63.33 C ATOM 116 CD1 ILE A 8 6.490 14.607 -11.105 1.00 4.05 C ATOM 0 H ILE A 8 4.503 14.812 -7.577 1.00 25.20 H new ATOM 0 HA ILE A 8 5.780 12.672 -9.185 1.00 4.33 H new ATOM 0 HB ILE A 8 7.058 14.971 -7.652 1.00 51.40 H new ATOM 0 HG12 ILE A 8 5.795 15.883 -9.538 1.00 32.04 H new ATOM 0 HG13 ILE A 8 7.513 16.008 -9.857 1.00 32.04 H new ATOM 0 HG21 ILE A 8 9.134 14.362 -8.886 1.00 63.33 H new ATOM 0 HG22 ILE A 8 8.564 13.040 -7.841 1.00 63.33 H new ATOM 0 HG23 ILE A 8 8.290 12.967 -9.597 1.00 63.33 H new ATOM 0 HD11 ILE A 8 6.293 15.353 -11.875 1.00 4.05 H new ATOM 0 HD12 ILE A 8 7.390 14.049 -11.363 1.00 4.05 H new ATOM 0 HD13 ILE A 8 5.645 13.922 -11.039 1.00 4.05 H new ATOM 128 N ILE A 9 6.482 11.294 -7.157 1.00 61.40 N ATOM 129 CA ILE A 9 6.668 10.391 -6.007 1.00 11.15 C ATOM 130 C ILE A 9 7.948 10.797 -5.214 1.00 71.21 C ATOM 131 O ILE A 9 9.078 10.561 -5.664 1.00 3.54 O ATOM 132 CB ILE A 9 6.732 8.898 -6.486 1.00 74.10 C ATOM 133 CG1 ILE A 9 5.506 8.559 -7.410 1.00 3.13 C ATOM 134 CG2 ILE A 9 6.815 7.925 -5.285 1.00 42.01 C ATOM 135 CD1 ILE A 9 5.468 7.134 -7.948 1.00 53.12 C ATOM 0 H ILE A 9 6.728 10.877 -8.055 1.00 61.40 H new ATOM 0 HA ILE A 9 5.813 10.482 -5.337 1.00 11.15 H new ATOM 0 HB ILE A 9 7.642 8.771 -7.072 1.00 74.10 H new ATOM 0 HG12 ILE A 9 4.589 8.743 -6.850 1.00 3.13 H new ATOM 0 HG13 ILE A 9 5.507 9.248 -8.254 1.00 3.13 H new ATOM 0 HG21 ILE A 9 6.858 6.899 -5.650 1.00 42.01 H new ATOM 0 HG22 ILE A 9 7.711 8.141 -4.703 1.00 42.01 H new ATOM 0 HG23 ILE A 9 5.934 8.049 -4.655 1.00 42.01 H new ATOM 0 HD11 ILE A 9 4.584 7.004 -8.573 1.00 53.12 H new ATOM 0 HD12 ILE A 9 6.363 6.945 -8.541 1.00 53.12 H new ATOM 0 HD13 ILE A 9 5.430 6.432 -7.115 1.00 53.12 H new ATOM 147 N ASN A 10 7.738 11.425 -4.036 1.00 1.24 N ATOM 148 CA ASN A 10 8.819 12.033 -3.215 1.00 73.22 C ATOM 149 C ASN A 10 9.513 10.965 -2.329 1.00 51.53 C ATOM 150 O ASN A 10 10.712 11.041 -2.049 1.00 5.35 O ATOM 151 CB ASN A 10 8.221 13.167 -2.334 1.00 73.35 C ATOM 152 CG ASN A 10 9.269 13.966 -1.546 1.00 54.13 C ATOM 153 OD1 ASN A 10 10.409 14.128 -1.972 1.00 32.44 O ATOM 154 ND2 ASN A 10 8.883 14.488 -0.400 1.00 3.52 N ATOM 0 H ASN A 10 6.811 11.527 -3.622 1.00 1.24 H new ATOM 0 HA ASN A 10 9.574 12.452 -3.881 1.00 73.22 H new ATOM 0 HB2 ASN A 10 7.662 13.852 -2.972 1.00 73.35 H new ATOM 0 HB3 ASN A 10 7.509 12.731 -1.633 1.00 73.35 H new ATOM 0 HD21 ASN A 10 9.537 15.041 0.154 1.00 3.52 H new ATOM 0 HD22 ASN A 10 7.930 14.339 -0.067 1.00 3.52 H new ATOM 161 N THR A 11 8.719 9.993 -1.876 1.00 74.23 N ATOM 162 CA THR A 11 9.190 8.796 -1.148 1.00 41.24 C ATOM 163 C THR A 11 8.544 7.558 -1.789 1.00 40.23 C ATOM 164 O THR A 11 7.367 7.593 -2.153 1.00 62.11 O ATOM 165 CB THR A 11 8.824 8.882 0.377 1.00 13.22 C ATOM 166 OG1 THR A 11 9.616 9.899 1.011 1.00 1.42 O ATOM 167 CG2 THR A 11 9.006 7.543 1.128 1.00 32.25 C ATOM 0 H THR A 11 7.707 10.009 -2.004 1.00 74.23 H new ATOM 0 HA THR A 11 10.276 8.730 -1.216 1.00 41.24 H new ATOM 0 HB THR A 11 7.764 9.132 0.428 1.00 13.22 H new ATOM 0 HG1 THR A 11 9.383 9.950 1.962 1.00 1.42 H new ATOM 0 HG21 THR A 11 8.736 7.674 2.176 1.00 32.25 H new ATOM 0 HG22 THR A 11 8.364 6.784 0.680 1.00 32.25 H new ATOM 0 HG23 THR A 11 10.046 7.225 1.059 1.00 32.25 H new ATOM 175 N SER A 12 9.307 6.465 -1.904 1.00 60.30 N ATOM 176 CA SER A 12 8.840 5.249 -2.591 1.00 34.22 C ATOM 177 C SER A 12 9.342 3.969 -1.916 1.00 24.42 C ATOM 178 O SER A 12 10.329 3.968 -1.171 1.00 2.35 O ATOM 179 CB SER A 12 9.288 5.273 -4.065 1.00 24.33 C ATOM 180 OG SER A 12 10.694 5.177 -4.191 1.00 51.31 O ATOM 0 H SER A 12 10.253 6.395 -1.530 1.00 60.30 H new ATOM 0 HA SER A 12 7.752 5.242 -2.533 1.00 34.22 H new ATOM 0 HB2 SER A 12 8.818 4.448 -4.601 1.00 24.33 H new ATOM 0 HB3 SER A 12 8.944 6.195 -4.534 1.00 24.33 H new ATOM 0 HG SER A 12 10.920 4.414 -4.763 1.00 51.31 H new ATOM 186 N HIS A 13 8.625 2.881 -2.208 1.00 53.02 N ATOM 187 CA HIS A 13 8.913 1.526 -1.699 1.00 24.13 C ATOM 188 C HIS A 13 9.846 0.763 -2.682 1.00 14.42 C ATOM 189 O HIS A 13 10.458 -0.242 -2.319 1.00 5.21 O ATOM 190 CB HIS A 13 7.568 0.763 -1.498 1.00 50.14 C ATOM 191 CG HIS A 13 6.539 1.500 -0.648 1.00 61.14 C ATOM 192 ND1 HIS A 13 5.975 2.729 -0.825 1.00 72.31 N flip ATOM 193 CD2 HIS A 13 6.004 0.941 0.482 1.00 54.43 C flip ATOM 194 CE1 HIS A 13 5.088 2.914 0.194 1.00 71.24 C flip ATOM 195 NE2 HIS A 13 5.136 1.820 0.950 1.00 34.30 N flip ATOM 0 H HIS A 13 7.808 2.912 -2.818 1.00 53.02 H new ATOM 0 HA HIS A 13 9.430 1.596 -0.742 1.00 24.13 H new ATOM 0 HB2 HIS A 13 7.132 0.559 -2.476 1.00 50.14 H new ATOM 0 HB3 HIS A 13 7.778 -0.201 -1.035 1.00 50.14 H new ATOM 0 HD1 HIS A 13 6.178 3.386 -1.578 1.00 72.31 H new ATOM 0 HD2 HIS A 13 6.243 -0.023 0.905 1.00 54.43 H new ATOM 0 HE1 HIS A 13 4.466 3.782 0.356 1.00 71.24 H new ATOM 203 N MET A 14 9.931 1.262 -3.940 1.00 63.43 N ATOM 204 CA MET A 14 10.760 0.670 -5.026 1.00 44.31 C ATOM 205 C MET A 14 11.608 1.784 -5.709 1.00 63.41 C ATOM 206 O MET A 14 11.116 2.906 -5.891 1.00 71.21 O ATOM 207 CB MET A 14 9.845 -0.017 -6.085 1.00 2.53 C ATOM 208 CG MET A 14 8.877 -1.083 -5.541 1.00 21.12 C ATOM 209 SD MET A 14 7.717 -1.659 -6.809 1.00 52.32 S ATOM 210 CE MET A 14 6.653 -2.766 -5.879 1.00 61.33 C ATOM 0 H MET A 14 9.422 2.095 -4.235 1.00 63.43 H new ATOM 0 HA MET A 14 11.426 -0.077 -4.594 1.00 44.31 H new ATOM 0 HB2 MET A 14 9.262 0.754 -6.589 1.00 2.53 H new ATOM 0 HB3 MET A 14 10.480 -0.481 -6.840 1.00 2.53 H new ATOM 0 HG2 MET A 14 9.448 -1.930 -5.160 1.00 21.12 H new ATOM 0 HG3 MET A 14 8.319 -0.671 -4.700 1.00 21.12 H new ATOM 0 HE1 MET A 14 5.897 -3.187 -6.542 1.00 61.33 H new ATOM 0 HE2 MET A 14 7.250 -3.572 -5.453 1.00 61.33 H new ATOM 0 HE3 MET A 14 6.165 -2.213 -5.077 1.00 61.33 H new ATOM 220 N LYS A 15 12.851 1.439 -6.124 1.00 54.31 N ATOM 221 CA LYS A 15 13.854 2.407 -6.677 1.00 65.20 C ATOM 222 C LYS A 15 13.330 3.256 -7.873 1.00 15.12 C ATOM 223 O LYS A 15 13.585 4.463 -7.952 1.00 25.44 O ATOM 224 CB LYS A 15 15.155 1.654 -7.098 1.00 63.25 C ATOM 225 CG LYS A 15 14.950 0.535 -8.160 1.00 55.20 C ATOM 226 CD LYS A 15 16.283 -0.022 -8.724 1.00 75.03 C ATOM 227 CE LYS A 15 17.182 -0.651 -7.646 1.00 54.12 C ATOM 228 NZ LYS A 15 16.522 -1.793 -6.955 1.00 3.33 N ATOM 0 H LYS A 15 13.196 0.480 -6.088 1.00 54.31 H new ATOM 0 HA LYS A 15 14.061 3.110 -5.870 1.00 65.20 H new ATOM 0 HB2 LYS A 15 15.867 2.380 -7.490 1.00 63.25 H new ATOM 0 HB3 LYS A 15 15.606 1.213 -6.209 1.00 63.25 H new ATOM 0 HG2 LYS A 15 14.382 -0.281 -7.714 1.00 55.20 H new ATOM 0 HG3 LYS A 15 14.351 0.928 -8.982 1.00 55.20 H new ATOM 0 HD2 LYS A 15 16.063 -0.770 -9.486 1.00 75.03 H new ATOM 0 HD3 LYS A 15 16.827 0.784 -9.216 1.00 75.03 H new ATOM 0 HE2 LYS A 15 18.110 -0.994 -8.104 1.00 54.12 H new ATOM 0 HE3 LYS A 15 17.451 0.109 -6.912 1.00 54.12 H new ATOM 0 HZ1 LYS A 15 17.184 -2.216 -6.274 1.00 3.33 H new ATOM 0 HZ2 LYS A 15 15.678 -1.453 -6.452 1.00 3.33 H new ATOM 0 HZ3 LYS A 15 16.243 -2.509 -7.656 1.00 3.33 H new ATOM 242 N GLY A 16 12.584 2.605 -8.784 1.00 63.24 N ATOM 243 CA GLY A 16 12.095 3.243 -10.017 1.00 65.01 C ATOM 244 C GLY A 16 10.852 4.105 -9.828 1.00 22.40 C ATOM 245 O GLY A 16 10.483 4.861 -10.725 1.00 63.30 O ATOM 0 H GLY A 16 12.305 1.629 -8.686 1.00 63.24 H new ATOM 0 HA2 GLY A 16 12.891 3.861 -10.433 1.00 65.01 H new ATOM 0 HA3 GLY A 16 11.877 2.468 -10.751 1.00 65.01 H new ATOM 249 N MET A 17 10.199 4.001 -8.657 1.00 64.21 N ATOM 250 CA MET A 17 9.022 4.833 -8.350 1.00 1.24 C ATOM 251 C MET A 17 9.475 6.229 -7.872 1.00 23.14 C ATOM 252 O MET A 17 8.782 7.216 -8.101 1.00 11.33 O ATOM 253 CB MET A 17 8.106 4.155 -7.300 1.00 13.44 C ATOM 254 CG MET A 17 7.732 2.703 -7.616 1.00 63.01 C ATOM 255 SD MET A 17 6.228 2.139 -6.781 1.00 40.04 S ATOM 256 CE MET A 17 6.517 2.591 -5.074 1.00 73.24 C ATOM 0 H MET A 17 10.463 3.355 -7.913 1.00 64.21 H new ATOM 0 HA MET A 17 8.436 4.947 -9.262 1.00 1.24 H new ATOM 0 HB2 MET A 17 8.604 4.185 -6.331 1.00 13.44 H new ATOM 0 HB3 MET A 17 7.191 4.739 -7.206 1.00 13.44 H new ATOM 0 HG2 MET A 17 7.600 2.597 -8.693 1.00 63.01 H new ATOM 0 HG3 MET A 17 8.560 2.054 -7.331 1.00 63.01 H new ATOM 0 HE1 MET A 17 5.661 2.294 -4.469 1.00 73.24 H new ATOM 0 HE2 MET A 17 7.411 2.085 -4.710 1.00 73.24 H new ATOM 0 HE3 MET A 17 6.655 3.670 -5.002 1.00 73.24 H new ATOM 266 N LYS A 18 10.669 6.304 -7.240 1.00 61.43 N ATOM 267 CA LYS A 18 11.246 7.580 -6.772 1.00 15.01 C ATOM 268 C LYS A 18 11.557 8.521 -7.966 1.00 34.02 C ATOM 269 O LYS A 18 12.279 8.145 -8.899 1.00 14.32 O ATOM 270 CB LYS A 18 12.524 7.332 -5.915 1.00 63.12 C ATOM 271 CG LYS A 18 13.250 8.618 -5.444 1.00 23.14 C ATOM 272 CD LYS A 18 12.340 9.569 -4.631 1.00 22.43 C ATOM 273 CE LYS A 18 12.982 10.944 -4.400 1.00 22.44 C ATOM 274 NZ LYS A 18 14.207 10.872 -3.562 1.00 13.23 N ATOM 0 H LYS A 18 11.252 5.490 -7.043 1.00 61.43 H new ATOM 0 HA LYS A 18 10.505 8.071 -6.141 1.00 15.01 H new ATOM 0 HB2 LYS A 18 12.249 6.745 -5.039 1.00 63.12 H new ATOM 0 HB3 LYS A 18 13.222 6.729 -6.495 1.00 63.12 H new ATOM 0 HG2 LYS A 18 14.110 8.340 -4.835 1.00 23.14 H new ATOM 0 HG3 LYS A 18 13.635 9.150 -6.314 1.00 23.14 H new ATOM 0 HD2 LYS A 18 11.393 9.697 -5.156 1.00 22.43 H new ATOM 0 HD3 LYS A 18 12.111 9.112 -3.668 1.00 22.43 H new ATOM 0 HE2 LYS A 18 13.231 11.390 -5.363 1.00 22.44 H new ATOM 0 HE3 LYS A 18 12.258 11.603 -3.921 1.00 22.44 H new ATOM 0 HZ1 LYS A 18 14.599 11.827 -3.438 1.00 13.23 H new ATOM 0 HZ2 LYS A 18 13.968 10.472 -2.632 1.00 13.23 H new ATOM 0 HZ3 LYS A 18 14.912 10.266 -4.029 1.00 13.23 H new ATOM 288 N GLY A 19 10.962 9.729 -7.928 1.00 62.32 N ATOM 289 CA GLY A 19 11.160 10.744 -8.970 1.00 21.23 C ATOM 290 C GLY A 19 10.234 10.567 -10.183 1.00 73.35 C ATOM 291 O GLY A 19 10.328 11.331 -11.144 1.00 72.03 O ATOM 0 H GLY A 19 10.336 10.023 -7.178 1.00 62.32 H new ATOM 0 HA2 GLY A 19 10.996 11.732 -8.539 1.00 21.23 H new ATOM 0 HA3 GLY A 19 12.196 10.710 -9.306 1.00 21.23 H new ATOM 295 N ALA A 20 9.345 9.552 -10.139 1.00 14.03 N ATOM 296 CA ALA A 20 8.425 9.228 -11.257 1.00 5.42 C ATOM 297 C ALA A 20 7.194 10.162 -11.309 1.00 22.33 C ATOM 298 O ALA A 20 6.717 10.640 -10.269 1.00 33.12 O ATOM 299 CB ALA A 20 7.966 7.766 -11.141 1.00 22.03 C ATOM 0 H ALA A 20 9.243 8.935 -9.333 1.00 14.03 H new ATOM 0 HA ALA A 20 8.978 9.378 -12.184 1.00 5.42 H new ATOM 0 HB1 ALA A 20 7.290 7.530 -11.963 1.00 22.03 H new ATOM 0 HB2 ALA A 20 8.834 7.108 -11.184 1.00 22.03 H new ATOM 0 HB3 ALA A 20 7.448 7.621 -10.193 1.00 22.03 H new ATOM 305 N GLU A 21 6.676 10.392 -12.534 1.00 14.12 N ATOM 306 CA GLU A 21 5.454 11.193 -12.758 1.00 24.41 C ATOM 307 C GLU A 21 4.202 10.313 -12.591 1.00 21.14 C ATOM 308 O GLU A 21 3.894 9.485 -13.452 1.00 65.01 O ATOM 309 CB GLU A 21 5.442 11.853 -14.166 1.00 64.21 C ATOM 310 CG GLU A 21 6.618 12.802 -14.463 1.00 54.44 C ATOM 311 CD GLU A 21 7.931 12.080 -14.825 1.00 5.21 C ATOM 312 OE1 GLU A 21 8.035 11.554 -15.957 1.00 54.22 O ATOM 313 OE2 GLU A 21 8.860 12.032 -13.992 1.00 24.23 O ATOM 0 H GLU A 21 7.091 10.029 -13.392 1.00 14.12 H new ATOM 0 HA GLU A 21 5.447 11.989 -12.013 1.00 24.41 H new ATOM 0 HB2 GLU A 21 5.436 11.064 -14.918 1.00 64.21 H new ATOM 0 HB3 GLU A 21 4.511 12.409 -14.280 1.00 64.21 H new ATOM 0 HG2 GLU A 21 6.340 13.462 -15.285 1.00 54.44 H new ATOM 0 HG3 GLU A 21 6.791 13.433 -13.591 1.00 54.44 H new ATOM 320 N ALA A 22 3.504 10.494 -11.471 1.00 30.43 N ATOM 321 CA ALA A 22 2.266 9.755 -11.141 1.00 31.13 C ATOM 322 C ALA A 22 1.007 10.620 -11.383 1.00 41.34 C ATOM 323 O ALA A 22 1.064 11.849 -11.342 1.00 51.11 O ATOM 324 CB ALA A 22 2.320 9.267 -9.685 1.00 1.13 C ATOM 0 H ALA A 22 3.778 11.164 -10.752 1.00 30.43 H new ATOM 0 HA ALA A 22 2.198 8.891 -11.803 1.00 31.13 H new ATOM 0 HB1 ALA A 22 1.405 8.724 -9.449 1.00 1.13 H new ATOM 0 HB2 ALA A 22 3.178 8.607 -9.554 1.00 1.13 H new ATOM 0 HB3 ALA A 22 2.416 10.123 -9.018 1.00 1.13 H new ATOM 330 N THR A 23 -0.134 9.958 -11.639 1.00 55.42 N ATOM 331 CA THR A 23 -1.442 10.631 -11.832 1.00 4.35 C ATOM 332 C THR A 23 -2.447 10.120 -10.784 1.00 43.23 C ATOM 333 O THR A 23 -2.705 8.920 -10.717 1.00 2.05 O ATOM 334 CB THR A 23 -2.024 10.378 -13.272 1.00 5.31 C ATOM 335 OG1 THR A 23 -1.046 10.728 -14.267 1.00 44.31 O ATOM 336 CG2 THR A 23 -3.319 11.186 -13.530 1.00 42.03 C ATOM 0 H THR A 23 -0.182 8.942 -11.719 1.00 55.42 H new ATOM 0 HA THR A 23 -1.282 11.703 -11.714 1.00 4.35 H new ATOM 0 HB THR A 23 -2.268 9.318 -13.337 1.00 5.31 H new ATOM 0 HG1 THR A 23 -0.706 11.630 -14.088 1.00 44.31 H new ATOM 0 HG21 THR A 23 -3.683 10.979 -14.536 1.00 42.03 H new ATOM 0 HG22 THR A 23 -4.078 10.898 -12.803 1.00 42.03 H new ATOM 0 HG23 THR A 23 -3.109 12.251 -13.433 1.00 42.03 H new ATOM 344 N VAL A 24 -3.015 11.036 -9.974 1.00 61.11 N ATOM 345 CA VAL A 24 -4.022 10.685 -8.945 1.00 23.13 C ATOM 346 C VAL A 24 -5.374 10.349 -9.623 1.00 43.43 C ATOM 347 O VAL A 24 -6.073 11.241 -10.093 1.00 61.13 O ATOM 348 CB VAL A 24 -4.208 11.853 -7.903 1.00 74.42 C ATOM 349 CG1 VAL A 24 -5.280 11.511 -6.836 1.00 61.32 C ATOM 350 CG2 VAL A 24 -2.858 12.221 -7.238 1.00 21.45 C ATOM 0 H VAL A 24 -2.793 12.031 -10.011 1.00 61.11 H new ATOM 0 HA VAL A 24 -3.664 9.810 -8.403 1.00 23.13 H new ATOM 0 HB VAL A 24 -4.567 12.724 -8.452 1.00 74.42 H new ATOM 0 HG11 VAL A 24 -5.377 12.342 -6.138 1.00 61.32 H new ATOM 0 HG12 VAL A 24 -6.238 11.335 -7.326 1.00 61.32 H new ATOM 0 HG13 VAL A 24 -4.980 10.615 -6.293 1.00 61.32 H new ATOM 0 HG21 VAL A 24 -3.013 13.029 -6.523 1.00 21.45 H new ATOM 0 HG22 VAL A 24 -2.458 11.350 -6.719 1.00 21.45 H new ATOM 0 HG23 VAL A 24 -2.152 12.544 -8.003 1.00 21.45 H new ATOM 360 N THR A 25 -5.710 9.053 -9.719 1.00 31.10 N ATOM 361 CA THR A 25 -6.957 8.593 -10.395 1.00 54.10 C ATOM 362 C THR A 25 -7.954 7.946 -9.415 1.00 54.34 C ATOM 363 O THR A 25 -9.087 7.621 -9.803 1.00 1.42 O ATOM 364 CB THR A 25 -6.624 7.604 -11.559 1.00 34.10 C ATOM 365 OG1 THR A 25 -5.872 6.484 -11.056 1.00 64.45 O ATOM 366 CG2 THR A 25 -5.826 8.305 -12.674 1.00 34.41 C ATOM 0 H THR A 25 -5.142 8.296 -9.340 1.00 31.10 H new ATOM 0 HA THR A 25 -7.437 9.481 -10.807 1.00 54.10 H new ATOM 0 HB THR A 25 -7.566 7.251 -11.980 1.00 34.10 H new ATOM 0 HG1 THR A 25 -5.724 6.595 -10.094 1.00 64.45 H new ATOM 0 HG21 THR A 25 -5.609 7.592 -13.470 1.00 34.41 H new ATOM 0 HG22 THR A 25 -6.412 9.131 -13.077 1.00 34.41 H new ATOM 0 HG23 THR A 25 -4.891 8.689 -12.266 1.00 34.41 H new ATOM 374 N GLY A 26 -7.536 7.774 -8.149 1.00 71.25 N ATOM 375 CA GLY A 26 -8.408 7.250 -7.094 1.00 51.11 C ATOM 376 C GLY A 26 -8.076 7.854 -5.730 1.00 62.01 C ATOM 377 O GLY A 26 -6.939 7.751 -5.275 1.00 31.40 O ATOM 0 H GLY A 26 -6.591 7.994 -7.834 1.00 71.25 H new ATOM 0 HA2 GLY A 26 -9.448 7.463 -7.343 1.00 51.11 H new ATOM 0 HA3 GLY A 26 -8.308 6.166 -7.045 1.00 51.11 H new ATOM 381 N ALA A 27 -9.071 8.480 -5.073 1.00 24.42 N ATOM 382 CA ALA A 27 -8.907 9.086 -3.731 1.00 42.31 C ATOM 383 C ALA A 27 -9.576 8.204 -2.654 1.00 54.15 C ATOM 384 O ALA A 27 -10.786 7.986 -2.690 1.00 24.41 O ATOM 385 CB ALA A 27 -9.492 10.508 -3.721 1.00 43.12 C ATOM 0 H ALA A 27 -10.012 8.582 -5.454 1.00 24.42 H new ATOM 0 HA ALA A 27 -7.844 9.150 -3.499 1.00 42.31 H new ATOM 0 HB1 ALA A 27 -9.367 10.946 -2.731 1.00 43.12 H new ATOM 0 HB2 ALA A 27 -8.971 11.121 -4.457 1.00 43.12 H new ATOM 0 HB3 ALA A 27 -10.553 10.467 -3.968 1.00 43.12 H new ATOM 391 N TYR A 28 -8.769 7.666 -1.717 1.00 73.32 N ATOM 392 CA TYR A 28 -9.257 6.781 -0.628 1.00 20.34 C ATOM 393 C TYR A 28 -8.780 7.318 0.743 1.00 24.32 C ATOM 394 O TYR A 28 -7.582 7.442 0.983 1.00 44.41 O ATOM 395 CB TYR A 28 -8.742 5.319 -0.829 1.00 64.32 C ATOM 396 CG TYR A 28 -9.096 4.675 -2.188 1.00 32.33 C ATOM 397 CD1 TYR A 28 -8.387 5.014 -3.347 1.00 20.11 C ATOM 398 CD2 TYR A 28 -10.127 3.736 -2.316 1.00 43.02 C ATOM 399 CE1 TYR A 28 -8.695 4.450 -4.571 1.00 64.32 C ATOM 400 CE2 TYR A 28 -10.430 3.165 -3.547 1.00 14.44 C ATOM 401 CZ TYR A 28 -9.710 3.528 -4.668 1.00 3.42 C ATOM 402 OH TYR A 28 -10.012 2.968 -5.896 1.00 54.12 O ATOM 0 H TYR A 28 -7.763 7.829 -1.690 1.00 73.32 H new ATOM 0 HA TYR A 28 -10.347 6.773 -0.655 1.00 20.34 H new ATOM 0 HB2 TYR A 28 -7.658 5.314 -0.715 1.00 64.32 H new ATOM 0 HB3 TYR A 28 -9.149 4.695 -0.033 1.00 64.32 H new ATOM 0 HD1 TYR A 28 -7.582 5.731 -3.283 1.00 20.11 H new ATOM 0 HD2 TYR A 28 -10.696 3.451 -1.444 1.00 43.02 H new ATOM 0 HE1 TYR A 28 -8.138 4.734 -5.452 1.00 64.32 H new ATOM 0 HE2 TYR A 28 -11.226 2.440 -3.626 1.00 14.44 H new ATOM 0 HH TYR A 28 -10.753 2.335 -5.793 1.00 54.12 H new ATOM 412 N ASP A 29 -9.726 7.655 1.628 1.00 15.44 N ATOM 413 CA ASP A 29 -9.432 8.071 3.018 1.00 11.24 C ATOM 414 C ASP A 29 -9.986 7.014 4.009 1.00 51.33 C ATOM 415 O ASP A 29 -11.145 7.063 4.436 1.00 13.11 O ATOM 416 CB ASP A 29 -9.974 9.512 3.281 1.00 74.53 C ATOM 417 CG ASP A 29 -11.480 9.688 2.996 1.00 30.35 C ATOM 418 OD1 ASP A 29 -11.886 9.605 1.816 1.00 21.02 O ATOM 419 OD2 ASP A 29 -12.263 9.904 3.947 1.00 73.55 O ATOM 0 H ASP A 29 -10.722 7.649 1.406 1.00 15.44 H new ATOM 0 HA ASP A 29 -8.354 8.118 3.175 1.00 11.24 H new ATOM 0 HB2 ASP A 29 -9.780 9.776 4.321 1.00 74.53 H new ATOM 0 HB3 ASP A 29 -9.415 10.216 2.664 1.00 74.53 H new ATOM 424 N THR A 30 -9.156 5.995 4.291 1.00 24.55 N ATOM 425 CA THR A 30 -9.506 4.869 5.201 1.00 62.32 C ATOM 426 C THR A 30 -8.325 4.549 6.156 1.00 74.43 C ATOM 427 O THR A 30 -7.276 5.204 6.098 1.00 62.23 O ATOM 428 CB THR A 30 -9.917 3.602 4.367 1.00 65.33 C ATOM 429 OG1 THR A 30 -10.332 2.527 5.232 1.00 41.41 O ATOM 430 CG2 THR A 30 -8.781 3.116 3.447 1.00 62.45 C ATOM 0 H THR A 30 -8.218 5.921 3.897 1.00 24.55 H new ATOM 0 HA THR A 30 -10.358 5.167 5.812 1.00 62.32 H new ATOM 0 HB THR A 30 -10.755 3.903 3.738 1.00 65.33 H new ATOM 0 HG1 THR A 30 -10.585 1.750 4.690 1.00 41.41 H new ATOM 0 HG21 THR A 30 -9.113 2.239 2.892 1.00 62.45 H new ATOM 0 HG22 THR A 30 -8.515 3.909 2.748 1.00 62.45 H new ATOM 0 HG23 THR A 30 -7.911 2.856 4.050 1.00 62.45 H new ATOM 438 N THR A 31 -8.495 3.548 7.044 1.00 71.04 N ATOM 439 CA THR A 31 -7.409 3.094 7.952 1.00 32.01 C ATOM 440 C THR A 31 -6.411 2.178 7.189 1.00 65.33 C ATOM 441 O THR A 31 -6.812 1.152 6.620 1.00 45.21 O ATOM 442 CB THR A 31 -7.965 2.324 9.205 1.00 61.34 C ATOM 443 OG1 THR A 31 -9.094 3.021 9.752 1.00 53.35 O ATOM 444 CG2 THR A 31 -6.891 2.176 10.308 1.00 43.15 C ATOM 0 H THR A 31 -9.370 3.036 7.155 1.00 71.04 H new ATOM 0 HA THR A 31 -6.897 3.989 8.305 1.00 32.01 H new ATOM 0 HB THR A 31 -8.260 1.330 8.869 1.00 61.34 H new ATOM 0 HG1 THR A 31 -9.434 2.533 10.531 1.00 53.35 H new ATOM 0 HG21 THR A 31 -7.313 1.639 11.157 1.00 43.15 H new ATOM 0 HG22 THR A 31 -6.039 1.621 9.915 1.00 43.15 H new ATOM 0 HG23 THR A 31 -6.562 3.164 10.631 1.00 43.15 H new ATOM 452 N ALA A 32 -5.121 2.554 7.202 1.00 53.44 N ATOM 453 CA ALA A 32 -4.037 1.822 6.512 1.00 61.20 C ATOM 454 C ALA A 32 -3.081 1.181 7.549 1.00 74.11 C ATOM 455 O ALA A 32 -2.569 1.860 8.441 1.00 73.15 O ATOM 456 CB ALA A 32 -3.282 2.778 5.575 1.00 21.40 C ATOM 0 H ALA A 32 -4.794 3.384 7.697 1.00 53.44 H new ATOM 0 HA ALA A 32 -4.465 1.019 5.911 1.00 61.20 H new ATOM 0 HB1 ALA A 32 -2.484 2.236 5.068 1.00 21.40 H new ATOM 0 HB2 ALA A 32 -3.972 3.183 4.835 1.00 21.40 H new ATOM 0 HB3 ALA A 32 -2.853 3.594 6.156 1.00 21.40 H new ATOM 462 N TYR A 33 -2.856 -0.135 7.428 1.00 3.21 N ATOM 463 CA TYR A 33 -2.087 -0.933 8.408 1.00 52.34 C ATOM 464 C TYR A 33 -0.655 -1.265 7.927 1.00 70.41 C ATOM 465 O TYR A 33 -0.377 -1.380 6.726 1.00 60.11 O ATOM 466 CB TYR A 33 -2.858 -2.246 8.721 1.00 53.52 C ATOM 467 CG TYR A 33 -4.273 -1.999 9.257 1.00 72.44 C ATOM 468 CD1 TYR A 33 -4.469 -1.473 10.535 1.00 74.44 C ATOM 469 CD2 TYR A 33 -5.406 -2.258 8.482 1.00 45.21 C ATOM 470 CE1 TYR A 33 -5.737 -1.214 11.013 1.00 33.31 C ATOM 471 CE2 TYR A 33 -6.673 -2.008 8.969 1.00 12.23 C ATOM 472 CZ TYR A 33 -6.835 -1.486 10.229 1.00 71.01 C ATOM 473 OH TYR A 33 -8.101 -1.222 10.709 1.00 42.21 O ATOM 0 H TYR A 33 -3.203 -0.685 6.642 1.00 3.21 H new ATOM 0 HA TYR A 33 -1.982 -0.327 9.308 1.00 52.34 H new ATOM 0 HB2 TYR A 33 -2.919 -2.849 7.815 1.00 53.52 H new ATOM 0 HB3 TYR A 33 -2.295 -2.826 9.452 1.00 53.52 H new ATOM 0 HD1 TYR A 33 -3.613 -1.265 11.160 1.00 74.44 H new ATOM 0 HD2 TYR A 33 -5.289 -2.660 7.486 1.00 45.21 H new ATOM 0 HE1 TYR A 33 -5.868 -0.798 12.001 1.00 33.31 H new ATOM 0 HE2 TYR A 33 -7.538 -2.223 8.359 1.00 12.23 H new ATOM 0 HH TYR A 33 -8.766 -1.470 10.033 1.00 42.21 H new ATOM 483 N VAL A 34 0.236 -1.398 8.916 1.00 54.52 N ATOM 484 CA VAL A 34 1.608 -1.916 8.760 1.00 15.24 C ATOM 485 C VAL A 34 1.657 -3.335 9.388 1.00 54.41 C ATOM 486 O VAL A 34 1.443 -3.482 10.593 1.00 35.23 O ATOM 487 CB VAL A 34 2.630 -0.914 9.443 1.00 14.33 C ATOM 488 CG1 VAL A 34 4.011 -1.550 9.700 1.00 71.32 C ATOM 489 CG2 VAL A 34 2.778 0.377 8.585 1.00 13.33 C ATOM 0 H VAL A 34 0.019 -1.141 9.879 1.00 54.52 H new ATOM 0 HA VAL A 34 1.892 -1.993 7.710 1.00 15.24 H new ATOM 0 HB VAL A 34 2.216 -0.657 10.418 1.00 14.33 H new ATOM 0 HG11 VAL A 34 4.668 -0.817 10.169 1.00 71.32 H new ATOM 0 HG12 VAL A 34 3.898 -2.410 10.360 1.00 71.32 H new ATOM 0 HG13 VAL A 34 4.445 -1.873 8.754 1.00 71.32 H new ATOM 0 HG21 VAL A 34 3.483 1.055 9.067 1.00 13.33 H new ATOM 0 HG22 VAL A 34 3.147 0.115 7.593 1.00 13.33 H new ATOM 0 HG23 VAL A 34 1.808 0.866 8.494 1.00 13.33 H new ATOM 499 N VAL A 35 1.877 -4.385 8.553 1.00 25.30 N ATOM 500 CA VAL A 35 1.740 -5.814 8.983 1.00 51.51 C ATOM 501 C VAL A 35 3.014 -6.657 8.696 1.00 73.01 C ATOM 502 O VAL A 35 3.697 -6.446 7.710 1.00 51.12 O ATOM 503 CB VAL A 35 0.495 -6.500 8.279 1.00 75.24 C ATOM 504 CG1 VAL A 35 -0.823 -5.781 8.655 1.00 3.10 C ATOM 505 CG2 VAL A 35 0.663 -6.562 6.733 1.00 63.43 C ATOM 0 H VAL A 35 2.150 -4.275 7.577 1.00 25.30 H new ATOM 0 HA VAL A 35 1.591 -5.789 10.063 1.00 51.51 H new ATOM 0 HB VAL A 35 0.446 -7.525 8.646 1.00 75.24 H new ATOM 0 HG11 VAL A 35 -1.660 -6.272 8.158 1.00 3.10 H new ATOM 0 HG12 VAL A 35 -0.966 -5.824 9.735 1.00 3.10 H new ATOM 0 HG13 VAL A 35 -0.773 -4.740 8.337 1.00 3.10 H new ATOM 0 HG21 VAL A 35 -0.212 -7.039 6.291 1.00 63.43 H new ATOM 0 HG22 VAL A 35 0.764 -5.551 6.337 1.00 63.43 H new ATOM 0 HG23 VAL A 35 1.554 -7.139 6.487 1.00 63.43 H new ATOM 515 N SER A 36 3.307 -7.641 9.567 1.00 45.04 N ATOM 516 CA SER A 36 4.427 -8.607 9.362 1.00 5.31 C ATOM 517 C SER A 36 3.876 -10.016 9.055 1.00 61.32 C ATOM 518 O SER A 36 3.009 -10.506 9.782 1.00 75.14 O ATOM 519 CB SER A 36 5.345 -8.658 10.606 1.00 12.05 C ATOM 520 OG SER A 36 5.952 -7.398 10.854 1.00 32.41 O ATOM 0 H SER A 36 2.785 -7.797 10.429 1.00 45.04 H new ATOM 0 HA SER A 36 5.016 -8.265 8.511 1.00 5.31 H new ATOM 0 HB2 SER A 36 4.764 -8.961 11.477 1.00 12.05 H new ATOM 0 HB3 SER A 36 6.117 -9.413 10.459 1.00 12.05 H new ATOM 0 HG SER A 36 5.258 -6.730 11.031 1.00 32.41 H new ATOM 526 N TYR A 37 4.400 -10.667 7.995 1.00 12.02 N ATOM 527 CA TYR A 37 3.893 -11.977 7.514 1.00 32.13 C ATOM 528 C TYR A 37 4.957 -12.750 6.708 1.00 72.40 C ATOM 529 O TYR A 37 5.907 -12.166 6.168 1.00 14.21 O ATOM 530 CB TYR A 37 2.609 -11.801 6.642 1.00 20.45 C ATOM 531 CG TYR A 37 2.810 -11.036 5.319 1.00 61.34 C ATOM 532 CD1 TYR A 37 2.812 -9.642 5.289 1.00 72.52 C ATOM 533 CD2 TYR A 37 3.002 -11.710 4.101 1.00 14.04 C ATOM 534 CE1 TYR A 37 2.990 -8.956 4.110 1.00 52.55 C ATOM 535 CE2 TYR A 37 3.185 -11.015 2.918 1.00 2.45 C ATOM 536 CZ TYR A 37 3.177 -9.636 2.931 1.00 71.34 C ATOM 537 OH TYR A 37 3.358 -8.928 1.762 1.00 71.54 O ATOM 0 H TYR A 37 5.182 -10.305 7.449 1.00 12.02 H new ATOM 0 HA TYR A 37 3.647 -12.557 8.403 1.00 32.13 H new ATOM 0 HB2 TYR A 37 2.207 -12.788 6.414 1.00 20.45 H new ATOM 0 HB3 TYR A 37 1.857 -11.279 7.234 1.00 20.45 H new ATOM 0 HD1 TYR A 37 2.671 -9.091 6.207 1.00 72.52 H new ATOM 0 HD2 TYR A 37 3.007 -12.790 4.088 1.00 14.04 H new ATOM 0 HE1 TYR A 37 2.983 -7.876 4.111 1.00 52.55 H new ATOM 0 HE2 TYR A 37 3.333 -11.549 1.991 1.00 2.45 H new ATOM 0 HH TYR A 37 3.652 -8.017 1.973 1.00 71.54 H new ATOM 547 N THR A 38 4.748 -14.069 6.606 1.00 42.21 N ATOM 548 CA THR A 38 5.551 -14.961 5.749 1.00 51.13 C ATOM 549 C THR A 38 4.639 -15.460 4.600 1.00 24.45 C ATOM 550 O THR A 38 3.647 -16.151 4.881 1.00 53.24 O ATOM 551 CB THR A 38 6.124 -16.192 6.542 1.00 64.11 C ATOM 552 OG1 THR A 38 6.887 -15.734 7.668 1.00 51.15 O ATOM 553 CG2 THR A 38 7.027 -17.094 5.666 1.00 10.35 C ATOM 0 H THR A 38 4.012 -14.554 7.119 1.00 42.21 H new ATOM 0 HA THR A 38 6.406 -14.404 5.366 1.00 51.13 H new ATOM 0 HB THR A 38 5.269 -16.784 6.868 1.00 64.11 H new ATOM 0 HG1 THR A 38 7.834 -15.943 7.528 1.00 51.15 H new ATOM 0 HG21 THR A 38 7.396 -17.928 6.262 1.00 10.35 H new ATOM 0 HG22 THR A 38 6.451 -17.477 4.824 1.00 10.35 H new ATOM 0 HG23 THR A 38 7.871 -16.513 5.294 1.00 10.35 H new ATOM 561 N PRO A 39 4.917 -15.070 3.304 1.00 34.50 N ATOM 562 CA PRO A 39 4.189 -15.610 2.119 1.00 52.43 C ATOM 563 C PRO A 39 4.169 -17.165 2.103 1.00 73.32 C ATOM 564 O PRO A 39 5.223 -17.810 2.009 1.00 64.21 O ATOM 565 CB PRO A 39 4.981 -15.024 0.915 1.00 62.14 C ATOM 566 CG PRO A 39 5.587 -13.764 1.455 1.00 71.21 C ATOM 567 CD PRO A 39 5.933 -14.064 2.899 1.00 43.54 C ATOM 0 HA PRO A 39 3.136 -15.330 2.108 1.00 52.43 H new ATOM 0 HB2 PRO A 39 5.747 -15.717 0.566 1.00 62.14 H new ATOM 0 HB3 PRO A 39 4.326 -14.820 0.068 1.00 62.14 H new ATOM 0 HG2 PRO A 39 6.475 -13.483 0.889 1.00 71.21 H new ATOM 0 HG3 PRO A 39 4.887 -12.931 1.385 1.00 71.21 H new ATOM 0 HD2 PRO A 39 6.945 -14.457 2.995 1.00 43.54 H new ATOM 0 HD3 PRO A 39 5.879 -13.168 3.518 1.00 43.54 H new ATOM 575 N THR A 40 2.954 -17.744 2.195 1.00 54.21 N ATOM 576 CA THR A 40 2.732 -19.200 2.417 1.00 31.51 C ATOM 577 C THR A 40 3.139 -20.085 1.210 1.00 51.15 C ATOM 578 O THR A 40 3.134 -21.316 1.308 1.00 33.53 O ATOM 579 CB THR A 40 1.237 -19.475 2.783 1.00 34.32 C ATOM 580 OG1 THR A 40 0.382 -19.039 1.707 1.00 60.40 O ATOM 581 CG2 THR A 40 0.828 -18.764 4.090 1.00 23.22 C ATOM 0 H THR A 40 2.086 -17.214 2.117 1.00 54.21 H new ATOM 0 HA THR A 40 3.383 -19.476 3.246 1.00 31.51 H new ATOM 0 HB THR A 40 1.125 -20.548 2.935 1.00 34.32 H new ATOM 0 HG1 THR A 40 -0.553 -19.215 1.941 1.00 60.40 H new ATOM 0 HG21 THR A 40 -0.218 -18.980 4.310 1.00 23.22 H new ATOM 0 HG22 THR A 40 1.452 -19.121 4.909 1.00 23.22 H new ATOM 0 HG23 THR A 40 0.960 -17.688 3.976 1.00 23.22 H new ATOM 589 N ASN A 41 3.495 -19.451 0.078 1.00 54.22 N ATOM 590 CA ASN A 41 4.074 -20.144 -1.100 1.00 42.44 C ATOM 591 C ASN A 41 5.588 -20.480 -0.884 1.00 50.44 C ATOM 592 O ASN A 41 6.218 -21.142 -1.716 1.00 64.13 O ATOM 593 CB ASN A 41 3.864 -19.245 -2.353 1.00 45.32 C ATOM 594 CG ASN A 41 4.175 -19.936 -3.684 1.00 22.44 C ATOM 595 OD1 ASN A 41 3.309 -20.562 -4.291 1.00 34.25 O ATOM 596 ND2 ASN A 41 5.406 -19.828 -4.149 1.00 35.03 N ATOM 0 H ASN A 41 3.392 -18.445 -0.051 1.00 54.22 H new ATOM 0 HA ASN A 41 3.566 -21.098 -1.245 1.00 42.44 H new ATOM 0 HB2 ASN A 41 2.830 -18.900 -2.369 1.00 45.32 H new ATOM 0 HB3 ASN A 41 4.494 -18.360 -2.261 1.00 45.32 H new ATOM 0 HD21 ASN A 41 5.658 -20.270 -5.033 1.00 35.03 H new ATOM 0 HD22 ASN A 41 6.105 -19.302 -3.624 1.00 35.03 H new ATOM 603 N GLY A 42 6.147 -20.052 0.266 1.00 1.31 N ATOM 604 CA GLY A 42 7.584 -20.175 0.544 1.00 53.10 C ATOM 605 C GLY A 42 8.378 -18.961 0.051 1.00 51.44 C ATOM 606 O GLY A 42 9.527 -19.087 -0.386 1.00 60.11 O ATOM 0 H GLY A 42 5.616 -19.615 1.020 1.00 1.31 H new ATOM 0 HA2 GLY A 42 7.735 -20.294 1.617 1.00 53.10 H new ATOM 0 HA3 GLY A 42 7.968 -21.076 0.066 1.00 53.10 H new ATOM 610 N GLY A 43 7.746 -17.773 0.144 1.00 51.11 N ATOM 611 CA GLY A 43 8.340 -16.513 -0.327 1.00 72.33 C ATOM 612 C GLY A 43 9.150 -15.780 0.750 1.00 31.34 C ATOM 613 O GLY A 43 9.361 -16.305 1.849 1.00 70.12 O ATOM 0 H GLY A 43 6.815 -17.664 0.546 1.00 51.11 H new ATOM 0 HA2 GLY A 43 8.987 -16.721 -1.179 1.00 72.33 H new ATOM 0 HA3 GLY A 43 7.546 -15.857 -0.683 1.00 72.33 H new ATOM 617 N GLN A 44 9.605 -14.559 0.426 1.00 31.44 N ATOM 618 CA GLN A 44 10.426 -13.727 1.334 1.00 61.22 C ATOM 619 C GLN A 44 9.546 -13.142 2.462 1.00 12.23 C ATOM 620 O GLN A 44 8.602 -12.407 2.170 1.00 31.43 O ATOM 621 CB GLN A 44 11.120 -12.550 0.561 1.00 44.10 C ATOM 622 CG GLN A 44 11.971 -12.934 -0.684 1.00 20.31 C ATOM 623 CD GLN A 44 11.143 -13.212 -1.947 1.00 21.44 C ATOM 624 OE1 GLN A 44 10.740 -14.342 -2.212 1.00 21.41 O ATOM 625 NE2 GLN A 44 10.862 -12.185 -2.728 1.00 42.43 N ATOM 0 H GLN A 44 9.416 -14.116 -0.473 1.00 31.44 H new ATOM 0 HA GLN A 44 11.198 -14.368 1.760 1.00 61.22 H new ATOM 0 HB2 GLN A 44 10.347 -11.851 0.242 1.00 44.10 H new ATOM 0 HB3 GLN A 44 11.763 -12.016 1.261 1.00 44.10 H new ATOM 0 HG2 GLN A 44 12.674 -12.128 -0.893 1.00 20.31 H new ATOM 0 HG3 GLN A 44 12.562 -13.819 -0.448 1.00 20.31 H new ATOM 0 HE21 GLN A 44 11.206 -11.255 -2.491 1.00 42.43 H new ATOM 0 HE22 GLN A 44 10.301 -12.322 -3.569 1.00 42.43 H new ATOM 634 N ARG A 45 9.836 -13.507 3.732 1.00 74.22 N ATOM 635 CA ARG A 45 9.236 -12.862 4.928 1.00 23.34 C ATOM 636 C ARG A 45 9.345 -11.317 4.839 1.00 33.43 C ATOM 637 O ARG A 45 10.447 -10.756 4.766 1.00 31.25 O ATOM 638 CB ARG A 45 9.911 -13.424 6.241 1.00 3.10 C ATOM 639 CG ARG A 45 9.944 -12.482 7.488 1.00 34.13 C ATOM 640 CD ARG A 45 8.561 -12.112 8.066 1.00 53.44 C ATOM 641 NE ARG A 45 7.901 -13.241 8.742 1.00 1.04 N ATOM 642 CZ ARG A 45 7.334 -13.198 9.932 1.00 1.03 C ATOM 643 NH1 ARG A 45 7.316 -12.100 10.639 1.00 73.03 N ATOM 644 NH2 ARG A 45 6.772 -14.256 10.402 1.00 1.31 N ATOM 0 H ARG A 45 10.491 -14.255 3.959 1.00 74.22 H new ATOM 0 HA ARG A 45 8.174 -13.105 4.965 1.00 23.34 H new ATOM 0 HB2 ARG A 45 9.391 -14.339 6.523 1.00 3.10 H new ATOM 0 HB3 ARG A 45 10.937 -13.702 6.001 1.00 3.10 H new ATOM 0 HG2 ARG A 45 10.531 -12.962 8.271 1.00 34.13 H new ATOM 0 HG3 ARG A 45 10.465 -11.564 7.217 1.00 34.13 H new ATOM 0 HD2 ARG A 45 8.676 -11.290 8.772 1.00 53.44 H new ATOM 0 HD3 ARG A 45 7.921 -11.753 7.260 1.00 53.44 H new ATOM 0 HE ARG A 45 7.880 -14.133 8.248 1.00 1.04 H new ATOM 0 HH11 ARG A 45 7.747 -11.251 10.273 1.00 73.03 H new ATOM 0 HH12 ARG A 45 6.871 -12.092 11.557 1.00 73.03 H new ATOM 0 HH21 ARG A 45 6.768 -15.117 9.855 1.00 1.31 H new ATOM 0 HH22 ARG A 45 6.331 -14.234 11.321 1.00 1.31 H new ATOM 658 N VAL A 46 8.178 -10.660 4.810 1.00 71.22 N ATOM 659 CA VAL A 46 8.071 -9.194 4.783 1.00 24.33 C ATOM 660 C VAL A 46 7.589 -8.684 6.159 1.00 63.42 C ATOM 661 O VAL A 46 6.466 -8.983 6.584 1.00 31.44 O ATOM 662 CB VAL A 46 7.093 -8.701 3.648 1.00 71.53 C ATOM 663 CG1 VAL A 46 7.049 -7.153 3.565 1.00 72.52 C ATOM 664 CG2 VAL A 46 7.474 -9.307 2.278 1.00 61.05 C ATOM 0 H VAL A 46 7.275 -11.134 4.805 1.00 71.22 H new ATOM 0 HA VAL A 46 9.058 -8.787 4.565 1.00 24.33 H new ATOM 0 HB VAL A 46 6.095 -9.051 3.910 1.00 71.53 H new ATOM 0 HG11 VAL A 46 6.365 -6.850 2.772 1.00 72.52 H new ATOM 0 HG12 VAL A 46 6.704 -6.747 4.516 1.00 72.52 H new ATOM 0 HG13 VAL A 46 8.047 -6.772 3.348 1.00 72.52 H new ATOM 0 HG21 VAL A 46 6.782 -8.948 1.516 1.00 61.05 H new ATOM 0 HG22 VAL A 46 8.489 -9.006 2.017 1.00 61.05 H new ATOM 0 HG23 VAL A 46 7.421 -10.394 2.334 1.00 61.05 H new ATOM 674 N ASP A 47 8.449 -7.922 6.848 1.00 11.35 N ATOM 675 CA ASP A 47 8.113 -7.292 8.141 1.00 43.54 C ATOM 676 C ASP A 47 7.762 -5.816 7.915 1.00 72.32 C ATOM 677 O ASP A 47 8.403 -5.141 7.100 1.00 33.04 O ATOM 678 CB ASP A 47 9.285 -7.417 9.139 1.00 15.15 C ATOM 679 CG ASP A 47 9.551 -8.867 9.547 1.00 65.23 C ATOM 680 OD1 ASP A 47 8.737 -9.434 10.317 1.00 33.34 O ATOM 681 OD2 ASP A 47 10.561 -9.452 9.113 1.00 4.14 O ATOM 0 H ASP A 47 9.397 -7.722 6.529 1.00 11.35 H new ATOM 0 HA ASP A 47 7.253 -7.808 8.568 1.00 43.54 H new ATOM 0 HB2 ASP A 47 10.186 -6.997 8.692 1.00 15.15 H new ATOM 0 HB3 ASP A 47 9.066 -6.826 10.029 1.00 15.15 H new ATOM 686 N HIS A 48 6.743 -5.330 8.647 1.00 12.02 N ATOM 687 CA HIS A 48 6.277 -3.930 8.565 1.00 32.55 C ATOM 688 C HIS A 48 5.841 -3.532 7.120 1.00 44.55 C ATOM 689 O HIS A 48 6.076 -2.404 6.671 1.00 51.22 O ATOM 690 CB HIS A 48 7.354 -2.957 9.149 1.00 12.30 C ATOM 691 CG HIS A 48 7.576 -3.096 10.636 1.00 64.34 C ATOM 692 ND1 HIS A 48 7.776 -2.020 11.472 1.00 3.31 N ATOM 693 CD2 HIS A 48 7.616 -4.185 11.432 1.00 1.22 C ATOM 694 CE1 HIS A 48 7.928 -2.438 12.707 1.00 64.30 C ATOM 695 NE2 HIS A 48 7.835 -3.748 12.715 1.00 30.32 N ATOM 0 H HIS A 48 6.218 -5.896 9.313 1.00 12.02 H new ATOM 0 HA HIS A 48 5.381 -3.843 9.180 1.00 32.55 H new ATOM 0 HB2 HIS A 48 8.299 -3.129 8.635 1.00 12.30 H new ATOM 0 HB3 HIS A 48 7.056 -1.931 8.932 1.00 12.30 H new ATOM 0 HD2 HIS A 48 7.498 -5.211 11.118 1.00 1.22 H new ATOM 0 HE1 HIS A 48 8.100 -1.811 13.570 1.00 64.30 H new ATOM 0 HE2 HIS A 48 7.913 -4.343 13.540 1.00 30.32 H new ATOM 704 N HIS A 49 5.170 -4.476 6.440 1.00 5.12 N ATOM 705 CA HIS A 49 4.627 -4.295 5.077 1.00 3.41 C ATOM 706 C HIS A 49 3.586 -3.165 5.032 1.00 12.33 C ATOM 707 O HIS A 49 2.649 -3.126 5.839 1.00 13.23 O ATOM 708 CB HIS A 49 3.973 -5.601 4.562 1.00 34.50 C ATOM 709 CG HIS A 49 3.419 -5.515 3.153 1.00 23.01 C ATOM 710 ND1 HIS A 49 4.225 -5.688 2.057 1.00 60.21 N ATOM 711 CD2 HIS A 49 2.154 -5.258 2.726 1.00 72.23 C ATOM 712 CE1 HIS A 49 3.450 -5.530 1.002 1.00 72.54 C ATOM 713 NE2 HIS A 49 2.186 -5.268 1.356 1.00 55.24 N ATOM 0 H HIS A 49 4.985 -5.402 6.825 1.00 5.12 H new ATOM 0 HA HIS A 49 5.467 -4.031 4.434 1.00 3.41 H new ATOM 0 HB2 HIS A 49 4.712 -6.402 4.600 1.00 34.50 H new ATOM 0 HB3 HIS A 49 3.166 -5.880 5.240 1.00 34.50 H new ATOM 0 HD2 HIS A 49 1.289 -5.080 3.348 1.00 72.23 H new ATOM 0 HE1 HIS A 49 3.792 -5.603 -0.020 1.00 72.54 H new ATOM 0 HE2 HIS A 49 1.399 -5.107 0.728 1.00 55.24 H new ATOM 721 N LYS A 50 3.749 -2.280 4.050 1.00 2.35 N ATOM 722 CA LYS A 50 2.844 -1.159 3.814 1.00 2.21 C ATOM 723 C LYS A 50 2.808 -0.824 2.286 1.00 62.33 C ATOM 724 O LYS A 50 3.797 -1.037 1.589 1.00 33.24 O ATOM 725 CB LYS A 50 3.297 0.056 4.677 1.00 62.22 C ATOM 726 CG LYS A 50 4.702 0.595 4.343 1.00 64.34 C ATOM 727 CD LYS A 50 5.140 1.778 5.233 1.00 25.42 C ATOM 728 CE LYS A 50 6.465 2.390 4.753 1.00 42.44 C ATOM 729 NZ LYS A 50 7.569 1.388 4.693 1.00 13.30 N ATOM 0 H LYS A 50 4.524 -2.323 3.388 1.00 2.35 H new ATOM 0 HA LYS A 50 1.828 -1.418 4.112 1.00 2.21 H new ATOM 0 HB2 LYS A 50 2.574 0.862 4.552 1.00 62.22 H new ATOM 0 HB3 LYS A 50 3.274 -0.233 5.728 1.00 62.22 H new ATOM 0 HG2 LYS A 50 5.426 -0.213 4.446 1.00 64.34 H new ATOM 0 HG3 LYS A 50 4.722 0.910 3.300 1.00 64.34 H new ATOM 0 HD2 LYS A 50 4.363 2.543 5.230 1.00 25.42 H new ATOM 0 HD3 LYS A 50 5.248 1.438 6.263 1.00 25.42 H new ATOM 0 HE2 LYS A 50 6.322 2.828 3.765 1.00 42.44 H new ATOM 0 HE3 LYS A 50 6.751 3.201 5.423 1.00 42.44 H new ATOM 0 HZ1 LYS A 50 8.462 1.869 4.463 1.00 13.30 H new ATOM 0 HZ2 LYS A 50 7.658 0.914 5.615 1.00 13.30 H new ATOM 0 HZ3 LYS A 50 7.357 0.681 3.960 1.00 13.30 H new ATOM 743 N TRP A 51 1.675 -0.333 1.736 1.00 64.22 N ATOM 744 CA TRP A 51 0.417 -0.063 2.473 1.00 63.22 C ATOM 745 C TRP A 51 -0.695 -1.064 2.082 1.00 64.42 C ATOM 746 O TRP A 51 -0.891 -1.381 0.906 1.00 12.41 O ATOM 747 CB TRP A 51 -0.051 1.397 2.231 1.00 5.34 C ATOM 748 CG TRP A 51 0.939 2.433 2.715 1.00 14.01 C ATOM 749 CD1 TRP A 51 1.893 3.080 1.976 1.00 61.22 C ATOM 750 CD2 TRP A 51 1.086 2.912 4.063 1.00 44.44 C ATOM 751 NE1 TRP A 51 2.614 3.927 2.777 1.00 41.32 N ATOM 752 CE2 TRP A 51 2.137 3.845 4.060 1.00 54.15 C ATOM 753 CE3 TRP A 51 0.421 2.644 5.272 1.00 24.43 C ATOM 754 CZ2 TRP A 51 2.542 4.514 5.214 1.00 11.11 C ATOM 755 CZ3 TRP A 51 0.827 3.305 6.416 1.00 11.13 C ATOM 756 CH2 TRP A 51 1.879 4.231 6.380 1.00 4.54 C ATOM 0 H TRP A 51 1.607 -0.108 0.744 1.00 64.22 H new ATOM 0 HA TRP A 51 0.619 -0.194 3.536 1.00 63.22 H new ATOM 0 HB2 TRP A 51 -0.226 1.543 1.165 1.00 5.34 H new ATOM 0 HB3 TRP A 51 -1.005 1.553 2.735 1.00 5.34 H new ATOM 0 HD1 TRP A 51 2.054 2.943 0.917 1.00 61.22 H new ATOM 0 HE1 TRP A 51 3.382 4.523 2.468 1.00 41.32 H new ATOM 0 HE3 TRP A 51 -0.392 1.934 5.306 1.00 24.43 H new ATOM 0 HZ2 TRP A 51 3.350 5.230 5.190 1.00 11.11 H new ATOM 0 HZ3 TRP A 51 0.326 3.105 7.352 1.00 11.13 H new ATOM 0 HH2 TRP A 51 2.173 4.732 7.290 1.00 4.54 H new ATOM 767 N VAL A 52 -1.392 -1.550 3.115 1.00 73.11 N ATOM 768 CA VAL A 52 -2.621 -2.368 2.995 1.00 13.42 C ATOM 769 C VAL A 52 -3.740 -1.677 3.789 1.00 72.23 C ATOM 770 O VAL A 52 -3.468 -1.024 4.791 1.00 71.01 O ATOM 771 CB VAL A 52 -2.428 -3.859 3.494 1.00 61.44 C ATOM 772 CG1 VAL A 52 -1.484 -4.650 2.550 1.00 65.13 C ATOM 773 CG2 VAL A 52 -1.930 -3.923 4.966 1.00 4.34 C ATOM 0 H VAL A 52 -1.117 -1.386 4.084 1.00 73.11 H new ATOM 0 HA VAL A 52 -2.879 -2.438 1.938 1.00 13.42 H new ATOM 0 HB VAL A 52 -3.409 -4.334 3.466 1.00 61.44 H new ATOM 0 HG11 VAL A 52 -1.371 -5.669 2.919 1.00 65.13 H new ATOM 0 HG12 VAL A 52 -1.908 -4.672 1.546 1.00 65.13 H new ATOM 0 HG13 VAL A 52 -0.508 -4.165 2.521 1.00 65.13 H new ATOM 0 HG21 VAL A 52 -1.812 -4.964 5.265 1.00 4.34 H new ATOM 0 HG22 VAL A 52 -0.971 -3.411 5.048 1.00 4.34 H new ATOM 0 HG23 VAL A 52 -2.657 -3.439 5.618 1.00 4.34 H new ATOM 783 N ILE A 53 -4.992 -1.791 3.335 1.00 35.14 N ATOM 784 CA ILE A 53 -6.135 -1.096 3.984 1.00 34.34 C ATOM 785 C ILE A 53 -7.095 -2.096 4.674 1.00 32.51 C ATOM 786 O ILE A 53 -6.992 -3.311 4.472 1.00 70.41 O ATOM 787 CB ILE A 53 -6.911 -0.191 2.951 1.00 3.13 C ATOM 788 CG1 ILE A 53 -7.578 -1.052 1.828 1.00 12.24 C ATOM 789 CG2 ILE A 53 -5.960 0.876 2.344 1.00 21.42 C ATOM 790 CD1 ILE A 53 -8.359 -0.267 0.784 1.00 52.25 C ATOM 0 H ILE A 53 -5.251 -2.353 2.524 1.00 35.14 H new ATOM 0 HA ILE A 53 -5.723 -0.449 4.759 1.00 34.34 H new ATOM 0 HB ILE A 53 -7.709 0.324 3.486 1.00 3.13 H new ATOM 0 HG12 ILE A 53 -6.801 -1.624 1.322 1.00 12.24 H new ATOM 0 HG13 ILE A 53 -8.250 -1.771 2.296 1.00 12.24 H new ATOM 0 HG21 ILE A 53 -6.511 1.492 1.633 1.00 21.42 H new ATOM 0 HG22 ILE A 53 -5.565 1.506 3.141 1.00 21.42 H new ATOM 0 HG23 ILE A 53 -5.136 0.380 1.831 1.00 21.42 H new ATOM 0 HD11 ILE A 53 -8.781 -0.955 0.052 1.00 52.25 H new ATOM 0 HD12 ILE A 53 -9.164 0.284 1.270 1.00 52.25 H new ATOM 0 HD13 ILE A 53 -7.692 0.433 0.281 1.00 52.25 H new ATOM 802 N GLN A 54 -8.010 -1.562 5.514 1.00 21.42 N ATOM 803 CA GLN A 54 -9.029 -2.361 6.251 1.00 11.22 C ATOM 804 C GLN A 54 -9.887 -3.269 5.323 1.00 64.11 C ATOM 805 O GLN A 54 -10.221 -4.407 5.685 1.00 44.31 O ATOM 806 CB GLN A 54 -9.937 -1.397 7.067 1.00 20.42 C ATOM 807 CG GLN A 54 -10.954 -2.089 8.006 1.00 1.32 C ATOM 808 CD GLN A 54 -11.938 -1.125 8.674 1.00 75.51 C ATOM 809 OE1 GLN A 54 -12.297 -0.093 8.114 1.00 5.33 O ATOM 810 NE2 GLN A 54 -12.387 -1.448 9.869 1.00 34.12 N ATOM 0 H GLN A 54 -8.067 -0.561 5.704 1.00 21.42 H new ATOM 0 HA GLN A 54 -8.496 -3.037 6.920 1.00 11.22 H new ATOM 0 HB2 GLN A 54 -9.302 -0.743 7.664 1.00 20.42 H new ATOM 0 HB3 GLN A 54 -10.484 -0.761 6.370 1.00 20.42 H new ATOM 0 HG2 GLN A 54 -11.516 -2.828 7.435 1.00 1.32 H new ATOM 0 HG3 GLN A 54 -10.409 -2.630 8.780 1.00 1.32 H new ATOM 0 HE21 GLN A 54 -12.075 -2.311 10.315 1.00 34.12 H new ATOM 0 HE22 GLN A 54 -13.047 -0.836 10.349 1.00 34.12 H new ATOM 819 N GLU A 55 -10.199 -2.774 4.110 1.00 5.31 N ATOM 820 CA GLU A 55 -11.038 -3.498 3.121 1.00 34.21 C ATOM 821 C GLU A 55 -10.301 -4.735 2.520 1.00 35.30 C ATOM 822 O GLU A 55 -10.929 -5.658 2.001 1.00 22.15 O ATOM 823 CB GLU A 55 -11.448 -2.495 2.002 1.00 5.12 C ATOM 824 CG GLU A 55 -12.421 -3.031 0.922 1.00 55.30 C ATOM 825 CD GLU A 55 -13.782 -3.499 1.482 1.00 21.22 C ATOM 826 OE1 GLU A 55 -14.578 -2.644 1.928 1.00 44.45 O ATOM 827 OE2 GLU A 55 -14.060 -4.715 1.485 1.00 62.14 O ATOM 0 H GLU A 55 -9.879 -1.862 3.783 1.00 5.31 H new ATOM 0 HA GLU A 55 -11.925 -3.886 3.622 1.00 34.21 H new ATOM 0 HB2 GLU A 55 -11.906 -1.625 2.473 1.00 5.12 H new ATOM 0 HB3 GLU A 55 -10.542 -2.148 1.505 1.00 5.12 H new ATOM 0 HG2 GLU A 55 -12.593 -2.249 0.182 1.00 55.30 H new ATOM 0 HG3 GLU A 55 -11.948 -3.864 0.402 1.00 55.30 H new ATOM 834 N GLU A 56 -8.957 -4.760 2.633 1.00 43.13 N ATOM 835 CA GLU A 56 -8.104 -5.841 2.071 1.00 21.22 C ATOM 836 C GLU A 56 -7.789 -6.945 3.109 1.00 34.02 C ATOM 837 O GLU A 56 -6.967 -7.829 2.848 1.00 70.51 O ATOM 838 CB GLU A 56 -6.788 -5.231 1.528 1.00 72.11 C ATOM 839 CG GLU A 56 -6.970 -4.309 0.310 1.00 64.11 C ATOM 840 CD GLU A 56 -5.645 -3.751 -0.235 1.00 32.31 C ATOM 841 OE1 GLU A 56 -4.878 -3.168 0.556 1.00 34.51 O ATOM 842 OE2 GLU A 56 -5.368 -3.882 -1.451 1.00 52.02 O ATOM 0 H GLU A 56 -8.427 -4.034 3.115 1.00 43.13 H new ATOM 0 HA GLU A 56 -8.660 -6.314 1.261 1.00 21.22 H new ATOM 0 HB2 GLU A 56 -6.307 -4.667 2.327 1.00 72.11 H new ATOM 0 HB3 GLU A 56 -6.111 -6.041 1.257 1.00 72.11 H new ATOM 0 HG2 GLU A 56 -7.477 -4.861 -0.482 1.00 64.11 H new ATOM 0 HG3 GLU A 56 -7.620 -3.478 0.586 1.00 64.11 H new ATOM 849 N ILE A 57 -8.441 -6.887 4.286 1.00 43.54 N ATOM 850 CA ILE A 57 -8.262 -7.877 5.375 1.00 64.24 C ATOM 851 C ILE A 57 -9.626 -8.502 5.776 1.00 1.21 C ATOM 852 O ILE A 57 -10.624 -7.793 5.911 1.00 5.43 O ATOM 853 CB ILE A 57 -7.565 -7.210 6.630 1.00 64.03 C ATOM 854 CG1 ILE A 57 -6.120 -6.702 6.260 1.00 44.04 C ATOM 855 CG2 ILE A 57 -7.529 -8.183 7.836 1.00 12.33 C ATOM 856 CD1 ILE A 57 -5.373 -5.973 7.370 1.00 60.25 C ATOM 0 H ILE A 57 -9.110 -6.151 4.513 1.00 43.54 H new ATOM 0 HA ILE A 57 -7.614 -8.673 5.008 1.00 64.24 H new ATOM 0 HB ILE A 57 -8.159 -6.346 6.927 1.00 64.03 H new ATOM 0 HG12 ILE A 57 -5.523 -7.558 5.946 1.00 44.04 H new ATOM 0 HG13 ILE A 57 -6.198 -6.036 5.401 1.00 44.04 H new ATOM 0 HG21 ILE A 57 -7.044 -7.696 8.682 1.00 12.33 H new ATOM 0 HG22 ILE A 57 -8.547 -8.460 8.111 1.00 12.33 H new ATOM 0 HG23 ILE A 57 -6.970 -9.079 7.564 1.00 12.33 H new ATOM 0 HD11 ILE A 57 -4.391 -5.668 7.008 1.00 60.25 H new ATOM 0 HD12 ILE A 57 -5.939 -5.092 7.672 1.00 60.25 H new ATOM 0 HD13 ILE A 57 -5.254 -6.638 8.226 1.00 60.25 H new ATOM 868 N LYS A 58 -9.639 -9.837 5.972 1.00 22.13 N ATOM 869 CA LYS A 58 -10.847 -10.601 6.373 1.00 35.44 C ATOM 870 C LYS A 58 -11.229 -10.330 7.845 1.00 33.12 C ATOM 871 O LYS A 58 -12.364 -9.956 8.159 1.00 21.23 O ATOM 872 CB LYS A 58 -10.570 -12.117 6.180 1.00 62.52 C ATOM 873 CG LYS A 58 -11.730 -13.053 6.593 1.00 54.31 C ATOM 874 CD LYS A 58 -11.421 -14.544 6.312 1.00 53.02 C ATOM 875 CE LYS A 58 -10.163 -15.052 7.038 1.00 53.24 C ATOM 876 NZ LYS A 58 -10.251 -14.891 8.513 1.00 0.11 N ATOM 0 H LYS A 58 -8.811 -10.421 5.857 1.00 22.13 H new ATOM 0 HA LYS A 58 -11.681 -10.281 5.748 1.00 35.44 H new ATOM 0 HB2 LYS A 58 -10.334 -12.297 5.131 1.00 62.52 H new ATOM 0 HB3 LYS A 58 -9.684 -12.385 6.756 1.00 62.52 H new ATOM 0 HG2 LYS A 58 -11.937 -12.923 7.655 1.00 54.31 H new ATOM 0 HG3 LYS A 58 -12.633 -12.765 6.055 1.00 54.31 H new ATOM 0 HD2 LYS A 58 -12.276 -15.148 6.615 1.00 53.02 H new ATOM 0 HD3 LYS A 58 -11.295 -14.686 5.239 1.00 53.02 H new ATOM 0 HE2 LYS A 58 -10.010 -16.105 6.799 1.00 53.24 H new ATOM 0 HE3 LYS A 58 -9.291 -14.512 6.668 1.00 53.24 H new ATOM 0 HZ1 LYS A 58 -9.589 -14.151 8.822 1.00 0.11 H new ATOM 0 HZ2 LYS A 58 -11.220 -14.620 8.775 1.00 0.11 H new ATOM 0 HZ3 LYS A 58 -10.006 -15.790 8.976 1.00 0.11 H new ATOM 890 N ASP A 59 -10.243 -10.530 8.727 1.00 43.54 N ATOM 891 CA ASP A 59 -10.388 -10.409 10.194 1.00 22.31 C ATOM 892 C ASP A 59 -10.636 -8.954 10.670 1.00 3.51 C ATOM 893 O ASP A 59 -10.806 -8.733 11.873 1.00 25.43 O ATOM 894 CB ASP A 59 -9.144 -11.022 10.882 1.00 63.31 C ATOM 895 CG ASP A 59 -8.930 -12.494 10.484 1.00 12.45 C ATOM 896 OD1 ASP A 59 -8.491 -12.749 9.341 1.00 12.33 O ATOM 897 OD2 ASP A 59 -9.231 -13.399 11.285 1.00 2.11 O ATOM 0 H ASP A 59 -9.298 -10.787 8.441 1.00 43.54 H new ATOM 0 HA ASP A 59 -11.281 -10.963 10.483 1.00 22.31 H new ATOM 0 HB2 ASP A 59 -8.260 -10.442 10.616 1.00 63.31 H new ATOM 0 HB3 ASP A 59 -9.257 -10.952 11.964 1.00 63.31 H new ATOM 902 N ALA A 60 -10.608 -7.979 9.728 1.00 73.25 N ATOM 903 CA ALA A 60 -10.954 -6.553 9.975 1.00 3.11 C ATOM 904 C ALA A 60 -12.188 -6.339 10.888 1.00 1.05 C ATOM 905 O ALA A 60 -12.148 -5.483 11.760 1.00 12.10 O ATOM 906 CB ALA A 60 -11.144 -5.829 8.639 1.00 22.23 C ATOM 0 H ALA A 60 -10.341 -8.162 8.761 1.00 73.25 H new ATOM 0 HA ALA A 60 -10.114 -6.128 10.524 1.00 3.11 H new ATOM 0 HB1 ALA A 60 -11.397 -4.785 8.824 1.00 22.23 H new ATOM 0 HB2 ALA A 60 -10.221 -5.882 8.062 1.00 22.23 H new ATOM 0 HB3 ALA A 60 -11.949 -6.304 8.079 1.00 22.23 H new ATOM 912 N GLY A 61 -13.293 -7.070 10.626 1.00 30.34 N ATOM 913 CA GLY A 61 -14.412 -7.193 11.590 1.00 45.23 C ATOM 914 C GLY A 61 -15.204 -5.908 11.866 1.00 71.21 C ATOM 915 O GLY A 61 -15.870 -5.814 12.900 1.00 65.40 O ATOM 0 H GLY A 61 -13.436 -7.584 9.757 1.00 30.34 H new ATOM 0 HA2 GLY A 61 -15.103 -7.950 11.220 1.00 45.23 H new ATOM 0 HA3 GLY A 61 -14.013 -7.561 12.535 1.00 45.23 H new ATOM 919 N ASP A 62 -15.093 -4.915 10.955 1.00 71.03 N ATOM 920 CA ASP A 62 -15.684 -3.554 11.096 1.00 41.32 C ATOM 921 C ASP A 62 -15.043 -2.734 12.258 1.00 13.15 C ATOM 922 O ASP A 62 -15.538 -1.662 12.615 1.00 65.41 O ATOM 923 CB ASP A 62 -17.238 -3.611 11.235 1.00 32.13 C ATOM 924 CG ASP A 62 -17.931 -4.219 10.002 1.00 22.24 C ATOM 925 OD1 ASP A 62 -18.089 -5.455 9.935 1.00 63.30 O ATOM 926 OD2 ASP A 62 -18.322 -3.459 9.088 1.00 43.21 O ATOM 0 H ASP A 62 -14.581 -5.034 10.081 1.00 71.03 H new ATOM 0 HA ASP A 62 -15.449 -3.024 10.173 1.00 41.32 H new ATOM 0 HB2 ASP A 62 -17.497 -4.198 12.116 1.00 32.13 H new ATOM 0 HB3 ASP A 62 -17.620 -2.603 11.399 1.00 32.13 H new ATOM 931 N LYS A 63 -13.921 -3.238 12.813 1.00 41.53 N ATOM 932 CA LYS A 63 -13.154 -2.566 13.893 1.00 22.12 C ATOM 933 C LYS A 63 -11.795 -2.060 13.367 1.00 71.25 C ATOM 934 O LYS A 63 -11.343 -2.446 12.281 1.00 64.00 O ATOM 935 CB LYS A 63 -12.902 -3.538 15.090 1.00 51.50 C ATOM 936 CG LYS A 63 -12.112 -4.824 14.728 1.00 43.30 C ATOM 937 CD LYS A 63 -11.498 -5.554 15.946 1.00 32.23 C ATOM 938 CE LYS A 63 -10.387 -4.727 16.630 1.00 65.52 C ATOM 939 NZ LYS A 63 -9.762 -5.439 17.766 1.00 61.14 N ATOM 0 H LYS A 63 -13.516 -4.129 12.525 1.00 41.53 H new ATOM 0 HA LYS A 63 -13.750 -1.720 14.235 1.00 22.12 H new ATOM 0 HB2 LYS A 63 -12.359 -3.001 15.868 1.00 51.50 H new ATOM 0 HB3 LYS A 63 -13.864 -3.826 15.514 1.00 51.50 H new ATOM 0 HG2 LYS A 63 -12.777 -5.511 14.204 1.00 43.30 H new ATOM 0 HG3 LYS A 63 -11.313 -4.563 14.034 1.00 43.30 H new ATOM 0 HD2 LYS A 63 -12.283 -5.771 16.670 1.00 32.23 H new ATOM 0 HD3 LYS A 63 -11.088 -6.511 15.624 1.00 32.23 H new ATOM 0 HE2 LYS A 63 -9.620 -4.479 15.896 1.00 65.52 H new ATOM 0 HE3 LYS A 63 -10.806 -3.785 16.983 1.00 65.52 H new ATOM 0 HZ1 LYS A 63 -9.805 -4.841 18.616 1.00 61.14 H new ATOM 0 HZ2 LYS A 63 -10.272 -6.328 17.942 1.00 61.14 H new ATOM 0 HZ3 LYS A 63 -8.769 -5.649 17.540 1.00 61.14 H new ATOM 953 N THR A 64 -11.129 -1.224 14.176 1.00 71.24 N ATOM 954 CA THR A 64 -9.750 -0.784 13.904 1.00 1.02 C ATOM 955 C THR A 64 -8.783 -1.867 14.413 1.00 12.53 C ATOM 956 O THR A 64 -8.774 -2.169 15.610 1.00 43.02 O ATOM 957 CB THR A 64 -9.415 0.570 14.604 1.00 50.40 C ATOM 958 OG1 THR A 64 -10.382 1.555 14.226 1.00 13.32 O ATOM 959 CG2 THR A 64 -7.998 1.072 14.248 1.00 4.13 C ATOM 0 H THR A 64 -11.526 -0.835 15.031 1.00 71.24 H new ATOM 0 HA THR A 64 -9.646 -0.633 12.829 1.00 1.02 H new ATOM 0 HB THR A 64 -9.446 0.404 15.681 1.00 50.40 H new ATOM 0 HG1 THR A 64 -10.173 2.405 14.667 1.00 13.32 H new ATOM 0 HG21 THR A 64 -7.808 2.017 14.757 1.00 4.13 H new ATOM 0 HG22 THR A 64 -7.260 0.334 14.565 1.00 4.13 H new ATOM 0 HG23 THR A 64 -7.924 1.219 13.171 1.00 4.13 H new ATOM 967 N LEU A 65 -8.000 -2.456 13.508 1.00 34.13 N ATOM 968 CA LEU A 65 -7.026 -3.505 13.861 1.00 42.13 C ATOM 969 C LEU A 65 -5.801 -2.881 14.571 1.00 23.14 C ATOM 970 O LEU A 65 -5.094 -2.046 14.010 1.00 33.03 O ATOM 971 CB LEU A 65 -6.629 -4.281 12.587 1.00 23.54 C ATOM 972 CG LEU A 65 -7.805 -5.020 11.877 1.00 1.01 C ATOM 973 CD1 LEU A 65 -7.378 -5.556 10.496 1.00 22.24 C ATOM 974 CD2 LEU A 65 -8.374 -6.148 12.774 1.00 33.15 C ATOM 0 H LEU A 65 -8.018 -2.226 12.515 1.00 34.13 H new ATOM 0 HA LEU A 65 -7.474 -4.211 14.560 1.00 42.13 H new ATOM 0 HB2 LEU A 65 -6.177 -3.585 11.881 1.00 23.54 H new ATOM 0 HB3 LEU A 65 -5.864 -5.012 12.848 1.00 23.54 H new ATOM 0 HG LEU A 65 -8.603 -4.296 11.711 1.00 1.01 H new ATOM 0 HD11 LEU A 65 -8.220 -6.066 10.027 1.00 22.24 H new ATOM 0 HD12 LEU A 65 -7.060 -4.725 9.866 1.00 22.24 H new ATOM 0 HD13 LEU A 65 -6.552 -6.256 10.617 1.00 22.24 H new ATOM 0 HD21 LEU A 65 -9.193 -6.647 12.255 1.00 33.15 H new ATOM 0 HD22 LEU A 65 -7.588 -6.871 12.992 1.00 33.15 H new ATOM 0 HD23 LEU A 65 -8.742 -5.720 13.707 1.00 33.15 H new ATOM 986 N GLN A 66 -5.587 -3.292 15.817 1.00 14.12 N ATOM 987 CA GLN A 66 -4.627 -2.666 16.750 1.00 53.01 C ATOM 988 C GLN A 66 -3.425 -3.613 17.019 1.00 44.34 C ATOM 989 O GLN A 66 -3.567 -4.822 16.840 1.00 54.41 O ATOM 990 CB GLN A 66 -5.398 -2.312 18.059 1.00 21.41 C ATOM 991 CG GLN A 66 -6.547 -1.299 17.842 1.00 42.34 C ATOM 992 CD GLN A 66 -7.462 -1.130 19.056 1.00 22.21 C ATOM 993 OE1 GLN A 66 -8.450 -1.848 19.213 1.00 73.10 O ATOM 994 NE2 GLN A 66 -7.153 -0.182 19.917 1.00 11.41 N ATOM 0 H GLN A 66 -6.081 -4.086 16.225 1.00 14.12 H new ATOM 0 HA GLN A 66 -4.209 -1.756 16.320 1.00 53.01 H new ATOM 0 HB2 GLN A 66 -5.806 -3.226 18.490 1.00 21.41 H new ATOM 0 HB3 GLN A 66 -4.696 -1.903 18.786 1.00 21.41 H new ATOM 0 HG2 GLN A 66 -6.120 -0.330 17.584 1.00 42.34 H new ATOM 0 HG3 GLN A 66 -7.146 -1.621 16.990 1.00 42.34 H new ATOM 0 HE21 GLN A 66 -6.329 0.398 19.762 1.00 11.41 H new ATOM 0 HE22 GLN A 66 -7.738 -0.028 20.738 1.00 11.41 H new ATOM 1003 N PRO A 67 -2.216 -3.067 17.413 1.00 31.22 N ATOM 1004 CA PRO A 67 -1.008 -3.882 17.751 1.00 41.54 C ATOM 1005 C PRO A 67 -1.291 -5.105 18.676 1.00 70.44 C ATOM 1006 O PRO A 67 -1.630 -4.942 19.849 1.00 3.33 O ATOM 1007 CB PRO A 67 -0.086 -2.853 18.445 1.00 11.32 C ATOM 1008 CG PRO A 67 -0.418 -1.557 17.770 1.00 12.43 C ATOM 1009 CD PRO A 67 -1.908 -1.607 17.493 1.00 43.25 C ATOM 0 HA PRO A 67 -0.580 -4.346 16.862 1.00 41.54 H new ATOM 0 HB2 PRO A 67 -0.277 -2.805 19.517 1.00 11.32 H new ATOM 0 HB3 PRO A 67 0.966 -3.111 18.320 1.00 11.32 H new ATOM 0 HG2 PRO A 67 -0.167 -0.709 18.407 1.00 12.43 H new ATOM 0 HG3 PRO A 67 0.148 -1.441 16.846 1.00 12.43 H new ATOM 0 HD2 PRO A 67 -2.477 -1.123 18.286 1.00 43.25 H new ATOM 0 HD3 PRO A 67 -2.158 -1.096 16.563 1.00 43.25 H new ATOM 1017 N GLY A 68 -1.143 -6.318 18.117 1.00 73.31 N ATOM 1018 CA GLY A 68 -1.469 -7.578 18.833 1.00 13.24 C ATOM 1019 C GLY A 68 -2.613 -8.379 18.195 1.00 42.51 C ATOM 1020 O GLY A 68 -2.851 -9.530 18.578 1.00 63.41 O ATOM 0 H GLY A 68 -0.799 -6.460 17.167 1.00 73.31 H new ATOM 0 HA2 GLY A 68 -0.577 -8.204 18.871 1.00 13.24 H new ATOM 0 HA3 GLY A 68 -1.735 -7.340 19.863 1.00 13.24 H new ATOM 1024 N ASP A 69 -3.338 -7.769 17.240 1.00 22.23 N ATOM 1025 CA ASP A 69 -4.342 -8.487 16.419 1.00 13.24 C ATOM 1026 C ASP A 69 -3.665 -9.282 15.273 1.00 52.21 C ATOM 1027 O ASP A 69 -2.938 -8.720 14.453 1.00 21.23 O ATOM 1028 CB ASP A 69 -5.412 -7.500 15.854 1.00 40.33 C ATOM 1029 CG ASP A 69 -6.381 -6.949 16.929 1.00 61.40 C ATOM 1030 OD1 ASP A 69 -6.623 -7.637 17.948 1.00 64.34 O ATOM 1031 OD2 ASP A 69 -6.949 -5.852 16.740 1.00 23.24 O ATOM 0 H ASP A 69 -3.250 -6.778 17.014 1.00 22.23 H new ATOM 0 HA ASP A 69 -4.850 -9.202 17.067 1.00 13.24 H new ATOM 0 HB2 ASP A 69 -4.904 -6.664 15.373 1.00 40.33 H new ATOM 0 HB3 ASP A 69 -5.991 -8.008 15.082 1.00 40.33 H new ATOM 1036 N GLN A 70 -3.931 -10.600 15.225 1.00 61.43 N ATOM 1037 CA GLN A 70 -3.424 -11.483 14.149 1.00 4.42 C ATOM 1038 C GLN A 70 -4.539 -11.674 13.097 1.00 3.34 C ATOM 1039 O GLN A 70 -5.636 -12.143 13.421 1.00 43.51 O ATOM 1040 CB GLN A 70 -2.959 -12.855 14.717 1.00 43.15 C ATOM 1041 CG GLN A 70 -2.475 -13.855 13.645 1.00 45.14 C ATOM 1042 CD GLN A 70 -1.984 -15.182 14.230 1.00 2.42 C ATOM 1043 OE1 GLN A 70 -2.754 -16.120 14.412 1.00 50.10 O ATOM 1044 NE2 GLN A 70 -0.702 -15.273 14.520 1.00 63.40 N ATOM 0 H GLN A 70 -4.498 -11.083 15.922 1.00 61.43 H new ATOM 0 HA GLN A 70 -2.555 -11.018 13.683 1.00 4.42 H new ATOM 0 HB2 GLN A 70 -2.152 -12.685 15.430 1.00 43.15 H new ATOM 0 HB3 GLN A 70 -3.784 -13.304 15.270 1.00 43.15 H new ATOM 0 HG2 GLN A 70 -3.290 -14.053 12.949 1.00 45.14 H new ATOM 0 HG3 GLN A 70 -1.669 -13.399 13.071 1.00 45.14 H new ATOM 0 HE21 GLN A 70 -0.085 -14.477 14.358 1.00 63.40 H new ATOM 0 HE22 GLN A 70 -0.327 -16.139 14.906 1.00 63.40 H new ATOM 1053 N VAL A 71 -4.245 -11.312 11.843 1.00 41.31 N ATOM 1054 CA VAL A 71 -5.233 -11.277 10.739 1.00 0.32 C ATOM 1055 C VAL A 71 -4.820 -12.193 9.556 1.00 35.52 C ATOM 1056 O VAL A 71 -3.755 -12.807 9.572 1.00 74.45 O ATOM 1057 CB VAL A 71 -5.408 -9.797 10.222 1.00 53.12 C ATOM 1058 CG1 VAL A 71 -5.894 -8.856 11.353 1.00 73.35 C ATOM 1059 CG2 VAL A 71 -4.102 -9.255 9.574 1.00 2.24 C ATOM 0 H VAL A 71 -3.308 -11.031 11.555 1.00 41.31 H new ATOM 0 HA VAL A 71 -6.177 -11.650 11.135 1.00 0.32 H new ATOM 0 HB VAL A 71 -6.176 -9.818 9.449 1.00 53.12 H new ATOM 0 HG11 VAL A 71 -6.004 -7.844 10.962 1.00 73.35 H new ATOM 0 HG12 VAL A 71 -6.855 -9.206 11.730 1.00 73.35 H new ATOM 0 HG13 VAL A 71 -5.165 -8.855 12.164 1.00 73.35 H new ATOM 0 HG21 VAL A 71 -4.263 -8.233 9.231 1.00 2.24 H new ATOM 0 HG22 VAL A 71 -3.298 -9.268 10.310 1.00 2.24 H new ATOM 0 HG23 VAL A 71 -3.828 -9.884 8.727 1.00 2.24 H new ATOM 1069 N ILE A 72 -5.706 -12.288 8.547 1.00 3.32 N ATOM 1070 CA ILE A 72 -5.423 -12.937 7.243 1.00 70.50 C ATOM 1071 C ILE A 72 -5.638 -11.904 6.105 1.00 24.30 C ATOM 1072 O ILE A 72 -6.623 -11.148 6.120 1.00 23.11 O ATOM 1073 CB ILE A 72 -6.344 -14.199 7.004 1.00 2.32 C ATOM 1074 CG1 ILE A 72 -6.167 -15.261 8.144 1.00 41.30 C ATOM 1075 CG2 ILE A 72 -6.097 -14.836 5.609 1.00 4.32 C ATOM 1076 CD1 ILE A 72 -4.781 -15.888 8.243 1.00 51.32 C ATOM 0 H ILE A 72 -6.652 -11.913 8.611 1.00 3.32 H new ATOM 0 HA ILE A 72 -4.389 -13.282 7.249 1.00 70.50 H new ATOM 0 HB ILE A 72 -7.376 -13.850 7.028 1.00 2.32 H new ATOM 0 HG12 ILE A 72 -6.403 -14.788 9.098 1.00 41.30 H new ATOM 0 HG13 ILE A 72 -6.897 -16.056 7.993 1.00 41.30 H new ATOM 0 HG21 ILE A 72 -6.749 -15.700 5.483 1.00 4.32 H new ATOM 0 HG22 ILE A 72 -6.312 -14.103 4.831 1.00 4.32 H new ATOM 0 HG23 ILE A 72 -5.057 -15.152 5.532 1.00 4.32 H new ATOM 0 HD11 ILE A 72 -4.765 -16.607 9.062 1.00 51.32 H new ATOM 0 HD12 ILE A 72 -4.544 -16.396 7.308 1.00 51.32 H new ATOM 0 HD13 ILE A 72 -4.042 -15.109 8.430 1.00 51.32 H new ATOM 1088 N LEU A 73 -4.712 -11.884 5.132 1.00 11.22 N ATOM 1089 CA LEU A 73 -4.744 -10.943 3.992 1.00 32.14 C ATOM 1090 C LEU A 73 -5.669 -11.459 2.857 1.00 0.22 C ATOM 1091 O LEU A 73 -5.441 -12.545 2.304 1.00 2.42 O ATOM 1092 CB LEU A 73 -3.298 -10.739 3.454 1.00 40.42 C ATOM 1093 CG LEU A 73 -2.245 -10.227 4.497 1.00 34.31 C ATOM 1094 CD1 LEU A 73 -0.816 -10.232 3.905 1.00 70.30 C ATOM 1095 CD2 LEU A 73 -2.621 -8.823 5.039 1.00 41.34 C ATOM 0 H LEU A 73 -3.916 -12.521 5.111 1.00 11.22 H new ATOM 0 HA LEU A 73 -5.147 -9.992 4.339 1.00 32.14 H new ATOM 0 HB2 LEU A 73 -2.946 -11.687 3.046 1.00 40.42 H new ATOM 0 HB3 LEU A 73 -3.336 -10.030 2.627 1.00 40.42 H new ATOM 0 HG LEU A 73 -2.257 -10.920 5.338 1.00 34.31 H new ATOM 0 HD11 LEU A 73 -0.111 -9.872 4.654 1.00 70.30 H new ATOM 0 HD12 LEU A 73 -0.547 -11.247 3.612 1.00 70.30 H new ATOM 0 HD13 LEU A 73 -0.782 -9.581 3.031 1.00 70.30 H new ATOM 0 HD21 LEU A 73 -1.870 -8.498 5.759 1.00 41.34 H new ATOM 0 HD22 LEU A 73 -2.662 -8.113 4.213 1.00 41.34 H new ATOM 0 HD23 LEU A 73 -3.595 -8.870 5.526 1.00 41.34 H new ATOM 1107 N GLU A 74 -6.722 -10.677 2.535 1.00 54.14 N ATOM 1108 CA GLU A 74 -7.603 -10.928 1.366 1.00 5.31 C ATOM 1109 C GLU A 74 -6.983 -10.381 0.064 1.00 23.04 C ATOM 1110 O GLU A 74 -7.290 -10.869 -1.030 1.00 12.12 O ATOM 1111 CB GLU A 74 -9.006 -10.309 1.593 1.00 72.53 C ATOM 1112 CG GLU A 74 -9.802 -10.963 2.732 1.00 55.52 C ATOM 1113 CD GLU A 74 -10.086 -12.461 2.501 1.00 71.40 C ATOM 1114 OE1 GLU A 74 -10.983 -12.782 1.694 1.00 74.11 O ATOM 1115 OE2 GLU A 74 -9.420 -13.318 3.123 1.00 41.35 O ATOM 0 H GLU A 74 -6.988 -9.854 3.075 1.00 54.14 H new ATOM 0 HA GLU A 74 -7.708 -12.008 1.261 1.00 5.31 H new ATOM 0 HB2 GLU A 74 -8.892 -9.246 1.807 1.00 72.53 H new ATOM 0 HB3 GLU A 74 -9.580 -10.389 0.670 1.00 72.53 H new ATOM 0 HG2 GLU A 74 -9.250 -10.845 3.665 1.00 55.52 H new ATOM 0 HG3 GLU A 74 -10.748 -10.436 2.853 1.00 55.52 H new ATOM 1122 N ALA A 75 -6.131 -9.351 0.181 1.00 53.22 N ATOM 1123 CA ALA A 75 -5.358 -8.824 -0.961 1.00 34.22 C ATOM 1124 C ALA A 75 -4.092 -9.659 -1.206 1.00 3.12 C ATOM 1125 O ALA A 75 -3.550 -10.285 -0.282 1.00 23.14 O ATOM 1126 CB ALA A 75 -4.966 -7.362 -0.720 1.00 21.13 C ATOM 0 H ALA A 75 -5.957 -8.862 1.059 1.00 53.22 H new ATOM 0 HA ALA A 75 -5.995 -8.885 -1.844 1.00 34.22 H new ATOM 0 HB1 ALA A 75 -4.397 -6.992 -1.573 1.00 21.13 H new ATOM 0 HB2 ALA A 75 -5.866 -6.760 -0.596 1.00 21.13 H new ATOM 0 HB3 ALA A 75 -4.356 -7.293 0.181 1.00 21.13 H new ATOM 1132 N SER A 76 -3.622 -9.646 -2.457 1.00 43.43 N ATOM 1133 CA SER A 76 -2.350 -10.275 -2.833 1.00 11.34 C ATOM 1134 C SER A 76 -1.614 -9.427 -3.884 1.00 23.42 C ATOM 1135 O SER A 76 -2.159 -9.118 -4.949 1.00 25.43 O ATOM 1136 CB SER A 76 -2.600 -11.694 -3.387 1.00 31.31 C ATOM 1137 OG SER A 76 -1.392 -12.335 -3.736 1.00 13.33 O ATOM 0 H SER A 76 -4.109 -9.202 -3.235 1.00 43.43 H new ATOM 0 HA SER A 76 -1.726 -10.344 -1.942 1.00 11.34 H new ATOM 0 HB2 SER A 76 -3.126 -12.289 -2.641 1.00 31.31 H new ATOM 0 HB3 SER A 76 -3.247 -11.635 -4.262 1.00 31.31 H new ATOM 0 HG SER A 76 -1.585 -13.231 -4.081 1.00 13.33 H new ATOM 1143 N HIS A 77 -0.367 -9.061 -3.562 1.00 21.04 N ATOM 1144 CA HIS A 77 0.573 -8.398 -4.490 1.00 63.52 C ATOM 1145 C HIS A 77 1.667 -9.403 -4.936 1.00 52.15 C ATOM 1146 O HIS A 77 2.270 -9.253 -6.005 1.00 30.34 O ATOM 1147 CB HIS A 77 1.218 -7.167 -3.782 1.00 64.32 C ATOM 1148 CG HIS A 77 0.222 -6.131 -3.274 1.00 23.31 C ATOM 1149 ND1 HIS A 77 0.169 -4.863 -3.800 1.00 22.52 N ATOM 1150 CD2 HIS A 77 -0.700 -6.217 -2.269 1.00 40.12 C ATOM 1151 CE1 HIS A 77 -0.760 -4.217 -3.116 1.00 23.43 C ATOM 1152 NE2 HIS A 77 -1.314 -4.995 -2.181 1.00 32.42 N ATOM 0 H HIS A 77 0.029 -9.218 -2.635 1.00 21.04 H new ATOM 0 HA HIS A 77 0.035 -8.056 -5.374 1.00 63.52 H new ATOM 0 HB2 HIS A 77 1.815 -7.520 -2.941 1.00 64.32 H new ATOM 0 HB3 HIS A 77 1.903 -6.682 -4.478 1.00 64.32 H new ATOM 0 HD2 HIS A 77 -0.906 -7.084 -1.659 1.00 40.12 H new ATOM 0 HE1 HIS A 77 -1.037 -3.188 -3.291 1.00 23.43 H new ATOM 0 HE2 HIS A 77 -2.051 -4.730 -1.528 1.00 32.42 H new ATOM 1160 N MET A 78 1.910 -10.429 -4.088 1.00 42.42 N ATOM 1161 CA MET A 78 2.936 -11.477 -4.322 1.00 22.53 C ATOM 1162 C MET A 78 2.315 -12.895 -4.204 1.00 61.31 C ATOM 1163 O MET A 78 1.214 -13.056 -3.674 1.00 44.03 O ATOM 1164 CB MET A 78 4.091 -11.332 -3.288 1.00 42.32 C ATOM 1165 CG MET A 78 4.694 -9.922 -3.183 1.00 71.42 C ATOM 1166 SD MET A 78 6.062 -9.833 -2.005 1.00 43.43 S ATOM 1167 CE MET A 78 5.262 -10.343 -0.480 1.00 13.41 C ATOM 0 H MET A 78 1.397 -10.556 -3.215 1.00 42.42 H new ATOM 0 HA MET A 78 3.328 -11.348 -5.331 1.00 22.53 H new ATOM 0 HB2 MET A 78 3.719 -11.626 -2.306 1.00 42.32 H new ATOM 0 HB3 MET A 78 4.884 -12.032 -3.551 1.00 42.32 H new ATOM 0 HG2 MET A 78 5.045 -9.608 -4.166 1.00 71.42 H new ATOM 0 HG3 MET A 78 3.916 -9.220 -2.883 1.00 71.42 H new ATOM 0 HE1 MET A 78 5.369 -9.557 0.267 1.00 13.41 H new ATOM 0 HE2 MET A 78 4.204 -10.524 -0.667 1.00 13.41 H new ATOM 0 HE3 MET A 78 5.727 -11.258 -0.113 1.00 13.41 H new ATOM 1177 N LYS A 79 3.042 -13.920 -4.700 1.00 2.54 N ATOM 1178 CA LYS A 79 2.636 -15.345 -4.552 1.00 64.32 C ATOM 1179 C LYS A 79 2.580 -15.784 -3.056 1.00 31.43 C ATOM 1180 O LYS A 79 3.539 -15.585 -2.297 1.00 13.12 O ATOM 1181 CB LYS A 79 3.555 -16.319 -5.375 1.00 3.34 C ATOM 1182 CG LYS A 79 5.081 -16.318 -5.030 1.00 55.14 C ATOM 1183 CD LYS A 79 5.866 -15.120 -5.630 1.00 63.13 C ATOM 1184 CE LYS A 79 5.853 -15.109 -7.173 1.00 64.45 C ATOM 1185 NZ LYS A 79 6.597 -13.956 -7.739 1.00 13.11 N ATOM 0 H LYS A 79 3.917 -13.792 -5.209 1.00 2.54 H new ATOM 0 HA LYS A 79 1.629 -15.414 -4.964 1.00 64.32 H new ATOM 0 HB2 LYS A 79 3.178 -17.333 -5.242 1.00 3.34 H new ATOM 0 HB3 LYS A 79 3.447 -16.075 -6.432 1.00 3.34 H new ATOM 0 HG2 LYS A 79 5.197 -16.309 -3.946 1.00 55.14 H new ATOM 0 HG3 LYS A 79 5.525 -17.246 -5.390 1.00 55.14 H new ATOM 0 HD2 LYS A 79 5.436 -14.189 -5.261 1.00 63.13 H new ATOM 0 HD3 LYS A 79 6.898 -15.156 -5.280 1.00 63.13 H new ATOM 0 HE2 LYS A 79 6.290 -16.036 -7.544 1.00 64.45 H new ATOM 0 HE3 LYS A 79 4.822 -15.080 -7.524 1.00 64.45 H new ATOM 0 HZ1 LYS A 79 6.559 -13.994 -8.778 1.00 13.11 H new ATOM 0 HZ2 LYS A 79 6.166 -13.069 -7.409 1.00 13.11 H new ATOM 0 HZ3 LYS A 79 7.588 -13.996 -7.428 1.00 13.11 H new ATOM 1199 N GLY A 80 1.435 -16.369 -2.650 1.00 64.34 N ATOM 1200 CA GLY A 80 1.212 -16.824 -1.264 1.00 31.52 C ATOM 1201 C GLY A 80 0.883 -15.698 -0.274 1.00 1.34 C ATOM 1202 O GLY A 80 0.951 -15.909 0.940 1.00 11.54 O ATOM 0 H GLY A 80 0.643 -16.538 -3.270 1.00 64.34 H new ATOM 0 HA2 GLY A 80 0.396 -17.547 -1.258 1.00 31.52 H new ATOM 0 HA3 GLY A 80 2.104 -17.347 -0.918 1.00 31.52 H new ATOM 1206 N MET A 81 0.530 -14.497 -0.785 1.00 21.14 N ATOM 1207 CA MET A 81 0.143 -13.344 0.065 1.00 4.22 C ATOM 1208 C MET A 81 -1.362 -13.418 0.440 1.00 12.54 C ATOM 1209 O MET A 81 -1.740 -13.111 1.578 1.00 32.21 O ATOM 1210 CB MET A 81 0.483 -12.007 -0.641 1.00 14.20 C ATOM 1211 CG MET A 81 0.249 -10.758 0.215 1.00 22.51 C ATOM 1212 SD MET A 81 0.749 -9.243 -0.624 1.00 63.51 S ATOM 1213 CE MET A 81 0.402 -8.015 0.633 1.00 24.03 C ATOM 0 H MET A 81 0.505 -14.299 -1.785 1.00 21.14 H new ATOM 0 HA MET A 81 0.718 -13.389 0.990 1.00 4.22 H new ATOM 0 HB2 MET A 81 1.528 -12.030 -0.950 1.00 14.20 H new ATOM 0 HB3 MET A 81 -0.116 -11.927 -1.548 1.00 14.20 H new ATOM 0 HG2 MET A 81 -0.807 -10.693 0.476 1.00 22.51 H new ATOM 0 HG3 MET A 81 0.803 -10.852 1.149 1.00 22.51 H new ATOM 0 HE1 MET A 81 0.560 -7.018 0.221 1.00 24.03 H new ATOM 0 HE2 MET A 81 -0.633 -8.112 0.961 1.00 24.03 H new ATOM 0 HE3 MET A 81 1.067 -8.166 1.483 1.00 24.03 H new ATOM 1223 N LYS A 82 -2.215 -13.805 -0.533 1.00 23.22 N ATOM 1224 CA LYS A 82 -3.616 -14.197 -0.249 1.00 51.42 C ATOM 1225 C LYS A 82 -3.621 -15.499 0.577 1.00 1.41 C ATOM 1226 O LYS A 82 -3.105 -16.533 0.128 1.00 51.03 O ATOM 1227 CB LYS A 82 -4.448 -14.381 -1.561 1.00 30.01 C ATOM 1228 CG LYS A 82 -5.885 -14.941 -1.355 1.00 54.44 C ATOM 1229 CD LYS A 82 -6.738 -14.087 -0.385 1.00 54.14 C ATOM 1230 CE LYS A 82 -8.105 -14.709 -0.060 1.00 1.30 C ATOM 1231 NZ LYS A 82 -8.963 -14.851 -1.263 1.00 43.33 N ATOM 0 H LYS A 82 -1.961 -13.855 -1.520 1.00 23.22 H new ATOM 0 HA LYS A 82 -4.087 -13.395 0.319 1.00 51.42 H new ATOM 0 HB2 LYS A 82 -4.519 -13.418 -2.067 1.00 30.01 H new ATOM 0 HB3 LYS A 82 -3.905 -15.052 -2.227 1.00 30.01 H new ATOM 0 HG2 LYS A 82 -6.389 -14.996 -2.320 1.00 54.44 H new ATOM 0 HG3 LYS A 82 -5.820 -15.959 -0.971 1.00 54.44 H new ATOM 0 HD2 LYS A 82 -6.184 -13.943 0.542 1.00 54.14 H new ATOM 0 HD3 LYS A 82 -6.891 -13.100 -0.822 1.00 54.14 H new ATOM 0 HE2 LYS A 82 -7.956 -15.689 0.395 1.00 1.30 H new ATOM 0 HE3 LYS A 82 -8.617 -14.090 0.677 1.00 1.30 H new ATOM 0 HZ1 LYS A 82 -9.873 -15.275 -0.992 1.00 43.33 H new ATOM 0 HZ2 LYS A 82 -9.129 -13.914 -1.684 1.00 43.33 H new ATOM 0 HZ3 LYS A 82 -8.489 -15.463 -1.957 1.00 43.33 H new ATOM 1245 N GLY A 83 -4.195 -15.427 1.787 1.00 54.15 N ATOM 1246 CA GLY A 83 -4.210 -16.559 2.712 1.00 70.13 C ATOM 1247 C GLY A 83 -3.024 -16.553 3.681 1.00 30.42 C ATOM 1248 O GLY A 83 -2.936 -17.427 4.547 1.00 41.11 O ATOM 0 H GLY A 83 -4.656 -14.590 2.145 1.00 54.15 H new ATOM 0 HA2 GLY A 83 -5.139 -16.543 3.282 1.00 70.13 H new ATOM 0 HA3 GLY A 83 -4.202 -17.488 2.142 1.00 70.13 H new ATOM 1252 N ALA A 84 -2.102 -15.571 3.543 1.00 1.21 N ATOM 1253 CA ALA A 84 -0.954 -15.418 4.459 1.00 24.44 C ATOM 1254 C ALA A 84 -1.398 -14.890 5.841 1.00 1.25 C ATOM 1255 O ALA A 84 -2.236 -13.981 5.931 1.00 43.22 O ATOM 1256 CB ALA A 84 0.113 -14.486 3.855 1.00 44.25 C ATOM 0 H ALA A 84 -2.134 -14.871 2.801 1.00 1.21 H new ATOM 0 HA ALA A 84 -0.518 -16.407 4.597 1.00 24.44 H new ATOM 0 HB1 ALA A 84 0.948 -14.390 4.549 1.00 44.25 H new ATOM 0 HB2 ALA A 84 0.470 -14.904 2.914 1.00 44.25 H new ATOM 0 HB3 ALA A 84 -0.323 -13.503 3.674 1.00 44.25 H new ATOM 1262 N THR A 85 -0.825 -15.474 6.904 1.00 2.30 N ATOM 1263 CA THR A 85 -1.067 -15.039 8.291 1.00 72.41 C ATOM 1264 C THR A 85 -0.224 -13.783 8.592 1.00 52.23 C ATOM 1265 O THR A 85 1.005 -13.846 8.603 1.00 61.03 O ATOM 1266 CB THR A 85 -0.730 -16.177 9.317 1.00 10.31 C ATOM 1267 OG1 THR A 85 -1.503 -17.349 9.009 1.00 14.44 O ATOM 1268 CG2 THR A 85 -1.010 -15.754 10.773 1.00 24.32 C ATOM 0 H THR A 85 -0.181 -16.261 6.828 1.00 2.30 H new ATOM 0 HA THR A 85 -2.126 -14.803 8.396 1.00 72.41 H new ATOM 0 HB THR A 85 0.336 -16.387 9.230 1.00 10.31 H new ATOM 0 HG1 THR A 85 -1.290 -18.059 9.650 1.00 14.44 H new ATOM 0 HG21 THR A 85 -0.761 -16.575 11.445 1.00 24.32 H new ATOM 0 HG22 THR A 85 -0.402 -14.884 11.022 1.00 24.32 H new ATOM 0 HG23 THR A 85 -2.065 -15.503 10.882 1.00 24.32 H new ATOM 1276 N ALA A 86 -0.899 -12.653 8.830 1.00 44.53 N ATOM 1277 CA ALA A 86 -0.254 -11.352 9.096 1.00 23.25 C ATOM 1278 C ALA A 86 -0.521 -10.928 10.547 1.00 32.34 C ATOM 1279 O ALA A 86 -1.464 -11.405 11.175 1.00 24.13 O ATOM 1280 CB ALA A 86 -0.771 -10.299 8.100 1.00 34.10 C ATOM 0 H ALA A 86 -1.918 -12.610 8.845 1.00 44.53 H new ATOM 0 HA ALA A 86 0.824 -11.442 8.962 1.00 23.25 H new ATOM 0 HB1 ALA A 86 -0.291 -9.341 8.301 1.00 34.10 H new ATOM 0 HB2 ALA A 86 -0.538 -10.615 7.083 1.00 34.10 H new ATOM 0 HB3 ALA A 86 -1.850 -10.194 8.209 1.00 34.10 H new ATOM 1286 N GLU A 87 0.334 -10.062 11.086 1.00 42.14 N ATOM 1287 CA GLU A 87 0.162 -9.507 12.444 1.00 24.33 C ATOM 1288 C GLU A 87 0.284 -7.969 12.372 1.00 61.10 C ATOM 1289 O GLU A 87 1.225 -7.449 11.765 1.00 44.44 O ATOM 1290 CB GLU A 87 1.228 -10.143 13.394 1.00 23.42 C ATOM 1291 CG GLU A 87 0.908 -10.114 14.911 1.00 24.32 C ATOM 1292 CD GLU A 87 0.879 -8.713 15.550 1.00 22.42 C ATOM 1293 OE1 GLU A 87 1.963 -8.124 15.749 1.00 22.44 O ATOM 1294 OE2 GLU A 87 -0.217 -8.190 15.830 1.00 65.35 O ATOM 0 H GLU A 87 1.165 -9.721 10.603 1.00 42.14 H new ATOM 0 HA GLU A 87 -0.823 -9.746 12.846 1.00 24.33 H new ATOM 0 HB2 GLU A 87 1.374 -11.181 13.096 1.00 23.42 H new ATOM 0 HB3 GLU A 87 2.176 -9.629 13.235 1.00 23.42 H new ATOM 0 HG2 GLU A 87 -0.060 -10.588 15.071 1.00 24.32 H new ATOM 0 HG3 GLU A 87 1.649 -10.719 15.434 1.00 24.32 H new ATOM 1301 N ILE A 88 -0.669 -7.261 12.997 1.00 64.35 N ATOM 1302 CA ILE A 88 -0.733 -5.786 12.968 1.00 14.35 C ATOM 1303 C ILE A 88 0.361 -5.171 13.880 1.00 40.25 C ATOM 1304 O ILE A 88 0.269 -5.250 15.109 1.00 21.21 O ATOM 1305 CB ILE A 88 -2.149 -5.261 13.430 1.00 15.15 C ATOM 1306 CG1 ILE A 88 -3.308 -5.993 12.677 1.00 51.34 C ATOM 1307 CG2 ILE A 88 -2.264 -3.719 13.265 1.00 64.13 C ATOM 1308 CD1 ILE A 88 -3.388 -5.741 11.179 1.00 13.04 C ATOM 0 H ILE A 88 -1.419 -7.692 13.538 1.00 64.35 H new ATOM 0 HA ILE A 88 -0.563 -5.477 11.937 1.00 14.35 H new ATOM 0 HB ILE A 88 -2.247 -5.491 14.491 1.00 15.15 H new ATOM 0 HG12 ILE A 88 -3.202 -7.065 12.841 1.00 51.34 H new ATOM 0 HG13 ILE A 88 -4.254 -5.694 13.128 1.00 51.34 H new ATOM 0 HG21 ILE A 88 -3.251 -3.391 13.592 1.00 64.13 H new ATOM 0 HG22 ILE A 88 -1.500 -3.230 13.870 1.00 64.13 H new ATOM 0 HG23 ILE A 88 -2.122 -3.454 12.217 1.00 64.13 H new ATOM 0 HD11 ILE A 88 -4.227 -6.297 10.761 1.00 13.04 H new ATOM 0 HD12 ILE A 88 -3.532 -4.676 10.996 1.00 13.04 H new ATOM 0 HD13 ILE A 88 -2.463 -6.069 10.705 1.00 13.04 H new ATOM 1320 N ASP A 89 1.404 -4.585 13.268 1.00 75.21 N ATOM 1321 CA ASP A 89 2.424 -3.801 14.002 1.00 62.22 C ATOM 1322 C ASP A 89 1.819 -2.491 14.540 1.00 43.54 C ATOM 1323 O ASP A 89 2.103 -2.077 15.669 1.00 70.02 O ATOM 1324 CB ASP A 89 3.623 -3.459 13.084 1.00 23.12 C ATOM 1325 CG ASP A 89 4.350 -4.705 12.584 1.00 11.32 C ATOM 1326 OD1 ASP A 89 5.155 -5.280 13.351 1.00 30.30 O ATOM 1327 OD2 ASP A 89 4.123 -5.128 11.436 1.00 52.31 O ATOM 0 H ASP A 89 1.567 -4.637 12.262 1.00 75.21 H new ATOM 0 HA ASP A 89 2.770 -4.412 14.835 1.00 62.22 H new ATOM 0 HB2 ASP A 89 3.269 -2.881 12.230 1.00 23.12 H new ATOM 0 HB3 ASP A 89 4.325 -2.827 13.628 1.00 23.12 H new ATOM 1332 N SER A 90 0.964 -1.872 13.709 1.00 22.40 N ATOM 1333 CA SER A 90 0.430 -0.520 13.955 1.00 60.01 C ATOM 1334 C SER A 90 -0.798 -0.229 13.063 1.00 42.44 C ATOM 1335 O SER A 90 -0.981 -0.844 12.003 1.00 63.53 O ATOM 1336 CB SER A 90 1.528 0.549 13.695 1.00 30.54 C ATOM 1337 OG SER A 90 1.024 1.874 13.842 1.00 34.22 O ATOM 0 H SER A 90 0.622 -2.295 12.846 1.00 22.40 H new ATOM 0 HA SER A 90 0.116 -0.473 14.998 1.00 60.01 H new ATOM 0 HB2 SER A 90 2.355 0.396 14.388 1.00 30.54 H new ATOM 0 HB3 SER A 90 1.928 0.422 12.689 1.00 30.54 H new ATOM 0 HG SER A 90 1.743 2.518 13.673 1.00 34.22 H new ATOM 1343 N ALA A 91 -1.624 0.727 13.514 1.00 55.02 N ATOM 1344 CA ALA A 91 -2.751 1.283 12.740 1.00 34.54 C ATOM 1345 C ALA A 91 -2.466 2.770 12.427 1.00 23.40 C ATOM 1346 O ALA A 91 -2.110 3.540 13.330 1.00 61.33 O ATOM 1347 CB ALA A 91 -4.062 1.129 13.532 1.00 4.23 C ATOM 0 H ALA A 91 -1.529 1.144 14.440 1.00 55.02 H new ATOM 0 HA ALA A 91 -2.859 0.739 11.802 1.00 34.54 H new ATOM 0 HB1 ALA A 91 -4.888 1.542 12.953 1.00 4.23 H new ATOM 0 HB2 ALA A 91 -4.248 0.073 13.726 1.00 4.23 H new ATOM 0 HB3 ALA A 91 -3.980 1.663 14.479 1.00 4.23 H new ATOM 1353 N GLU A 92 -2.633 3.173 11.158 1.00 64.33 N ATOM 1354 CA GLU A 92 -2.307 4.545 10.696 1.00 51.42 C ATOM 1355 C GLU A 92 -3.501 5.197 9.976 1.00 44.30 C ATOM 1356 O GLU A 92 -4.171 4.560 9.160 1.00 4.43 O ATOM 1357 CB GLU A 92 -1.065 4.505 9.750 1.00 42.23 C ATOM 1358 CG GLU A 92 -0.576 5.873 9.217 1.00 43.41 C ATOM 1359 CD GLU A 92 -0.086 6.834 10.319 1.00 11.21 C ATOM 1360 OE1 GLU A 92 1.117 6.801 10.662 1.00 23.32 O ATOM 1361 OE2 GLU A 92 -0.900 7.626 10.849 1.00 51.34 O ATOM 0 H GLU A 92 -2.995 2.567 10.422 1.00 64.33 H new ATOM 0 HA GLU A 92 -2.077 5.151 11.573 1.00 51.42 H new ATOM 0 HB2 GLU A 92 -0.242 4.029 10.283 1.00 42.23 H new ATOM 0 HB3 GLU A 92 -1.302 3.869 8.897 1.00 42.23 H new ATOM 0 HG2 GLU A 92 0.234 5.707 8.507 1.00 43.41 H new ATOM 0 HG3 GLU A 92 -1.388 6.349 8.668 1.00 43.41 H new ATOM 1368 N LYS A 93 -3.773 6.472 10.301 1.00 52.50 N ATOM 1369 CA LYS A 93 -4.706 7.314 9.529 1.00 71.14 C ATOM 1370 C LYS A 93 -3.917 8.189 8.542 1.00 21.03 C ATOM 1371 O LYS A 93 -3.385 9.248 8.897 1.00 40.11 O ATOM 1372 CB LYS A 93 -5.611 8.175 10.466 1.00 41.43 C ATOM 1373 CG LYS A 93 -6.823 7.413 11.040 1.00 22.22 C ATOM 1374 CD LYS A 93 -7.779 6.916 9.927 1.00 70.32 C ATOM 1375 CE LYS A 93 -8.994 6.166 10.480 1.00 63.31 C ATOM 1376 NZ LYS A 93 -9.835 7.012 11.368 1.00 33.43 N ATOM 0 H LYS A 93 -3.356 6.947 11.101 1.00 52.50 H new ATOM 0 HA LYS A 93 -5.374 6.666 8.962 1.00 71.14 H new ATOM 0 HB2 LYS A 93 -5.007 8.552 11.292 1.00 41.43 H new ATOM 0 HB3 LYS A 93 -5.969 9.042 9.912 1.00 41.43 H new ATOM 0 HG2 LYS A 93 -6.472 6.561 11.623 1.00 22.22 H new ATOM 0 HG3 LYS A 93 -7.369 8.064 11.723 1.00 22.22 H new ATOM 0 HD2 LYS A 93 -8.120 7.769 9.340 1.00 70.32 H new ATOM 0 HD3 LYS A 93 -7.231 6.261 9.249 1.00 70.32 H new ATOM 0 HE2 LYS A 93 -9.600 5.803 9.650 1.00 63.31 H new ATOM 0 HE3 LYS A 93 -8.654 5.291 11.034 1.00 63.31 H new ATOM 0 HZ1 LYS A 93 -10.703 6.496 11.619 1.00 33.43 H new ATOM 0 HZ2 LYS A 93 -9.305 7.240 12.233 1.00 33.43 H new ATOM 0 HZ3 LYS A 93 -10.086 7.892 10.873 1.00 33.43 H new ATOM 1390 N THR A 94 -3.820 7.695 7.305 1.00 43.40 N ATOM 1391 CA THR A 94 -3.184 8.401 6.181 1.00 72.52 C ATOM 1392 C THR A 94 -4.066 8.263 4.925 1.00 64.13 C ATOM 1393 O THR A 94 -4.759 7.250 4.755 1.00 54.40 O ATOM 1394 CB THR A 94 -1.745 7.850 5.903 1.00 71.21 C ATOM 1395 OG1 THR A 94 -1.158 8.544 4.788 1.00 42.50 O ATOM 1396 CG2 THR A 94 -1.730 6.328 5.637 1.00 53.24 C ATOM 0 H THR A 94 -4.186 6.778 7.048 1.00 43.40 H new ATOM 0 HA THR A 94 -3.086 9.455 6.443 1.00 72.52 H new ATOM 0 HB THR A 94 -1.158 8.026 6.804 1.00 71.21 H new ATOM 0 HG1 THR A 94 -0.184 8.440 4.814 1.00 42.50 H new ATOM 0 HG21 THR A 94 -0.707 6.001 5.451 1.00 53.24 H new ATOM 0 HG22 THR A 94 -2.126 5.803 6.506 1.00 53.24 H new ATOM 0 HG23 THR A 94 -2.346 6.105 4.766 1.00 53.24 H new ATOM 1404 N THR A 95 -4.054 9.277 4.053 1.00 35.10 N ATOM 1405 CA THR A 95 -4.848 9.249 2.810 1.00 33.14 C ATOM 1406 C THR A 95 -4.061 8.496 1.723 1.00 33.41 C ATOM 1407 O THR A 95 -2.940 8.878 1.391 1.00 53.41 O ATOM 1408 CB THR A 95 -5.216 10.689 2.316 1.00 14.21 C ATOM 1409 OG1 THR A 95 -5.703 11.468 3.421 1.00 23.21 O ATOM 1410 CG2 THR A 95 -6.303 10.662 1.217 1.00 14.33 C ATOM 0 H THR A 95 -3.506 10.128 4.181 1.00 35.10 H new ATOM 0 HA THR A 95 -5.785 8.732 3.016 1.00 33.14 H new ATOM 0 HB THR A 95 -4.312 11.131 1.898 1.00 14.21 H new ATOM 0 HG1 THR A 95 -5.931 12.369 3.111 1.00 23.21 H new ATOM 0 HG21 THR A 95 -6.528 11.681 0.903 1.00 14.33 H new ATOM 0 HG22 THR A 95 -5.942 10.090 0.362 1.00 14.33 H new ATOM 0 HG23 THR A 95 -7.206 10.195 1.610 1.00 14.33 H new ATOM 1418 N VAL A 96 -4.666 7.444 1.155 1.00 15.31 N ATOM 1419 CA VAL A 96 -3.996 6.541 0.196 1.00 62.14 C ATOM 1420 C VAL A 96 -4.638 6.700 -1.198 1.00 70.31 C ATOM 1421 O VAL A 96 -5.859 6.799 -1.331 1.00 73.30 O ATOM 1422 CB VAL A 96 -4.027 5.028 0.666 1.00 31.44 C ATOM 1423 CG1 VAL A 96 -3.114 4.808 1.902 1.00 52.55 C ATOM 1424 CG2 VAL A 96 -5.472 4.535 0.954 1.00 21.31 C ATOM 0 H VAL A 96 -5.636 7.191 1.345 1.00 15.31 H new ATOM 0 HA VAL A 96 -2.945 6.826 0.146 1.00 62.14 H new ATOM 0 HB VAL A 96 -3.639 4.431 -0.159 1.00 31.44 H new ATOM 0 HG11 VAL A 96 -3.155 3.761 2.203 1.00 52.55 H new ATOM 0 HG12 VAL A 96 -2.088 5.073 1.648 1.00 52.55 H new ATOM 0 HG13 VAL A 96 -3.458 5.435 2.724 1.00 52.55 H new ATOM 0 HG21 VAL A 96 -5.444 3.493 1.273 1.00 21.31 H new ATOM 0 HG22 VAL A 96 -5.914 5.144 1.742 1.00 21.31 H new ATOM 0 HG23 VAL A 96 -6.073 4.621 0.049 1.00 21.31 H new ATOM 1434 N TYR A 97 -3.799 6.772 -2.234 1.00 45.30 N ATOM 1435 CA TYR A 97 -4.237 7.026 -3.616 1.00 53.21 C ATOM 1436 C TYR A 97 -3.854 5.876 -4.561 1.00 63.43 C ATOM 1437 O TYR A 97 -2.780 5.272 -4.442 1.00 64.13 O ATOM 1438 CB TYR A 97 -3.641 8.365 -4.131 1.00 53.22 C ATOM 1439 CG TYR A 97 -4.108 9.593 -3.333 1.00 13.30 C ATOM 1440 CD1 TYR A 97 -5.360 10.170 -3.572 1.00 1.12 C ATOM 1441 CD2 TYR A 97 -3.316 10.161 -2.334 1.00 24.41 C ATOM 1442 CE1 TYR A 97 -5.798 11.263 -2.853 1.00 20.14 C ATOM 1443 CE2 TYR A 97 -3.760 11.253 -1.614 1.00 32.30 C ATOM 1444 CZ TYR A 97 -4.998 11.799 -1.879 1.00 21.12 C ATOM 1445 OH TYR A 97 -5.434 12.894 -1.163 1.00 54.23 O ATOM 0 H TYR A 97 -2.790 6.656 -2.141 1.00 45.30 H new ATOM 0 HA TYR A 97 -5.325 7.095 -3.607 1.00 53.21 H new ATOM 0 HB2 TYR A 97 -2.553 8.308 -4.091 1.00 53.22 H new ATOM 0 HB3 TYR A 97 -3.915 8.496 -5.178 1.00 53.22 H new ATOM 0 HD1 TYR A 97 -5.998 9.751 -4.336 1.00 1.12 H new ATOM 0 HD2 TYR A 97 -2.344 9.741 -2.121 1.00 24.41 H new ATOM 0 HE1 TYR A 97 -6.767 11.694 -3.057 1.00 20.14 H new ATOM 0 HE2 TYR A 97 -3.136 11.680 -0.842 1.00 32.30 H new ATOM 0 HH TYR A 97 -4.818 13.065 -0.420 1.00 54.23 H new ATOM 1455 N MET A 98 -4.773 5.579 -5.488 1.00 5.31 N ATOM 1456 CA MET A 98 -4.525 4.682 -6.620 1.00 54.12 C ATOM 1457 C MET A 98 -4.000 5.530 -7.805 1.00 14.30 C ATOM 1458 O MET A 98 -4.720 6.389 -8.332 1.00 45.24 O ATOM 1459 CB MET A 98 -5.840 3.923 -6.951 1.00 72.15 C ATOM 1460 CG MET A 98 -5.749 2.878 -8.073 1.00 13.32 C ATOM 1461 SD MET A 98 -5.936 3.589 -9.715 1.00 70.41 S ATOM 1462 CE MET A 98 -7.670 4.071 -9.714 1.00 35.33 C ATOM 0 H MET A 98 -5.719 5.960 -5.472 1.00 5.31 H new ATOM 0 HA MET A 98 -3.769 3.932 -6.390 1.00 54.12 H new ATOM 0 HB2 MET A 98 -6.187 3.426 -6.045 1.00 72.15 H new ATOM 0 HB3 MET A 98 -6.600 4.655 -7.224 1.00 72.15 H new ATOM 0 HG2 MET A 98 -4.787 2.370 -8.011 1.00 13.32 H new ATOM 0 HG3 MET A 98 -6.519 2.122 -7.921 1.00 13.32 H new ATOM 0 HE1 MET A 98 -8.016 4.188 -10.741 1.00 35.33 H new ATOM 0 HE2 MET A 98 -8.261 3.301 -9.218 1.00 35.33 H new ATOM 0 HE3 MET A 98 -7.785 5.016 -9.183 1.00 35.33 H new ATOM 1472 N VAL A 99 -2.715 5.322 -8.172 1.00 44.22 N ATOM 1473 CA VAL A 99 -2.003 6.185 -9.156 1.00 1.51 C ATOM 1474 C VAL A 99 -1.438 5.385 -10.350 1.00 34.35 C ATOM 1475 O VAL A 99 -1.270 4.167 -10.283 1.00 74.32 O ATOM 1476 CB VAL A 99 -0.826 6.999 -8.478 1.00 72.43 C ATOM 1477 CG1 VAL A 99 -1.355 7.953 -7.373 1.00 61.00 C ATOM 1478 CG2 VAL A 99 0.279 6.055 -7.927 1.00 41.04 C ATOM 0 H VAL A 99 -2.144 4.562 -7.803 1.00 44.22 H new ATOM 0 HA VAL A 99 -2.755 6.879 -9.532 1.00 1.51 H new ATOM 0 HB VAL A 99 -0.372 7.616 -9.254 1.00 72.43 H new ATOM 0 HG11 VAL A 99 -0.520 8.495 -6.930 1.00 61.00 H new ATOM 0 HG12 VAL A 99 -2.057 8.663 -7.811 1.00 61.00 H new ATOM 0 HG13 VAL A 99 -1.860 7.372 -6.602 1.00 61.00 H new ATOM 0 HG21 VAL A 99 1.070 6.649 -7.469 1.00 41.04 H new ATOM 0 HG22 VAL A 99 -0.152 5.387 -7.181 1.00 41.04 H new ATOM 0 HG23 VAL A 99 0.695 5.466 -8.744 1.00 41.04 H new ATOM 1488 N ASP A 100 -1.148 6.106 -11.448 1.00 4.42 N ATOM 1489 CA ASP A 100 -0.449 5.558 -12.636 1.00 13.43 C ATOM 1490 C ASP A 100 0.875 6.352 -12.847 1.00 11.44 C ATOM 1491 O ASP A 100 0.824 7.559 -13.102 1.00 72.43 O ATOM 1492 CB ASP A 100 -1.365 5.678 -13.894 1.00 24.52 C ATOM 1493 CG ASP A 100 -2.790 5.123 -13.675 1.00 43.32 C ATOM 1494 OD1 ASP A 100 -3.618 5.822 -13.060 1.00 15.24 O ATOM 1495 OD2 ASP A 100 -3.101 4.004 -14.132 1.00 72.43 O ATOM 0 H ASP A 100 -1.391 7.092 -11.542 1.00 4.42 H new ATOM 0 HA ASP A 100 -0.219 4.504 -12.481 1.00 13.43 H new ATOM 0 HB2 ASP A 100 -1.433 6.726 -14.185 1.00 24.52 H new ATOM 0 HB3 ASP A 100 -0.900 5.146 -14.724 1.00 24.52 H new ATOM 1500 N TYR A 101 2.047 5.683 -12.745 1.00 41.53 N ATOM 1501 CA TYR A 101 3.382 6.360 -12.824 1.00 71.13 C ATOM 1502 C TYR A 101 4.273 5.750 -13.927 1.00 75.32 C ATOM 1503 O TYR A 101 4.002 4.666 -14.424 1.00 64.23 O ATOM 1504 CB TYR A 101 4.118 6.307 -11.444 1.00 43.04 C ATOM 1505 CG TYR A 101 4.524 4.895 -10.973 1.00 12.03 C ATOM 1506 CD1 TYR A 101 3.658 4.116 -10.207 1.00 61.13 C ATOM 1507 CD2 TYR A 101 5.765 4.336 -11.316 1.00 62.20 C ATOM 1508 CE1 TYR A 101 4.008 2.846 -9.808 1.00 71.45 C ATOM 1509 CE2 TYR A 101 6.112 3.062 -10.913 1.00 31.21 C ATOM 1510 CZ TYR A 101 5.225 2.321 -10.160 1.00 50.12 C ATOM 1511 OH TYR A 101 5.548 1.040 -9.764 1.00 0.01 O ATOM 0 H TYR A 101 2.105 4.674 -12.608 1.00 41.53 H new ATOM 0 HA TYR A 101 3.196 7.402 -13.084 1.00 71.13 H new ATOM 0 HB2 TYR A 101 5.014 6.925 -11.504 1.00 43.04 H new ATOM 0 HB3 TYR A 101 3.472 6.754 -10.688 1.00 43.04 H new ATOM 0 HD1 TYR A 101 2.696 4.516 -9.922 1.00 61.13 H new ATOM 0 HD2 TYR A 101 6.461 4.913 -11.906 1.00 62.20 H new ATOM 0 HE1 TYR A 101 3.321 2.260 -9.215 1.00 71.45 H new ATOM 0 HE2 TYR A 101 7.072 2.648 -11.185 1.00 31.21 H new ATOM 0 HH TYR A 101 5.804 1.045 -8.818 1.00 0.01 H new ATOM 1521 N THR A 102 5.356 6.457 -14.296 1.00 72.12 N ATOM 1522 CA THR A 102 6.384 5.943 -15.240 1.00 50.25 C ATOM 1523 C THR A 102 7.704 5.637 -14.492 1.00 70.24 C ATOM 1524 O THR A 102 8.370 6.564 -14.023 1.00 51.54 O ATOM 1525 CB THR A 102 6.655 6.973 -16.386 1.00 41.25 C ATOM 1526 OG1 THR A 102 5.410 7.343 -17.005 1.00 53.52 O ATOM 1527 CG2 THR A 102 7.619 6.416 -17.463 1.00 41.03 C ATOM 0 H THR A 102 5.550 7.398 -13.954 1.00 72.12 H new ATOM 0 HA THR A 102 6.002 5.022 -15.680 1.00 50.25 H new ATOM 0 HB THR A 102 7.131 7.844 -15.936 1.00 41.25 H new ATOM 0 HG1 THR A 102 5.580 7.989 -17.722 1.00 53.52 H new ATOM 0 HG21 THR A 102 7.775 7.169 -18.236 1.00 41.03 H new ATOM 0 HG22 THR A 102 8.575 6.166 -17.002 1.00 41.03 H new ATOM 0 HG23 THR A 102 7.187 5.521 -17.910 1.00 41.03 H new ATOM 1535 N SER A 103 8.072 4.336 -14.384 1.00 63.05 N ATOM 1536 CA SER A 103 9.310 3.895 -13.681 1.00 32.12 C ATOM 1537 C SER A 103 10.585 4.526 -14.304 1.00 3.32 C ATOM 1538 O SER A 103 10.848 4.378 -15.495 1.00 20.05 O ATOM 1539 CB SER A 103 9.434 2.344 -13.677 1.00 71.52 C ATOM 1540 OG SER A 103 9.628 1.818 -14.986 1.00 54.31 O ATOM 0 H SER A 103 7.528 3.568 -14.776 1.00 63.05 H new ATOM 0 HA SER A 103 9.227 4.244 -12.652 1.00 32.12 H new ATOM 0 HB2 SER A 103 10.269 2.049 -13.041 1.00 71.52 H new ATOM 0 HB3 SER A 103 8.534 1.910 -13.242 1.00 71.52 H new ATOM 0 HG SER A 103 8.826 1.979 -15.526 1.00 54.31 H new ATOM 1546 N THR A 104 11.355 5.243 -13.471 1.00 5.00 N ATOM 1547 CA THR A 104 12.607 5.931 -13.870 1.00 73.33 C ATOM 1548 C THR A 104 13.767 4.943 -14.167 1.00 42.24 C ATOM 1549 O THR A 104 14.705 5.284 -14.895 1.00 44.31 O ATOM 1550 CB THR A 104 13.058 6.932 -12.748 1.00 52.41 C ATOM 1551 OG1 THR A 104 13.312 6.211 -11.522 1.00 32.14 O ATOM 1552 CG2 THR A 104 11.993 8.020 -12.489 1.00 23.55 C ATOM 0 H THR A 104 11.128 5.367 -12.484 1.00 5.00 H new ATOM 0 HA THR A 104 12.385 6.469 -14.792 1.00 73.33 H new ATOM 0 HB THR A 104 13.969 7.423 -13.091 1.00 52.41 H new ATOM 0 HG1 THR A 104 13.595 6.840 -10.825 1.00 32.14 H new ATOM 0 HG21 THR A 104 12.343 8.693 -11.706 1.00 23.55 H new ATOM 0 HG22 THR A 104 11.822 8.587 -13.404 1.00 23.55 H new ATOM 0 HG23 THR A 104 11.062 7.550 -12.174 1.00 23.55 H new ATOM 1560 N THR A 105 13.694 3.722 -13.596 1.00 72.01 N ATOM 1561 CA THR A 105 14.776 2.701 -13.704 1.00 61.31 C ATOM 1562 C THR A 105 14.643 1.796 -14.964 1.00 35.43 C ATOM 1563 O THR A 105 15.569 1.043 -15.291 1.00 30.42 O ATOM 1564 CB THR A 105 14.835 1.801 -12.414 1.00 41.13 C ATOM 1565 OG1 THR A 105 16.048 1.030 -12.398 1.00 65.42 O ATOM 1566 CG2 THR A 105 13.627 0.843 -12.297 1.00 15.24 C ATOM 0 H THR A 105 12.892 3.410 -13.049 1.00 72.01 H new ATOM 0 HA THR A 105 15.704 3.263 -13.803 1.00 61.31 H new ATOM 0 HB THR A 105 14.806 2.480 -11.562 1.00 41.13 H new ATOM 0 HG1 THR A 105 16.290 0.782 -13.315 1.00 65.42 H new ATOM 0 HG21 THR A 105 13.721 0.248 -11.389 1.00 15.24 H new ATOM 0 HG22 THR A 105 12.705 1.423 -12.256 1.00 15.24 H new ATOM 0 HG23 THR A 105 13.602 0.182 -13.163 1.00 15.24 H new ATOM 1574 N SER A 106 13.494 1.874 -15.666 1.00 74.43 N ATOM 1575 CA SER A 106 13.188 0.996 -16.838 1.00 43.11 C ATOM 1576 C SER A 106 12.604 1.801 -18.023 1.00 43.13 C ATOM 1577 O SER A 106 12.935 1.543 -19.187 1.00 22.43 O ATOM 1578 CB SER A 106 12.182 -0.116 -16.424 1.00 55.24 C ATOM 1579 OG SER A 106 12.689 -0.919 -15.366 1.00 70.22 O ATOM 0 H SER A 106 12.751 2.538 -15.447 1.00 74.43 H new ATOM 0 HA SER A 106 14.127 0.547 -17.163 1.00 43.11 H new ATOM 0 HB2 SER A 106 11.242 0.341 -16.115 1.00 55.24 H new ATOM 0 HB3 SER A 106 11.962 -0.746 -17.286 1.00 55.24 H new ATOM 0 HG SER A 106 12.030 -1.605 -15.131 1.00 70.22 H new ATOM 1585 N GLY A 107 11.723 2.770 -17.707 1.00 23.22 N ATOM 1586 CA GLY A 107 10.971 3.534 -18.727 1.00 12.22 C ATOM 1587 C GLY A 107 9.554 2.997 -18.956 1.00 51.00 C ATOM 1588 O GLY A 107 8.791 3.543 -19.761 1.00 54.01 O ATOM 0 H GLY A 107 11.512 3.045 -16.748 1.00 23.22 H new ATOM 0 HA2 GLY A 107 10.912 4.578 -18.420 1.00 12.22 H new ATOM 0 HA3 GLY A 107 11.519 3.509 -19.669 1.00 12.22 H new ATOM 1592 N GLU A 108 9.213 1.908 -18.243 1.00 61.10 N ATOM 1593 CA GLU A 108 7.890 1.253 -18.316 1.00 21.51 C ATOM 1594 C GLU A 108 6.849 1.999 -17.445 1.00 44.34 C ATOM 1595 O GLU A 108 7.155 2.429 -16.332 1.00 21.32 O ATOM 1596 CB GLU A 108 8.016 -0.232 -17.864 1.00 43.44 C ATOM 1597 CG GLU A 108 6.691 -1.037 -17.827 1.00 21.30 C ATOM 1598 CD GLU A 108 6.013 -1.208 -19.205 1.00 1.20 C ATOM 1599 OE1 GLU A 108 5.212 -0.333 -19.606 1.00 63.13 O ATOM 1600 OE2 GLU A 108 6.266 -2.223 -19.885 1.00 55.01 O ATOM 0 H GLU A 108 9.853 1.452 -17.593 1.00 61.10 H new ATOM 0 HA GLU A 108 7.542 1.286 -19.348 1.00 21.51 H new ATOM 0 HB2 GLU A 108 8.710 -0.739 -18.535 1.00 43.44 H new ATOM 0 HB3 GLU A 108 8.461 -0.254 -16.869 1.00 43.44 H new ATOM 0 HG2 GLU A 108 6.890 -2.023 -17.408 1.00 21.30 H new ATOM 0 HG3 GLU A 108 5.995 -0.539 -17.152 1.00 21.30 H new ATOM 1607 N LYS A 109 5.609 2.125 -17.953 1.00 23.25 N ATOM 1608 CA LYS A 109 4.503 2.771 -17.216 1.00 40.32 C ATOM 1609 C LYS A 109 3.628 1.710 -16.494 1.00 3.21 C ATOM 1610 O LYS A 109 3.212 0.713 -17.090 1.00 2.31 O ATOM 1611 CB LYS A 109 3.655 3.649 -18.175 1.00 12.45 C ATOM 1612 CG LYS A 109 2.548 4.477 -17.469 1.00 73.24 C ATOM 1613 CD LYS A 109 1.811 5.448 -18.420 1.00 4.05 C ATOM 1614 CE LYS A 109 1.050 4.728 -19.549 1.00 52.24 C ATOM 1615 NZ LYS A 109 0.431 5.688 -20.491 1.00 21.24 N ATOM 0 H LYS A 109 5.345 1.786 -18.878 1.00 23.25 H new ATOM 0 HA LYS A 109 4.927 3.422 -16.451 1.00 40.32 H new ATOM 0 HB2 LYS A 109 4.318 4.330 -18.708 1.00 12.45 H new ATOM 0 HB3 LYS A 109 3.191 3.006 -18.923 1.00 12.45 H new ATOM 0 HG2 LYS A 109 1.823 3.796 -17.023 1.00 73.24 H new ATOM 0 HG3 LYS A 109 2.994 5.046 -16.654 1.00 73.24 H new ATOM 0 HD2 LYS A 109 1.109 6.049 -17.843 1.00 4.05 H new ATOM 0 HD3 LYS A 109 2.534 6.136 -18.859 1.00 4.05 H new ATOM 0 HE2 LYS A 109 1.735 4.076 -20.091 1.00 52.24 H new ATOM 0 HE3 LYS A 109 0.277 4.091 -19.118 1.00 52.24 H new ATOM 0 HZ1 LYS A 109 -0.072 5.167 -21.237 1.00 21.24 H new ATOM 0 HZ2 LYS A 109 -0.241 6.294 -19.978 1.00 21.24 H new ATOM 0 HZ3 LYS A 109 1.171 6.279 -20.921 1.00 21.24 H new ATOM 1629 N VAL A 110 3.336 1.976 -15.212 1.00 35.54 N ATOM 1630 CA VAL A 110 2.600 1.071 -14.301 1.00 2.24 C ATOM 1631 C VAL A 110 1.215 1.667 -13.983 1.00 64.41 C ATOM 1632 O VAL A 110 1.110 2.826 -13.572 1.00 22.10 O ATOM 1633 CB VAL A 110 3.398 0.827 -12.969 1.00 14.33 C ATOM 1634 CG1 VAL A 110 2.634 -0.115 -11.995 1.00 1.05 C ATOM 1635 CG2 VAL A 110 4.822 0.288 -13.268 1.00 25.44 C ATOM 0 H VAL A 110 3.611 2.850 -14.763 1.00 35.54 H new ATOM 0 HA VAL A 110 2.479 0.110 -14.801 1.00 2.24 H new ATOM 0 HB VAL A 110 3.496 1.791 -12.469 1.00 14.33 H new ATOM 0 HG11 VAL A 110 3.222 -0.256 -11.088 1.00 1.05 H new ATOM 0 HG12 VAL A 110 1.672 0.329 -11.738 1.00 1.05 H new ATOM 0 HG13 VAL A 110 2.471 -1.080 -12.475 1.00 1.05 H new ATOM 0 HG21 VAL A 110 5.354 0.127 -12.331 1.00 25.44 H new ATOM 0 HG22 VAL A 110 4.748 -0.655 -13.810 1.00 25.44 H new ATOM 0 HG23 VAL A 110 5.366 1.013 -13.874 1.00 25.44 H new ATOM 1645 N LYS A 111 0.165 0.855 -14.171 1.00 71.22 N ATOM 1646 CA LYS A 111 -1.243 1.290 -14.060 1.00 11.40 C ATOM 1647 C LYS A 111 -1.867 0.826 -12.717 1.00 11.04 C ATOM 1648 O LYS A 111 -1.659 -0.317 -12.294 1.00 3.41 O ATOM 1649 CB LYS A 111 -2.086 0.749 -15.266 1.00 3.43 C ATOM 1650 CG LYS A 111 -1.816 1.427 -16.643 1.00 34.33 C ATOM 1651 CD LYS A 111 -0.407 1.141 -17.236 1.00 40.02 C ATOM 1652 CE LYS A 111 -0.167 -0.354 -17.541 1.00 22.12 C ATOM 1653 NZ LYS A 111 -1.075 -0.867 -18.599 1.00 62.00 N ATOM 0 H LYS A 111 0.266 -0.132 -14.407 1.00 71.22 H new ATOM 0 HA LYS A 111 -1.258 2.380 -14.084 1.00 11.40 H new ATOM 0 HB2 LYS A 111 -1.897 -0.320 -15.366 1.00 3.43 H new ATOM 0 HB3 LYS A 111 -3.143 0.865 -15.027 1.00 3.43 H new ATOM 0 HG2 LYS A 111 -2.571 1.091 -17.354 1.00 34.33 H new ATOM 0 HG3 LYS A 111 -1.939 2.505 -16.534 1.00 34.33 H new ATOM 0 HD2 LYS A 111 -0.282 1.717 -18.153 1.00 40.02 H new ATOM 0 HD3 LYS A 111 0.352 1.489 -16.536 1.00 40.02 H new ATOM 0 HE2 LYS A 111 0.868 -0.497 -17.853 1.00 22.12 H new ATOM 0 HE3 LYS A 111 -0.309 -0.936 -16.630 1.00 22.12 H new ATOM 0 HZ1 LYS A 111 -0.843 -1.860 -18.805 1.00 62.00 H new ATOM 0 HZ2 LYS A 111 -2.060 -0.803 -18.272 1.00 62.00 H new ATOM 0 HZ3 LYS A 111 -0.959 -0.298 -19.462 1.00 62.00 H new ATOM 1667 N ASN A 112 -2.624 1.747 -12.073 1.00 33.30 N ATOM 1668 CA ASN A 112 -3.432 1.476 -10.850 1.00 10.45 C ATOM 1669 C ASN A 112 -2.604 0.890 -9.664 1.00 64.21 C ATOM 1670 O ASN A 112 -3.056 -0.037 -8.970 1.00 42.05 O ATOM 1671 CB ASN A 112 -4.644 0.553 -11.196 1.00 74.44 C ATOM 1672 CG ASN A 112 -5.567 1.094 -12.298 1.00 34.24 C ATOM 1673 OD1 ASN A 112 -6.163 0.331 -13.053 1.00 34.31 O ATOM 1674 ND2 ASN A 112 -5.726 2.403 -12.398 1.00 42.20 N ATOM 0 H ASN A 112 -2.694 2.714 -12.390 1.00 33.30 H new ATOM 0 HA ASN A 112 -3.798 2.442 -10.503 1.00 10.45 H new ATOM 0 HB2 ASN A 112 -4.265 -0.422 -11.504 1.00 74.44 H new ATOM 0 HB3 ASN A 112 -5.233 0.395 -10.292 1.00 74.44 H new ATOM 0 HD21 ASN A 112 -6.349 2.788 -13.108 1.00 42.20 H new ATOM 0 HD22 ASN A 112 -5.226 3.027 -11.765 1.00 42.20 H new ATOM 1681 N HIS A 113 -1.403 1.455 -9.432 1.00 2.11 N ATOM 1682 CA HIS A 113 -0.499 1.044 -8.327 1.00 2.41 C ATOM 1683 C HIS A 113 -1.140 1.277 -6.929 1.00 73.45 C ATOM 1684 O HIS A 113 -1.697 2.352 -6.654 1.00 73.20 O ATOM 1685 CB HIS A 113 0.846 1.802 -8.436 1.00 24.52 C ATOM 1686 CG HIS A 113 1.862 1.418 -7.383 1.00 4.12 C ATOM 1687 ND1 HIS A 113 2.160 2.014 -6.201 1.00 41.50 N flip ATOM 1688 CD2 HIS A 113 2.666 0.314 -7.534 1.00 32.34 C flip ATOM 1689 CE1 HIS A 113 3.147 1.269 -5.616 1.00 51.44 C flip ATOM 1690 NE2 HIS A 113 3.418 0.260 -6.453 1.00 1.24 N flip ATOM 0 H HIS A 113 -1.027 2.211 -10.004 1.00 2.11 H new ATOM 0 HA HIS A 113 -0.322 -0.027 -8.426 1.00 2.41 H new ATOM 0 HB2 HIS A 113 1.274 1.619 -9.422 1.00 24.52 H new ATOM 0 HB3 HIS A 113 0.653 2.873 -8.366 1.00 24.52 H new ATOM 0 HD2 HIS A 113 2.679 -0.371 -8.369 1.00 32.34 H new ATOM 0 HE1 HIS A 113 3.617 1.458 -4.662 1.00 51.44 H new ATOM 0 HE2 HIS A 113 4.118 -0.460 -6.276 1.00 1.24 H new ATOM 1698 N LYS A 114 -1.051 0.248 -6.055 1.00 21.20 N ATOM 1699 CA LYS A 114 -1.649 0.255 -4.696 1.00 25.14 C ATOM 1700 C LYS A 114 -0.638 -0.263 -3.623 1.00 2.24 C ATOM 1701 O LYS A 114 0.062 -1.237 -3.878 1.00 41.22 O ATOM 1702 CB LYS A 114 -2.923 -0.647 -4.679 1.00 22.10 C ATOM 1703 CG LYS A 114 -4.004 -0.257 -5.715 1.00 70.10 C ATOM 1704 CD LYS A 114 -5.246 -1.177 -5.675 1.00 55.14 C ATOM 1705 CE LYS A 114 -6.241 -0.858 -6.804 1.00 53.12 C ATOM 1706 NZ LYS A 114 -5.655 -1.112 -8.147 1.00 14.50 N ATOM 0 H LYS A 114 -0.559 -0.618 -6.273 1.00 21.20 H new ATOM 0 HA LYS A 114 -1.912 1.284 -4.451 1.00 25.14 H new ATOM 0 HB2 LYS A 114 -2.623 -1.680 -4.858 1.00 22.10 H new ATOM 0 HB3 LYS A 114 -3.364 -0.611 -3.683 1.00 22.10 H new ATOM 0 HG2 LYS A 114 -4.316 0.772 -5.535 1.00 70.10 H new ATOM 0 HG3 LYS A 114 -3.569 -0.288 -6.714 1.00 70.10 H new ATOM 0 HD2 LYS A 114 -4.929 -2.217 -5.755 1.00 55.14 H new ATOM 0 HD3 LYS A 114 -5.745 -1.070 -4.712 1.00 55.14 H new ATOM 0 HE2 LYS A 114 -7.139 -1.464 -6.679 1.00 53.12 H new ATOM 0 HE3 LYS A 114 -6.548 0.185 -6.733 1.00 53.12 H new ATOM 0 HZ1 LYS A 114 -6.378 -0.950 -8.877 1.00 14.50 H new ATOM 0 HZ2 LYS A 114 -4.854 -0.468 -8.304 1.00 14.50 H new ATOM 0 HZ3 LYS A 114 -5.323 -2.096 -8.201 1.00 14.50 H new ATOM 1720 N TRP A 115 -0.514 0.385 -2.432 1.00 3.13 N ATOM 1721 CA TRP A 115 -1.009 1.758 -2.139 1.00 72.40 C ATOM 1722 C TRP A 115 0.163 2.725 -1.863 1.00 43.03 C ATOM 1723 O TRP A 115 1.189 2.337 -1.296 1.00 0.02 O ATOM 1724 CB TRP A 115 -1.972 1.765 -0.912 1.00 54.32 C ATOM 1725 CG TRP A 115 -3.255 0.990 -1.109 1.00 22.40 C ATOM 1726 CD1 TRP A 115 -3.580 -0.227 -0.579 1.00 22.41 C ATOM 1727 CD2 TRP A 115 -4.375 1.387 -1.909 1.00 24.34 C ATOM 1728 NE1 TRP A 115 -4.829 -0.596 -0.990 1.00 61.03 N ATOM 1729 CE2 TRP A 115 -5.339 0.370 -1.806 1.00 55.04 C ATOM 1730 CE3 TRP A 115 -4.658 2.511 -2.694 1.00 31.11 C ATOM 1731 CZ2 TRP A 115 -6.561 0.432 -2.467 1.00 23.13 C ATOM 1732 CZ3 TRP A 115 -5.868 2.570 -3.349 1.00 70.13 C ATOM 1733 CH2 TRP A 115 -6.810 1.539 -3.227 1.00 52.04 C ATOM 0 H TRP A 115 -0.055 -0.045 -1.629 1.00 3.13 H new ATOM 0 HA TRP A 115 -1.554 2.093 -3.022 1.00 72.40 H new ATOM 0 HB2 TRP A 115 -1.444 1.354 -0.051 1.00 54.32 H new ATOM 0 HB3 TRP A 115 -2.221 2.798 -0.670 1.00 54.32 H new ATOM 0 HD1 TRP A 115 -2.943 -0.811 0.069 1.00 22.41 H new ATOM 0 HE1 TRP A 115 -5.306 -1.459 -0.728 1.00 61.03 H new ATOM 0 HE3 TRP A 115 -3.942 3.315 -2.784 1.00 31.11 H new ATOM 0 HZ2 TRP A 115 -7.285 -0.365 -2.383 1.00 23.13 H new ATOM 0 HZ3 TRP A 115 -6.095 3.426 -3.968 1.00 70.13 H new ATOM 0 HH2 TRP A 115 -7.754 1.622 -3.746 1.00 52.04 H new ATOM 1744 N VAL A 116 -0.021 3.988 -2.274 1.00 53.43 N ATOM 1745 CA VAL A 116 0.890 5.111 -1.940 1.00 24.13 C ATOM 1746 C VAL A 116 0.109 6.187 -1.161 1.00 24.01 C ATOM 1747 O VAL A 116 -1.086 6.359 -1.372 1.00 24.55 O ATOM 1748 CB VAL A 116 1.558 5.747 -3.221 1.00 62.20 C ATOM 1749 CG1 VAL A 116 2.577 4.772 -3.870 1.00 74.42 C ATOM 1750 CG2 VAL A 116 0.492 6.208 -4.248 1.00 40.22 C ATOM 0 H VAL A 116 -0.812 4.269 -2.854 1.00 53.43 H new ATOM 0 HA VAL A 116 1.697 4.712 -1.325 1.00 24.13 H new ATOM 0 HB VAL A 116 2.106 6.632 -2.897 1.00 62.20 H new ATOM 0 HG11 VAL A 116 3.019 5.240 -4.749 1.00 74.42 H new ATOM 0 HG12 VAL A 116 3.362 4.535 -3.152 1.00 74.42 H new ATOM 0 HG13 VAL A 116 2.066 3.855 -4.165 1.00 74.42 H new ATOM 0 HG21 VAL A 116 0.987 6.641 -5.117 1.00 40.22 H new ATOM 0 HG22 VAL A 116 -0.106 5.352 -4.560 1.00 40.22 H new ATOM 0 HG23 VAL A 116 -0.155 6.956 -3.790 1.00 40.22 H new ATOM 1760 N THR A 117 0.782 6.895 -0.253 1.00 23.43 N ATOM 1761 CA THR A 117 0.140 7.926 0.597 1.00 30.44 C ATOM 1762 C THR A 117 0.333 9.353 0.060 1.00 74.24 C ATOM 1763 O THR A 117 1.197 9.615 -0.773 1.00 15.35 O ATOM 1764 CB THR A 117 0.676 7.867 2.064 1.00 13.40 C ATOM 1765 OG1 THR A 117 2.089 8.145 2.104 1.00 71.44 O ATOM 1766 CG2 THR A 117 0.408 6.501 2.695 1.00 34.13 C ATOM 0 H THR A 117 1.780 6.779 -0.079 1.00 23.43 H new ATOM 0 HA THR A 117 -0.925 7.695 0.578 1.00 30.44 H new ATOM 0 HB THR A 117 0.145 8.628 2.636 1.00 13.40 H new ATOM 0 HG1 THR A 117 2.404 8.105 3.031 1.00 71.44 H new ATOM 0 HG21 THR A 117 0.792 6.490 3.715 1.00 34.13 H new ATOM 0 HG22 THR A 117 -0.665 6.311 2.709 1.00 34.13 H new ATOM 0 HG23 THR A 117 0.906 5.727 2.111 1.00 34.13 H new ATOM 1774 N GLU A 118 -0.491 10.271 0.585 1.00 55.10 N ATOM 1775 CA GLU A 118 -0.396 11.727 0.330 1.00 32.42 C ATOM 1776 C GLU A 118 0.967 12.286 0.814 1.00 32.12 C ATOM 1777 O GLU A 118 1.539 13.194 0.200 1.00 2.32 O ATOM 1778 CB GLU A 118 -1.575 12.413 1.069 1.00 75.33 C ATOM 1779 CG GLU A 118 -1.720 13.930 0.857 1.00 12.11 C ATOM 1780 CD GLU A 118 -2.959 14.506 1.570 1.00 53.04 C ATOM 1781 OE1 GLU A 118 -2.937 14.615 2.818 1.00 2.43 O ATOM 1782 OE2 GLU A 118 -3.956 14.840 0.890 1.00 62.14 O ATOM 0 H GLU A 118 -1.258 10.024 1.211 1.00 55.10 H new ATOM 0 HA GLU A 118 -0.457 11.928 -0.740 1.00 32.42 H new ATOM 0 HB2 GLU A 118 -2.502 11.933 0.755 1.00 75.33 H new ATOM 0 HB3 GLU A 118 -1.465 12.225 2.137 1.00 75.33 H new ATOM 0 HG2 GLU A 118 -0.826 14.433 1.225 1.00 12.11 H new ATOM 0 HG3 GLU A 118 -1.788 14.140 -0.210 1.00 12.11 H new ATOM 1789 N ASP A 119 1.472 11.692 1.912 1.00 51.33 N ATOM 1790 CA ASP A 119 2.758 12.047 2.543 1.00 52.44 C ATOM 1791 C ASP A 119 3.973 11.743 1.624 1.00 61.14 C ATOM 1792 O ASP A 119 4.941 12.512 1.594 1.00 14.42 O ATOM 1793 CB ASP A 119 2.886 11.282 3.885 1.00 41.43 C ATOM 1794 CG ASP A 119 4.083 11.747 4.730 1.00 74.34 C ATOM 1795 OD1 ASP A 119 4.016 12.861 5.290 1.00 22.10 O ATOM 1796 OD2 ASP A 119 5.096 11.025 4.822 1.00 14.41 O ATOM 0 H ASP A 119 0.987 10.936 2.395 1.00 51.33 H new ATOM 0 HA ASP A 119 2.766 13.122 2.720 1.00 52.44 H new ATOM 0 HB2 ASP A 119 1.970 11.413 4.460 1.00 41.43 H new ATOM 0 HB3 ASP A 119 2.985 10.216 3.681 1.00 41.43 H new ATOM 1801 N GLU A 120 3.902 10.631 0.860 1.00 61.21 N ATOM 1802 CA GLU A 120 5.034 10.160 0.019 1.00 13.35 C ATOM 1803 C GLU A 120 4.911 10.641 -1.455 1.00 0.53 C ATOM 1804 O GLU A 120 5.684 10.225 -2.326 1.00 43.10 O ATOM 1805 CB GLU A 120 5.149 8.616 0.105 1.00 10.41 C ATOM 1806 CG GLU A 120 4.042 7.817 -0.598 1.00 20.04 C ATOM 1807 CD GLU A 120 4.201 6.299 -0.403 1.00 51.14 C ATOM 1808 OE1 GLU A 120 3.727 5.771 0.636 1.00 35.34 O ATOM 1809 OE2 GLU A 120 4.805 5.639 -1.270 1.00 62.02 O ATOM 0 H GLU A 120 3.073 10.039 0.806 1.00 61.21 H new ATOM 0 HA GLU A 120 5.951 10.602 0.410 1.00 13.35 H new ATOM 0 HB2 GLU A 120 6.108 8.319 -0.319 1.00 10.41 H new ATOM 0 HB3 GLU A 120 5.163 8.331 1.157 1.00 10.41 H new ATOM 0 HG2 GLU A 120 3.071 8.130 -0.214 1.00 20.04 H new ATOM 0 HG3 GLU A 120 4.052 8.047 -1.663 1.00 20.04 H new ATOM 1816 N LEU A 121 3.957 11.556 -1.710 1.00 64.24 N ATOM 1817 CA LEU A 121 3.755 12.198 -3.032 1.00 11.04 C ATOM 1818 C LEU A 121 3.922 13.732 -2.885 1.00 32.42 C ATOM 1819 O LEU A 121 3.836 14.269 -1.775 1.00 60.44 O ATOM 1820 CB LEU A 121 2.332 11.873 -3.587 1.00 25.11 C ATOM 1821 CG LEU A 121 1.993 10.361 -3.821 1.00 54.12 C ATOM 1822 CD1 LEU A 121 0.524 10.176 -4.281 1.00 73.40 C ATOM 1823 CD2 LEU A 121 2.975 9.714 -4.824 1.00 21.45 C ATOM 0 H LEU A 121 3.297 11.876 -1.001 1.00 64.24 H new ATOM 0 HA LEU A 121 4.496 11.811 -3.732 1.00 11.04 H new ATOM 0 HB2 LEU A 121 1.596 12.283 -2.896 1.00 25.11 H new ATOM 0 HB3 LEU A 121 2.208 12.399 -4.533 1.00 25.11 H new ATOM 0 HG LEU A 121 2.108 9.849 -2.866 1.00 54.12 H new ATOM 0 HD11 LEU A 121 0.322 9.116 -4.434 1.00 73.40 H new ATOM 0 HD12 LEU A 121 -0.148 10.567 -3.517 1.00 73.40 H new ATOM 0 HD13 LEU A 121 0.365 10.715 -5.215 1.00 73.40 H new ATOM 0 HD21 LEU A 121 2.713 8.665 -4.965 1.00 21.45 H new ATOM 0 HD22 LEU A 121 2.914 10.235 -5.780 1.00 21.45 H new ATOM 0 HD23 LEU A 121 3.991 9.785 -4.436 1.00 21.45 H new ATOM 1835 N SER A 122 4.137 14.436 -4.009 1.00 4.21 N ATOM 1836 CA SER A 122 4.229 15.922 -4.032 1.00 45.21 C ATOM 1837 C SER A 122 3.485 16.470 -5.262 1.00 30.44 C ATOM 1838 O SER A 122 3.849 16.153 -6.389 1.00 33.23 O ATOM 1839 CB SER A 122 5.716 16.378 -4.069 1.00 73.12 C ATOM 1840 OG SER A 122 6.427 15.972 -2.909 1.00 62.31 O ATOM 0 H SER A 122 4.252 14.003 -4.926 1.00 4.21 H new ATOM 0 HA SER A 122 3.768 16.313 -3.125 1.00 45.21 H new ATOM 0 HB2 SER A 122 6.200 15.964 -4.954 1.00 73.12 H new ATOM 0 HB3 SER A 122 5.760 17.463 -4.160 1.00 73.12 H new ATOM 0 HG SER A 122 7.356 16.276 -2.972 1.00 62.31 H new ATOM 1846 N ALA A 123 2.466 17.321 -5.043 1.00 35.21 N ATOM 1847 CA ALA A 123 1.654 17.889 -6.137 1.00 42.23 C ATOM 1848 C ALA A 123 2.469 18.933 -6.937 1.00 20.40 C ATOM 1849 O ALA A 123 2.877 19.967 -6.393 1.00 41.41 O ATOM 1850 CB ALA A 123 0.350 18.489 -5.575 1.00 64.10 C ATOM 0 H ALA A 123 2.184 17.632 -4.114 1.00 35.21 H new ATOM 0 HA ALA A 123 1.383 17.091 -6.828 1.00 42.23 H new ATOM 0 HB1 ALA A 123 -0.241 18.905 -6.391 1.00 64.10 H new ATOM 0 HB2 ALA A 123 -0.223 17.709 -5.073 1.00 64.10 H new ATOM 0 HB3 ALA A 123 0.590 19.278 -4.862 1.00 64.10 H new ATOM 1856 N LYS A 124 2.734 18.637 -8.223 1.00 31.11 N ATOM 1857 CA LYS A 124 3.549 19.508 -9.096 1.00 61.20 C ATOM 1858 C LYS A 124 2.746 19.993 -10.321 1.00 1.34 C ATOM 1859 O LYS A 124 2.287 19.189 -11.143 1.00 1.11 O ATOM 1860 CB LYS A 124 4.843 18.772 -9.540 1.00 60.30 C ATOM 1861 CG LYS A 124 5.725 19.582 -10.525 1.00 4.11 C ATOM 1862 CD LYS A 124 7.115 18.954 -10.780 1.00 13.44 C ATOM 1863 CE LYS A 124 7.999 18.929 -9.517 1.00 34.43 C ATOM 1864 NZ LYS A 124 9.384 18.491 -9.811 1.00 62.32 N ATOM 0 H LYS A 124 2.393 17.794 -8.685 1.00 31.11 H new ATOM 0 HA LYS A 124 3.830 20.390 -8.520 1.00 61.20 H new ATOM 0 HB2 LYS A 124 5.432 18.530 -8.656 1.00 60.30 H new ATOM 0 HB3 LYS A 124 4.568 17.827 -10.008 1.00 60.30 H new ATOM 0 HG2 LYS A 124 5.199 19.676 -11.475 1.00 4.11 H new ATOM 0 HG3 LYS A 124 5.859 20.590 -10.133 1.00 4.11 H new ATOM 0 HD2 LYS A 124 6.987 17.936 -11.149 1.00 13.44 H new ATOM 0 HD3 LYS A 124 7.624 19.515 -11.564 1.00 13.44 H new ATOM 0 HE2 LYS A 124 8.021 19.924 -9.072 1.00 34.43 H new ATOM 0 HE3 LYS A 124 7.557 18.259 -8.779 1.00 34.43 H new ATOM 0 HZ1 LYS A 124 9.941 18.490 -8.933 1.00 62.32 H new ATOM 0 HZ2 LYS A 124 9.367 17.532 -10.212 1.00 62.32 H new ATOM 0 HZ3 LYS A 124 9.817 19.144 -10.495 1.00 62.32 H new ATOM 1878 N LEU A 125 2.592 21.323 -10.430 1.00 71.53 N ATOM 1879 CA LEU A 125 1.995 21.982 -11.611 1.00 51.41 C ATOM 1880 C LEU A 125 3.111 22.525 -12.543 1.00 5.40 C ATOM 1881 O LEU A 125 4.307 22.403 -12.238 1.00 33.53 O ATOM 1882 CB LEU A 125 1.011 23.130 -11.197 1.00 13.24 C ATOM 1883 CG LEU A 125 1.628 24.463 -10.626 1.00 12.54 C ATOM 1884 CD1 LEU A 125 0.562 25.574 -10.539 1.00 52.53 C ATOM 1885 CD2 LEU A 125 2.299 24.262 -9.248 1.00 12.42 C ATOM 0 H LEU A 125 2.878 21.976 -9.701 1.00 71.53 H new ATOM 0 HA LEU A 125 1.414 21.236 -12.153 1.00 51.41 H new ATOM 0 HB2 LEU A 125 0.411 23.387 -12.070 1.00 13.24 H new ATOM 0 HB3 LEU A 125 0.328 22.730 -10.447 1.00 13.24 H new ATOM 0 HG LEU A 125 2.405 24.769 -11.327 1.00 12.54 H new ATOM 0 HD11 LEU A 125 1.015 26.482 -10.142 1.00 52.53 H new ATOM 0 HD12 LEU A 125 0.162 25.773 -11.533 1.00 52.53 H new ATOM 0 HD13 LEU A 125 -0.245 25.253 -9.880 1.00 52.53 H new ATOM 0 HD21 LEU A 125 2.708 25.211 -8.900 1.00 12.42 H new ATOM 0 HD22 LEU A 125 1.560 23.901 -8.533 1.00 12.42 H new ATOM 0 HD23 LEU A 125 3.103 23.532 -9.338 1.00 12.42 H new ATOM 1897 N GLU A 126 2.699 23.116 -13.674 1.00 24.14 N ATOM 1898 CA GLU A 126 3.617 23.706 -14.676 1.00 32.03 C ATOM 1899 C GLU A 126 4.381 24.927 -14.100 1.00 12.44 C ATOM 1900 O GLU A 126 3.828 25.707 -13.313 1.00 43.21 O ATOM 1901 CB GLU A 126 2.804 24.129 -15.923 1.00 24.03 C ATOM 1902 CG GLU A 126 1.959 22.996 -16.547 1.00 41.12 C ATOM 1903 CD GLU A 126 1.006 23.490 -17.648 1.00 52.01 C ATOM 1904 OE1 GLU A 126 0.000 24.155 -17.322 1.00 53.11 O ATOM 1905 OE2 GLU A 126 1.255 23.226 -18.842 1.00 32.22 O ATOM 0 H GLU A 126 1.714 23.202 -13.927 1.00 24.14 H new ATOM 0 HA GLU A 126 4.357 22.955 -14.950 1.00 32.03 H new ATOM 0 HB2 GLU A 126 2.142 24.951 -15.649 1.00 24.03 H new ATOM 0 HB3 GLU A 126 3.491 24.511 -16.678 1.00 24.03 H new ATOM 0 HG2 GLU A 126 2.626 22.241 -16.964 1.00 41.12 H new ATOM 0 HG3 GLU A 126 1.378 22.510 -15.763 1.00 41.12 H new ATOM 1912 N HIS A 127 5.658 25.074 -14.490 1.00 73.51 N ATOM 1913 CA HIS A 127 6.502 26.229 -14.101 1.00 64.04 C ATOM 1914 C HIS A 127 6.094 27.495 -14.890 1.00 14.12 C ATOM 1915 O HIS A 127 5.496 27.389 -15.971 1.00 51.42 O ATOM 1916 CB HIS A 127 7.997 25.911 -14.342 1.00 22.53 C ATOM 1917 CG HIS A 127 8.555 24.823 -13.463 1.00 71.21 C ATOM 1918 ND1 HIS A 127 9.663 24.996 -12.664 1.00 44.24 N ATOM 1919 CD2 HIS A 127 8.169 23.540 -13.279 1.00 75.21 C ATOM 1920 CE1 HIS A 127 9.927 23.878 -12.031 1.00 60.42 C ATOM 1921 NE2 HIS A 127 9.038 22.978 -12.383 1.00 73.14 N ATOM 0 H HIS A 127 6.139 24.399 -15.084 1.00 73.51 H new ATOM 0 HA HIS A 127 6.350 26.419 -13.039 1.00 64.04 H new ATOM 0 HB2 HIS A 127 8.130 25.622 -15.385 1.00 22.53 H new ATOM 0 HB3 HIS A 127 8.578 26.820 -14.186 1.00 22.53 H new ATOM 0 HD2 HIS A 127 7.331 23.050 -13.751 1.00 75.21 H new ATOM 0 HE1 HIS A 127 10.740 23.724 -11.337 1.00 60.42 H new ATOM 0 HE2 HIS A 127 9.001 22.017 -12.044 1.00 73.14 H new ATOM 1930 N HIS A 128 6.438 28.687 -14.352 1.00 41.13 N ATOM 1931 CA HIS A 128 6.043 29.982 -14.949 1.00 43.22 C ATOM 1932 C HIS A 128 6.808 30.251 -16.279 1.00 64.05 C ATOM 1933 O HIS A 128 7.838 30.930 -16.310 1.00 33.42 O ATOM 1934 CB HIS A 128 6.246 31.129 -13.920 1.00 43.52 C ATOM 1935 CG HIS A 128 5.684 32.468 -14.351 1.00 64.41 C ATOM 1936 ND1 HIS A 128 6.471 33.564 -14.626 1.00 3.13 N ATOM 1937 CD2 HIS A 128 4.405 32.881 -14.531 1.00 52.45 C ATOM 1938 CE1 HIS A 128 5.712 34.586 -14.950 1.00 2.44 C ATOM 1939 NE2 HIS A 128 4.459 34.201 -14.903 1.00 12.01 N ATOM 0 H HIS A 128 6.992 28.778 -13.500 1.00 41.13 H new ATOM 0 HA HIS A 128 4.983 29.940 -15.201 1.00 43.22 H new ATOM 0 HB2 HIS A 128 5.781 30.841 -12.977 1.00 43.52 H new ATOM 0 HB3 HIS A 128 7.313 31.242 -13.727 1.00 43.52 H new ATOM 0 HD2 HIS A 128 3.513 32.285 -14.405 1.00 52.45 H new ATOM 0 HE1 HIS A 128 6.060 35.575 -15.211 1.00 2.44 H new ATOM 0 HE2 HIS A 128 3.652 34.790 -15.110 1.00 12.01 H new ATOM 1948 N HIS A 129 6.290 29.653 -17.366 1.00 15.22 N ATOM 1949 CA HIS A 129 6.823 29.802 -18.741 1.00 54.43 C ATOM 1950 C HIS A 129 5.653 30.086 -19.725 1.00 41.31 C ATOM 1951 O HIS A 129 5.875 30.425 -20.893 1.00 73.34 O ATOM 1952 CB HIS A 129 7.616 28.521 -19.131 1.00 74.54 C ATOM 1953 CG HIS A 129 8.446 28.639 -20.389 1.00 70.32 C ATOM 1954 ND1 HIS A 129 8.211 27.896 -21.528 1.00 22.45 N ATOM 1955 CD2 HIS A 129 9.540 29.397 -20.667 1.00 33.14 C ATOM 1956 CE1 HIS A 129 9.115 28.187 -22.443 1.00 30.25 C ATOM 1957 NE2 HIS A 129 9.929 29.092 -21.948 1.00 21.13 N ATOM 0 H HIS A 129 5.475 29.041 -17.318 1.00 15.22 H new ATOM 0 HA HIS A 129 7.510 30.647 -18.791 1.00 54.43 H new ATOM 0 HB2 HIS A 129 8.274 28.254 -18.304 1.00 74.54 H new ATOM 0 HB3 HIS A 129 6.911 27.699 -19.255 1.00 74.54 H new ATOM 0 HD2 HIS A 129 10.014 30.106 -20.004 1.00 33.14 H new ATOM 0 HE1 HIS A 129 9.176 27.755 -23.431 1.00 30.25 H new ATOM 0 HE2 HIS A 129 10.724 29.503 -22.438 1.00 21.13 H new ATOM 1966 N HIS A 130 4.400 29.929 -19.231 1.00 22.14 N ATOM 1967 CA HIS A 130 3.179 30.367 -19.947 1.00 41.24 C ATOM 1968 C HIS A 130 3.057 31.911 -19.939 1.00 14.01 C ATOM 1969 O HIS A 130 3.685 32.597 -19.119 1.00 60.12 O ATOM 1970 CB HIS A 130 1.911 29.728 -19.312 1.00 43.55 C ATOM 1971 CG HIS A 130 1.711 28.268 -19.632 1.00 64.32 C ATOM 1972 ND1 HIS A 130 0.667 27.805 -20.402 1.00 1.02 N ATOM 1973 CD2 HIS A 130 2.408 27.163 -19.256 1.00 23.53 C ATOM 1974 CE1 HIS A 130 0.727 26.493 -20.491 1.00 1.51 C ATOM 1975 NE2 HIS A 130 1.774 26.080 -19.809 1.00 31.23 N ATOM 0 H HIS A 130 4.209 29.496 -18.327 1.00 22.14 H new ATOM 0 HA HIS A 130 3.260 30.032 -20.981 1.00 41.24 H new ATOM 0 HB2 HIS A 130 1.966 29.844 -18.230 1.00 43.55 H new ATOM 0 HB3 HIS A 130 1.035 30.283 -19.648 1.00 43.55 H new ATOM 0 HD2 HIS A 130 3.294 27.142 -18.638 1.00 23.53 H new ATOM 0 HE1 HIS A 130 0.035 25.863 -21.031 1.00 1.51 H new ATOM 0 HE2 HIS A 130 2.067 25.108 -19.708 1.00 31.23 H new ATOM 1984 N HIS A 131 2.236 32.441 -20.856 1.00 35.21 N ATOM 1985 CA HIS A 131 2.024 33.894 -21.020 1.00 75.23 C ATOM 1986 C HIS A 131 0.958 34.418 -20.017 1.00 35.33 C ATOM 1987 O HIS A 131 -0.214 34.613 -20.377 1.00 1.31 O ATOM 1988 CB HIS A 131 1.618 34.204 -22.488 1.00 31.34 C ATOM 1989 CG HIS A 131 2.620 33.734 -23.514 1.00 1.24 C ATOM 1990 ND1 HIS A 131 2.313 32.827 -24.505 1.00 12.34 N ATOM 1991 CD2 HIS A 131 3.916 34.070 -23.716 1.00 13.12 C ATOM 1992 CE1 HIS A 131 3.365 32.629 -25.268 1.00 34.41 C ATOM 1993 NE2 HIS A 131 4.353 33.372 -24.815 1.00 65.02 N ATOM 0 H HIS A 131 1.696 31.875 -21.510 1.00 35.21 H new ATOM 0 HA HIS A 131 2.957 34.413 -20.801 1.00 75.23 H new ATOM 0 HB2 HIS A 131 0.655 33.736 -22.694 1.00 31.34 H new ATOM 0 HB3 HIS A 131 1.480 35.280 -22.596 1.00 31.34 H new ATOM 0 HD2 HIS A 131 4.498 34.759 -23.123 1.00 13.12 H new ATOM 0 HE1 HIS A 131 3.411 31.969 -26.122 1.00 34.41 H new ATOM 0 HE2 HIS A 131 5.290 33.421 -25.215 1.00 65.02 H new ATOM 2002 N HIS A 132 1.382 34.583 -18.742 1.00 61.14 N ATOM 2003 CA HIS A 132 0.529 35.131 -17.650 1.00 62.21 C ATOM 2004 C HIS A 132 1.410 35.486 -16.399 1.00 61.20 C ATOM 2005 O HIS A 132 1.944 36.615 -16.333 1.00 38.57 O ATOM 2006 CB HIS A 132 -0.612 34.127 -17.288 1.00 50.32 C ATOM 2007 CG HIS A 132 -1.651 34.671 -16.338 1.00 72.11 C ATOM 2008 ND1 HIS A 132 -1.503 34.641 -14.969 1.00 63.22 N ATOM 2009 CD2 HIS A 132 -2.855 35.250 -16.564 1.00 32.32 C ATOM 2010 CE1 HIS A 132 -2.561 35.168 -14.397 1.00 22.03 C ATOM 2011 NE2 HIS A 132 -3.398 35.546 -15.338 1.00 23.54 N ATOM 2012 OXT HIS A 132 1.582 34.630 -15.495 1.00 38.57 O ATOM 0 H HIS A 132 2.325 34.341 -18.437 1.00 61.14 H new ATOM 0 HA HIS A 132 0.057 36.050 -17.996 1.00 62.21 H new ATOM 0 HB2 HIS A 132 -1.108 33.814 -18.207 1.00 50.32 H new ATOM 0 HB3 HIS A 132 -0.167 33.235 -16.847 1.00 50.32 H new ATOM 0 HD2 HIS A 132 -3.303 35.443 -17.527 1.00 32.32 H new ATOM 0 HE1 HIS A 132 -2.717 35.273 -13.334 1.00 22.03 H new ATOM 0 HE2 HIS A 132 -4.304 35.988 -15.182 1.00 23.54 H new TER 2021 HIS A 132