USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=45 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 10 ASN : amide:sc= -0.576 K(o=-0.24,f=-2.8!) USER MOD Set 1.2: A 130 HIS : no HD1:sc= 0.335 K(o=-0.24,f=-2) USER MOD Set 1.3: A 131 HIS : no HD1:sc=-0.00054 X(o=-0.24,f=-0.56) USER MOD Set 2.1: A 17 MET CE :methyl -172:sc= -0.67 (180deg=-1.14) USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= -0.176 USER MOD Set 2.3: A 113 HIS : no HD1:sc= -0.0821 K(o=-0.93,f=-3.8) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -108:sc= 0.117 (180deg=-0.0301) USER MOD Set 3.2: A 105 THR OG1 : rot 78:sc= 0.0955 USER MOD Set 3.3: A 106 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 37 TYR OH : rot -92:sc= 0.59 USER MOD Set 4.2: A 49 HIS : no HD1:sc= -0.169 K(o=-0.24,f=-7.1!) USER MOD Set 4.3: A 77 HIS : no HD1:sc= 0.108 K(o=-0.24,f=-5.7) USER MOD Set 4.4: A 78 MET CE :methyl -136:sc= -0.764 (180deg=-0.0913) USER MOD Set 4.5: A 81 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 5.1: A 33 TYR OH : rot -165:sc= 1.4 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.0321 K(o=1.4,f=-1.2) USER MOD Set 6.1: A 31 THR OG1 : rot -50:sc= 0.845 USER MOD Set 6.2: A 93 LYS NZ :NH3+ 175:sc= 0.968 (180deg=-0.00534) USER MOD Set 7.1: A 25 THR OG1 : rot -20:sc= -0.361 USER MOD Set 7.2: A 28 TYR OH : rot 180:sc=-0.00979 USER MOD Set 7.3: A 98 MET CE :methyl 140:sc= -0.285 (180deg=-1.01) USER MOD Set 8.1: A 6 GLN : amide:sc= 0 X(o=-0.92,f=-1.1) USER MOD Set 8.2: A 23 THR OG1 : rot 170:sc= -0.922 USER MOD Set 9.1: A 1 MET N :NH3+ 171:sc= 1.68 (180deg=0.0687) USER MOD Set 9.2: A 97 TYR OH : rot 13:sc= 0.995 USER MOD Single : A 1 MET CE :methyl 163:sc=-0.00953 (180deg=-0.101) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 86:sc= 0.163 USER MOD Single : A 11 THR OG1 : rot 174:sc= -0.0462 USER MOD Single : A 12 SER OG : rot 90:sc= -0.0618 USER MOD Single : A 13 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-1) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0.65 (180deg=0.231) USER MOD Single : A 30 THR OG1 : rot 147:sc= 0.0173 USER MOD Single : A 36 SER OG : rot 25:sc= 0.132 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00773 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.111 K(o=0.11,f=-0.63) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00365) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0664) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0.0145 (180deg=0.0114) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.236 X(o=0.24,f=-0.0022) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 33:sc= 0.17 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0176 (180deg=-0.204) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 94 THR OG1 : rot 170:sc=-0.00284 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -71:sc= -0.62 USER MOD Single : A 104 THR OG1 : rot -66:sc= 0.241 USER MOD Single : A 109 LYS NZ :NH3+ -162:sc= 0.387 (180deg=0.249) USER MOD Single : A 111 LYS NZ :NH3+ 157:sc= 0.567 (180deg=0.356) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 122 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0.095 (180deg=0.095) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= 0.0971 K(o=0.097,f=-1.1) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 132 HIS : no HD1:sc=-0.00565 X(o=-0.0056,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.564 15.668 -2.684 1.00 15.51 N ATOM 2 CA MET A 1 -4.693 15.520 -4.160 1.00 35.33 C ATOM 3 C MET A 1 -6.078 14.952 -4.539 1.00 52.22 C ATOM 4 O MET A 1 -6.682 14.205 -3.762 1.00 32.51 O ATOM 5 CB MET A 1 -3.580 14.604 -4.738 1.00 44.41 C ATOM 6 CG MET A 1 -2.140 15.028 -4.423 1.00 2.32 C ATOM 7 SD MET A 1 -1.694 14.814 -2.685 1.00 13.30 S ATOM 8 CE MET A 1 0.087 15.088 -2.732 1.00 43.50 C ATOM 0 H1 MET A 1 -3.580 15.905 -2.443 1.00 15.51 H new ATOM 0 H2 MET A 1 -5.193 16.428 -2.355 1.00 15.51 H new ATOM 0 H3 MET A 1 -4.828 14.775 -2.221 1.00 15.51 H new ATOM 0 HA MET A 1 -4.585 16.514 -4.593 1.00 35.33 H new ATOM 0 HB2 MET A 1 -3.733 13.594 -4.359 1.00 44.41 H new ATOM 0 HB3 MET A 1 -3.698 14.559 -5.821 1.00 44.41 H new ATOM 0 HG2 MET A 1 -1.455 14.448 -5.041 1.00 2.32 H new ATOM 0 HG3 MET A 1 -2.009 16.074 -4.698 1.00 2.32 H new ATOM 0 HE1 MET A 1 0.451 15.287 -1.724 1.00 43.50 H new ATOM 0 HE2 MET A 1 0.581 14.201 -3.128 1.00 43.50 H new ATOM 0 HE3 MET A 1 0.307 15.942 -3.373 1.00 43.50 H new ATOM 20 N LYS A 2 -6.564 15.304 -5.745 1.00 51.20 N ATOM 21 CA LYS A 2 -7.855 14.810 -6.287 1.00 23.50 C ATOM 22 C LYS A 2 -7.607 13.817 -7.455 1.00 72.14 C ATOM 23 O LYS A 2 -6.489 13.733 -7.976 1.00 64.20 O ATOM 24 CB LYS A 2 -8.717 16.027 -6.753 1.00 53.11 C ATOM 25 CG LYS A 2 -10.154 15.683 -7.217 1.00 25.22 C ATOM 26 CD LYS A 2 -10.999 16.933 -7.541 1.00 72.33 C ATOM 27 CE LYS A 2 -12.434 16.581 -7.976 1.00 72.14 C ATOM 28 NZ LYS A 2 -13.262 17.785 -8.244 1.00 74.54 N ATOM 0 H LYS A 2 -6.075 15.940 -6.376 1.00 51.20 H new ATOM 0 HA LYS A 2 -8.397 14.274 -5.508 1.00 23.50 H new ATOM 0 HB2 LYS A 2 -8.779 16.742 -5.933 1.00 53.11 H new ATOM 0 HB3 LYS A 2 -8.198 16.526 -7.572 1.00 53.11 H new ATOM 0 HG2 LYS A 2 -10.102 15.047 -8.101 1.00 25.22 H new ATOM 0 HG3 LYS A 2 -10.653 15.106 -6.438 1.00 25.22 H new ATOM 0 HD2 LYS A 2 -11.037 17.579 -6.664 1.00 72.33 H new ATOM 0 HD3 LYS A 2 -10.512 17.501 -8.334 1.00 72.33 H new ATOM 0 HE2 LYS A 2 -12.396 15.964 -8.873 1.00 72.14 H new ATOM 0 HE3 LYS A 2 -12.909 15.984 -7.198 1.00 72.14 H new ATOM 0 HZ1 LYS A 2 -14.217 17.492 -8.533 1.00 74.54 H new ATOM 0 HZ2 LYS A 2 -13.323 18.363 -7.382 1.00 74.54 H new ATOM 0 HZ3 LYS A 2 -12.826 18.344 -9.005 1.00 74.54 H new ATOM 42 N VAL A 3 -8.639 13.032 -7.840 1.00 43.13 N ATOM 43 CA VAL A 3 -8.573 12.162 -9.036 1.00 41.44 C ATOM 44 C VAL A 3 -8.375 13.018 -10.325 1.00 23.32 C ATOM 45 O VAL A 3 -9.172 13.910 -10.627 1.00 11.11 O ATOM 46 CB VAL A 3 -9.858 11.252 -9.172 1.00 35.23 C ATOM 47 CG1 VAL A 3 -9.752 10.298 -10.393 1.00 75.41 C ATOM 48 CG2 VAL A 3 -10.119 10.454 -7.868 1.00 2.10 C ATOM 0 H VAL A 3 -9.527 12.983 -7.340 1.00 43.13 H new ATOM 0 HA VAL A 3 -7.714 11.503 -8.913 1.00 41.44 H new ATOM 0 HB VAL A 3 -10.709 11.912 -9.340 1.00 35.23 H new ATOM 0 HG11 VAL A 3 -10.652 9.687 -10.457 1.00 75.41 H new ATOM 0 HG12 VAL A 3 -9.647 10.885 -11.305 1.00 75.41 H new ATOM 0 HG13 VAL A 3 -8.882 9.652 -10.275 1.00 75.41 H new ATOM 0 HG21 VAL A 3 -11.009 9.837 -7.991 1.00 2.10 H new ATOM 0 HG22 VAL A 3 -9.262 9.816 -7.654 1.00 2.10 H new ATOM 0 HG23 VAL A 3 -10.270 11.148 -7.041 1.00 2.10 H new ATOM 58 N GLY A 4 -7.295 12.718 -11.066 1.00 35.22 N ATOM 59 CA GLY A 4 -6.889 13.497 -12.250 1.00 22.11 C ATOM 60 C GLY A 4 -5.709 14.444 -11.987 1.00 64.20 C ATOM 61 O GLY A 4 -5.224 15.103 -12.913 1.00 55.40 O ATOM 0 H GLY A 4 -6.679 11.931 -10.862 1.00 35.22 H new ATOM 0 HA2 GLY A 4 -6.621 12.810 -13.052 1.00 22.11 H new ATOM 0 HA3 GLY A 4 -7.741 14.080 -12.601 1.00 22.11 H new ATOM 65 N SER A 5 -5.250 14.525 -10.723 1.00 54.41 N ATOM 66 CA SER A 5 -4.077 15.357 -10.332 1.00 54.22 C ATOM 67 C SER A 5 -2.744 14.611 -10.585 1.00 40.44 C ATOM 68 O SER A 5 -2.654 13.407 -10.363 1.00 14.15 O ATOM 69 CB SER A 5 -4.168 15.745 -8.836 1.00 31.44 C ATOM 70 OG SER A 5 -5.358 16.473 -8.549 1.00 3.54 O ATOM 0 H SER A 5 -5.673 14.022 -9.943 1.00 54.41 H new ATOM 0 HA SER A 5 -4.094 16.256 -10.948 1.00 54.22 H new ATOM 0 HB2 SER A 5 -4.137 14.843 -8.224 1.00 31.44 H new ATOM 0 HB3 SER A 5 -3.300 16.345 -8.563 1.00 31.44 H new ATOM 0 HG SER A 5 -6.089 15.846 -8.365 1.00 3.54 H new ATOM 76 N GLN A 6 -1.705 15.347 -11.023 1.00 60.31 N ATOM 77 CA GLN A 6 -0.359 14.777 -11.289 1.00 64.44 C ATOM 78 C GLN A 6 0.659 15.246 -10.230 1.00 61.13 C ATOM 79 O GLN A 6 0.720 16.425 -9.875 1.00 64.13 O ATOM 80 CB GLN A 6 0.130 15.118 -12.722 1.00 53.34 C ATOM 81 CG GLN A 6 -0.690 14.437 -13.834 1.00 25.11 C ATOM 82 CD GLN A 6 -0.138 14.645 -15.249 1.00 31.42 C ATOM 83 OE1 GLN A 6 0.463 15.669 -15.564 1.00 63.44 O ATOM 84 NE2 GLN A 6 -0.337 13.668 -16.116 1.00 34.10 N ATOM 0 H GLN A 6 -1.768 16.349 -11.203 1.00 60.31 H new ATOM 0 HA GLN A 6 -0.442 13.692 -11.220 1.00 64.44 H new ATOM 0 HB2 GLN A 6 0.090 16.198 -12.863 1.00 53.34 H new ATOM 0 HB3 GLN A 6 1.175 14.822 -12.820 1.00 53.34 H new ATOM 0 HG2 GLN A 6 -0.737 13.367 -13.630 1.00 25.11 H new ATOM 0 HG3 GLN A 6 -1.712 14.814 -13.797 1.00 25.11 H new ATOM 0 HE21 GLN A 6 -0.839 12.827 -15.831 1.00 34.10 H new ATOM 0 HE22 GLN A 6 0.011 13.755 -17.071 1.00 34.10 H new ATOM 93 N VAL A 7 1.468 14.289 -9.755 1.00 15.35 N ATOM 94 CA VAL A 7 2.381 14.447 -8.610 1.00 60.24 C ATOM 95 C VAL A 7 3.727 13.743 -8.891 1.00 33.13 C ATOM 96 O VAL A 7 3.797 12.821 -9.700 1.00 64.55 O ATOM 97 CB VAL A 7 1.743 13.852 -7.284 1.00 62.53 C ATOM 98 CG1 VAL A 7 0.508 14.667 -6.832 1.00 22.22 C ATOM 99 CG2 VAL A 7 1.378 12.350 -7.445 1.00 14.34 C ATOM 0 H VAL A 7 1.508 13.357 -10.167 1.00 15.35 H new ATOM 0 HA VAL A 7 2.552 15.514 -8.469 1.00 60.24 H new ATOM 0 HB VAL A 7 2.502 13.930 -6.506 1.00 62.53 H new ATOM 0 HG11 VAL A 7 0.098 14.231 -5.921 1.00 22.22 H new ATOM 0 HG12 VAL A 7 0.803 15.698 -6.639 1.00 22.22 H new ATOM 0 HG13 VAL A 7 -0.248 14.647 -7.617 1.00 22.22 H new ATOM 0 HG21 VAL A 7 0.944 11.979 -6.516 1.00 14.34 H new ATOM 0 HG22 VAL A 7 0.656 12.236 -8.254 1.00 14.34 H new ATOM 0 HG23 VAL A 7 2.277 11.780 -7.678 1.00 14.34 H new ATOM 109 N ILE A 8 4.794 14.201 -8.225 1.00 52.13 N ATOM 110 CA ILE A 8 6.105 13.513 -8.224 1.00 14.34 C ATOM 111 C ILE A 8 6.250 12.667 -6.935 1.00 73.13 C ATOM 112 O ILE A 8 5.985 13.150 -5.833 1.00 51.10 O ATOM 113 CB ILE A 8 7.293 14.543 -8.330 1.00 32.00 C ATOM 114 CG1 ILE A 8 7.142 15.435 -9.608 1.00 24.35 C ATOM 115 CG2 ILE A 8 8.676 13.831 -8.307 1.00 65.42 C ATOM 116 CD1 ILE A 8 7.150 14.673 -10.930 1.00 44.33 C ATOM 0 H ILE A 8 4.780 15.057 -7.670 1.00 52.13 H new ATOM 0 HA ILE A 8 6.148 12.860 -9.096 1.00 14.34 H new ATOM 0 HB ILE A 8 7.247 15.190 -7.454 1.00 32.00 H new ATOM 0 HG12 ILE A 8 6.210 15.995 -9.534 1.00 24.35 H new ATOM 0 HG13 ILE A 8 7.952 16.165 -9.621 1.00 24.35 H new ATOM 0 HG21 ILE A 8 9.469 14.575 -8.382 1.00 65.42 H new ATOM 0 HG22 ILE A 8 8.785 13.277 -7.374 1.00 65.42 H new ATOM 0 HG23 ILE A 8 8.744 13.141 -9.148 1.00 65.42 H new ATOM 0 HD11 ILE A 8 7.040 15.376 -11.756 1.00 44.33 H new ATOM 0 HD12 ILE A 8 8.092 14.135 -11.034 1.00 44.33 H new ATOM 0 HD13 ILE A 8 6.323 13.963 -10.946 1.00 44.33 H new ATOM 128 N ILE A 9 6.678 11.405 -7.080 1.00 50.20 N ATOM 129 CA ILE A 9 6.774 10.468 -5.945 1.00 30.12 C ATOM 130 C ILE A 9 8.089 10.705 -5.160 1.00 35.24 C ATOM 131 O ILE A 9 9.182 10.649 -5.734 1.00 72.52 O ATOM 132 CB ILE A 9 6.690 8.978 -6.424 1.00 21.14 C ATOM 133 CG1 ILE A 9 5.452 8.770 -7.367 1.00 41.33 C ATOM 134 CG2 ILE A 9 6.639 8.019 -5.204 1.00 43.23 C ATOM 135 CD1 ILE A 9 5.343 7.391 -7.999 1.00 11.33 C ATOM 0 H ILE A 9 6.965 11.006 -7.974 1.00 50.20 H new ATOM 0 HA ILE A 9 5.927 10.656 -5.285 1.00 30.12 H new ATOM 0 HB ILE A 9 7.587 8.744 -6.997 1.00 21.14 H new ATOM 0 HG12 ILE A 9 4.544 8.963 -6.796 1.00 41.33 H new ATOM 0 HG13 ILE A 9 5.492 9.514 -8.162 1.00 41.33 H new ATOM 0 HG21 ILE A 9 6.581 6.988 -5.554 1.00 43.23 H new ATOM 0 HG22 ILE A 9 7.539 8.148 -4.602 1.00 43.23 H new ATOM 0 HG23 ILE A 9 5.762 8.247 -4.599 1.00 43.23 H new ATOM 0 HD11 ILE A 9 4.456 7.350 -8.631 1.00 11.33 H new ATOM 0 HD12 ILE A 9 6.229 7.197 -8.604 1.00 11.33 H new ATOM 0 HD13 ILE A 9 5.266 6.637 -7.216 1.00 11.33 H new ATOM 147 N ASN A 10 7.965 10.976 -3.848 1.00 52.13 N ATOM 148 CA ASN A 10 9.115 11.294 -2.967 1.00 52.02 C ATOM 149 C ASN A 10 9.603 10.021 -2.246 1.00 73.44 C ATOM 150 O ASN A 10 10.755 9.603 -2.397 1.00 70.01 O ATOM 151 CB ASN A 10 8.690 12.373 -1.937 1.00 20.34 C ATOM 152 CG ASN A 10 9.791 12.767 -0.942 1.00 61.03 C ATOM 153 OD1 ASN A 10 10.975 12.792 -1.261 1.00 65.52 O ATOM 154 ND2 ASN A 10 9.400 13.061 0.281 1.00 42.04 N ATOM 0 H ASN A 10 7.067 10.982 -3.364 1.00 52.13 H new ATOM 0 HA ASN A 10 9.937 11.680 -3.570 1.00 52.02 H new ATOM 0 HB2 ASN A 10 8.367 13.264 -2.475 1.00 20.34 H new ATOM 0 HB3 ASN A 10 7.828 12.007 -1.380 1.00 20.34 H new ATOM 0 HD21 ASN A 10 10.088 13.317 0.989 1.00 42.04 H new ATOM 0 HD22 ASN A 10 8.409 13.033 0.520 1.00 42.04 H new ATOM 161 N THR A 11 8.698 9.417 -1.463 1.00 1.35 N ATOM 162 CA THR A 11 8.967 8.184 -0.698 1.00 40.14 C ATOM 163 C THR A 11 8.416 6.996 -1.500 1.00 35.31 C ATOM 164 O THR A 11 7.319 7.088 -2.066 1.00 15.35 O ATOM 165 CB THR A 11 8.286 8.236 0.712 1.00 43.20 C ATOM 166 OG1 THR A 11 8.735 9.392 1.445 1.00 40.41 O ATOM 167 CG2 THR A 11 8.554 6.969 1.539 1.00 73.54 C ATOM 0 H THR A 11 7.749 9.771 -1.340 1.00 1.35 H new ATOM 0 HA THR A 11 10.041 8.079 -0.543 1.00 40.14 H new ATOM 0 HB THR A 11 7.212 8.301 0.540 1.00 43.20 H new ATOM 0 HG1 THR A 11 8.227 9.467 2.280 1.00 40.41 H new ATOM 0 HG21 THR A 11 8.060 7.055 2.507 1.00 73.54 H new ATOM 0 HG22 THR A 11 8.165 6.100 1.009 1.00 73.54 H new ATOM 0 HG23 THR A 11 9.627 6.852 1.688 1.00 73.54 H new ATOM 175 N SER A 12 9.145 5.871 -1.528 1.00 33.24 N ATOM 176 CA SER A 12 8.852 4.782 -2.483 1.00 22.22 C ATOM 177 C SER A 12 8.991 3.378 -1.888 1.00 10.54 C ATOM 178 O SER A 12 9.917 3.081 -1.129 1.00 64.30 O ATOM 179 CB SER A 12 9.761 4.931 -3.717 1.00 31.51 C ATOM 180 OG SER A 12 9.447 6.111 -4.435 1.00 10.24 O ATOM 0 H SER A 12 9.935 5.688 -0.909 1.00 33.24 H new ATOM 0 HA SER A 12 7.803 4.881 -2.762 1.00 22.22 H new ATOM 0 HB2 SER A 12 10.805 4.958 -3.404 1.00 31.51 H new ATOM 0 HB3 SER A 12 9.645 4.063 -4.366 1.00 31.51 H new ATOM 0 HG SER A 12 9.985 6.855 -4.092 1.00 10.24 H new ATOM 186 N HIS A 13 8.037 2.518 -2.287 1.00 54.44 N ATOM 187 CA HIS A 13 7.977 1.097 -1.896 1.00 20.12 C ATOM 188 C HIS A 13 8.732 0.217 -2.932 1.00 15.25 C ATOM 189 O HIS A 13 9.042 -0.944 -2.666 1.00 71.42 O ATOM 190 CB HIS A 13 6.489 0.663 -1.783 1.00 41.43 C ATOM 191 CG HIS A 13 5.619 1.609 -0.972 1.00 52.22 C ATOM 192 ND1 HIS A 13 4.267 1.680 -1.174 1.00 15.20 N ATOM 193 CD2 HIS A 13 5.957 2.491 0.011 1.00 3.33 C ATOM 194 CE1 HIS A 13 3.815 2.579 -0.321 1.00 14.12 C ATOM 195 NE2 HIS A 13 4.799 3.094 0.418 1.00 63.10 N ATOM 0 H HIS A 13 7.272 2.796 -2.902 1.00 54.44 H new ATOM 0 HA HIS A 13 8.463 0.964 -0.929 1.00 20.12 H new ATOM 0 HB2 HIS A 13 6.072 0.575 -2.786 1.00 41.43 H new ATOM 0 HB3 HIS A 13 6.446 -0.328 -1.332 1.00 41.43 H new ATOM 0 HD2 HIS A 13 6.949 2.678 0.395 1.00 3.33 H new ATOM 0 HE1 HIS A 13 2.777 2.863 -0.232 1.00 14.12 H new ATOM 0 HE2 HIS A 13 4.706 3.802 1.147 1.00 63.10 H new ATOM 203 N MET A 14 9.000 0.801 -4.122 1.00 61.54 N ATOM 204 CA MET A 14 9.752 0.154 -5.232 1.00 34.13 C ATOM 205 C MET A 14 10.930 1.058 -5.680 1.00 2.12 C ATOM 206 O MET A 14 10.879 2.285 -5.513 1.00 43.12 O ATOM 207 CB MET A 14 8.809 -0.120 -6.445 1.00 45.01 C ATOM 208 CG MET A 14 7.657 -1.095 -6.158 1.00 62.44 C ATOM 209 SD MET A 14 8.247 -2.726 -5.648 1.00 61.44 S ATOM 210 CE MET A 14 6.705 -3.591 -5.337 1.00 53.41 C ATOM 0 H MET A 14 8.697 1.749 -4.346 1.00 61.54 H new ATOM 0 HA MET A 14 10.147 -0.796 -4.871 1.00 34.13 H new ATOM 0 HB2 MET A 14 8.389 0.828 -6.782 1.00 45.01 H new ATOM 0 HB3 MET A 14 9.404 -0.515 -7.268 1.00 45.01 H new ATOM 0 HG2 MET A 14 7.020 -0.681 -5.376 1.00 62.44 H new ATOM 0 HG3 MET A 14 7.040 -1.197 -7.051 1.00 62.44 H new ATOM 0 HE1 MET A 14 6.918 -4.610 -5.015 1.00 53.41 H new ATOM 0 HE2 MET A 14 6.148 -3.073 -4.556 1.00 53.41 H new ATOM 0 HE3 MET A 14 6.111 -3.616 -6.251 1.00 53.41 H new ATOM 220 N LYS A 15 11.975 0.443 -6.277 1.00 12.21 N ATOM 221 CA LYS A 15 13.176 1.175 -6.772 1.00 45.12 C ATOM 222 C LYS A 15 12.843 2.106 -7.975 1.00 43.14 C ATOM 223 O LYS A 15 13.378 3.213 -8.084 1.00 72.23 O ATOM 224 CB LYS A 15 14.307 0.168 -7.152 1.00 3.14 C ATOM 225 CG LYS A 15 13.900 -0.913 -8.185 1.00 51.34 C ATOM 226 CD LYS A 15 15.066 -1.858 -8.564 1.00 62.04 C ATOM 227 CE LYS A 15 14.630 -3.001 -9.501 1.00 73.22 C ATOM 228 NZ LYS A 15 14.002 -2.505 -10.755 1.00 53.43 N ATOM 0 H LYS A 15 12.016 -0.564 -6.431 1.00 12.21 H new ATOM 0 HA LYS A 15 13.526 1.813 -5.961 1.00 45.12 H new ATOM 0 HB2 LYS A 15 15.154 0.728 -7.549 1.00 3.14 H new ATOM 0 HB3 LYS A 15 14.651 -0.329 -6.245 1.00 3.14 H new ATOM 0 HG2 LYS A 15 13.078 -1.504 -7.780 1.00 51.34 H new ATOM 0 HG3 LYS A 15 13.528 -0.425 -9.086 1.00 51.34 H new ATOM 0 HD2 LYS A 15 15.854 -1.280 -9.047 1.00 62.04 H new ATOM 0 HD3 LYS A 15 15.493 -2.282 -7.655 1.00 62.04 H new ATOM 0 HE2 LYS A 15 15.497 -3.612 -9.751 1.00 73.22 H new ATOM 0 HE3 LYS A 15 13.925 -3.647 -8.977 1.00 73.22 H new ATOM 0 HZ1 LYS A 15 12.979 -2.693 -10.729 1.00 53.43 H new ATOM 0 HZ2 LYS A 15 14.164 -1.481 -10.843 1.00 53.43 H new ATOM 0 HZ3 LYS A 15 14.423 -2.993 -11.571 1.00 53.43 H new ATOM 242 N GLY A 16 11.932 1.648 -8.858 1.00 3.43 N ATOM 243 CA GLY A 16 11.506 2.429 -10.035 1.00 4.24 C ATOM 244 C GLY A 16 10.494 3.537 -9.717 1.00 75.12 C ATOM 245 O GLY A 16 10.215 4.387 -10.557 1.00 3.41 O ATOM 0 H GLY A 16 11.477 0.739 -8.777 1.00 3.43 H new ATOM 0 HA2 GLY A 16 12.385 2.877 -10.499 1.00 4.24 H new ATOM 0 HA3 GLY A 16 11.069 1.752 -10.769 1.00 4.24 H new ATOM 249 N MET A 17 9.965 3.539 -8.488 1.00 62.02 N ATOM 250 CA MET A 17 8.863 4.439 -8.096 1.00 31.33 C ATOM 251 C MET A 17 9.379 5.864 -7.752 1.00 13.23 C ATOM 252 O MET A 17 8.695 6.860 -8.018 1.00 51.20 O ATOM 253 CB MET A 17 8.136 3.807 -6.879 1.00 1.42 C ATOM 254 CG MET A 17 6.901 4.568 -6.388 1.00 61.10 C ATOM 255 SD MET A 17 6.273 3.963 -4.807 1.00 32.03 S ATOM 256 CE MET A 17 5.889 2.271 -5.212 1.00 5.43 C ATOM 0 H MET A 17 10.282 2.924 -7.739 1.00 62.02 H new ATOM 0 HA MET A 17 8.173 4.552 -8.932 1.00 31.33 H new ATOM 0 HB2 MET A 17 7.837 2.792 -7.142 1.00 1.42 H new ATOM 0 HB3 MET A 17 8.845 3.727 -6.055 1.00 1.42 H new ATOM 0 HG2 MET A 17 7.148 5.625 -6.293 1.00 61.10 H new ATOM 0 HG3 MET A 17 6.113 4.491 -7.138 1.00 61.10 H new ATOM 0 HE1 MET A 17 5.361 1.808 -4.378 1.00 5.43 H new ATOM 0 HE2 MET A 17 5.259 2.244 -6.101 1.00 5.43 H new ATOM 0 HE3 MET A 17 6.812 1.725 -5.405 1.00 5.43 H new ATOM 266 N LYS A 18 10.609 5.945 -7.209 1.00 53.43 N ATOM 267 CA LYS A 18 11.193 7.213 -6.712 1.00 41.30 C ATOM 268 C LYS A 18 11.512 8.202 -7.863 1.00 13.41 C ATOM 269 O LYS A 18 12.250 7.870 -8.800 1.00 62.32 O ATOM 270 CB LYS A 18 12.461 6.915 -5.862 1.00 64.05 C ATOM 271 CG LYS A 18 12.967 8.123 -5.036 1.00 4.20 C ATOM 272 CD LYS A 18 14.157 7.768 -4.114 1.00 34.11 C ATOM 273 CE LYS A 18 14.554 8.934 -3.193 1.00 44.04 C ATOM 274 NZ LYS A 18 13.445 9.345 -2.290 1.00 64.45 N ATOM 0 H LYS A 18 11.226 5.140 -7.101 1.00 53.43 H new ATOM 0 HA LYS A 18 10.449 7.699 -6.081 1.00 41.30 H new ATOM 0 HB2 LYS A 18 12.245 6.090 -5.184 1.00 64.05 H new ATOM 0 HB3 LYS A 18 13.260 6.582 -6.525 1.00 64.05 H new ATOM 0 HG2 LYS A 18 13.266 8.921 -5.715 1.00 4.20 H new ATOM 0 HG3 LYS A 18 12.148 8.511 -4.430 1.00 4.20 H new ATOM 0 HD2 LYS A 18 13.896 6.901 -3.506 1.00 34.11 H new ATOM 0 HD3 LYS A 18 15.014 7.483 -4.725 1.00 34.11 H new ATOM 0 HE2 LYS A 18 15.418 8.643 -2.595 1.00 44.04 H new ATOM 0 HE3 LYS A 18 14.859 9.786 -3.801 1.00 44.04 H new ATOM 0 HZ1 LYS A 18 13.816 9.972 -1.548 1.00 64.45 H new ATOM 0 HZ2 LYS A 18 12.720 9.850 -2.838 1.00 64.45 H new ATOM 0 HZ3 LYS A 18 13.023 8.501 -1.852 1.00 64.45 H new ATOM 288 N GLY A 19 10.915 9.404 -7.782 1.00 44.01 N ATOM 289 CA GLY A 19 11.139 10.478 -8.766 1.00 64.45 C ATOM 290 C GLY A 19 10.185 10.436 -9.971 1.00 71.12 C ATOM 291 O GLY A 19 10.173 11.369 -10.783 1.00 4.15 O ATOM 0 H GLY A 19 10.267 9.658 -7.037 1.00 44.01 H new ATOM 0 HA2 GLY A 19 11.034 11.441 -8.267 1.00 64.45 H new ATOM 0 HA3 GLY A 19 12.166 10.417 -9.127 1.00 64.45 H new ATOM 295 N ALA A 20 9.392 9.356 -10.088 1.00 23.24 N ATOM 296 CA ALA A 20 8.444 9.163 -11.213 1.00 33.45 C ATOM 297 C ALA A 20 7.209 10.093 -11.102 1.00 10.34 C ATOM 298 O ALA A 20 6.782 10.442 -9.995 1.00 52.23 O ATOM 299 CB ALA A 20 8.006 7.691 -11.271 1.00 23.22 C ATOM 0 H ALA A 20 9.386 8.593 -9.412 1.00 23.24 H new ATOM 0 HA ALA A 20 8.960 9.428 -12.136 1.00 33.45 H new ATOM 0 HB1 ALA A 20 7.310 7.551 -12.098 1.00 23.22 H new ATOM 0 HB2 ALA A 20 8.880 7.057 -11.421 1.00 23.22 H new ATOM 0 HB3 ALA A 20 7.517 7.420 -10.335 1.00 23.22 H new ATOM 305 N GLU A 21 6.639 10.483 -12.262 1.00 14.13 N ATOM 306 CA GLU A 21 5.434 11.340 -12.310 1.00 73.55 C ATOM 307 C GLU A 21 4.160 10.466 -12.259 1.00 3.51 C ATOM 308 O GLU A 21 3.785 9.835 -13.256 1.00 14.24 O ATOM 309 CB GLU A 21 5.432 12.235 -13.583 1.00 31.02 C ATOM 310 CG GLU A 21 4.271 13.262 -13.648 1.00 43.11 C ATOM 311 CD GLU A 21 4.301 14.124 -14.925 1.00 2.23 C ATOM 312 OE1 GLU A 21 5.127 15.062 -14.999 1.00 14.44 O ATOM 313 OE2 GLU A 21 3.529 13.848 -15.869 1.00 4.42 O ATOM 0 H GLU A 21 6.995 10.217 -13.180 1.00 14.13 H new ATOM 0 HA GLU A 21 5.447 11.998 -11.441 1.00 73.55 H new ATOM 0 HB2 GLU A 21 6.379 12.773 -13.635 1.00 31.02 H new ATOM 0 HB3 GLU A 21 5.382 11.593 -14.463 1.00 31.02 H new ATOM 0 HG2 GLU A 21 3.320 12.731 -13.597 1.00 43.11 H new ATOM 0 HG3 GLU A 21 4.320 13.913 -12.775 1.00 43.11 H new ATOM 320 N ALA A 22 3.533 10.404 -11.075 1.00 62.02 N ATOM 321 CA ALA A 22 2.279 9.669 -10.856 1.00 54.32 C ATOM 322 C ALA A 22 1.049 10.542 -11.190 1.00 73.12 C ATOM 323 O ALA A 22 1.122 11.766 -11.195 1.00 45.10 O ATOM 324 CB ALA A 22 2.213 9.168 -9.405 1.00 23.53 C ATOM 0 H ALA A 22 3.885 10.866 -10.236 1.00 62.02 H new ATOM 0 HA ALA A 22 2.263 8.811 -11.528 1.00 54.32 H new ATOM 0 HB1 ALA A 22 1.281 8.624 -9.250 1.00 23.53 H new ATOM 0 HB2 ALA A 22 3.056 8.506 -9.210 1.00 23.53 H new ATOM 0 HB3 ALA A 22 2.255 10.018 -8.724 1.00 23.53 H new ATOM 330 N THR A 23 -0.071 9.883 -11.490 1.00 73.15 N ATOM 331 CA THR A 23 -1.374 10.536 -11.705 1.00 2.42 C ATOM 332 C THR A 23 -2.434 9.793 -10.874 1.00 72.41 C ATOM 333 O THR A 23 -2.554 8.577 -10.969 1.00 50.43 O ATOM 334 CB THR A 23 -1.784 10.544 -13.221 1.00 73.13 C ATOM 335 OG1 THR A 23 -0.751 11.155 -14.013 1.00 14.13 O ATOM 336 CG2 THR A 23 -3.108 11.300 -13.457 1.00 50.24 C ATOM 0 H THR A 23 -0.105 8.869 -11.593 1.00 73.15 H new ATOM 0 HA THR A 23 -1.300 11.577 -11.390 1.00 2.42 H new ATOM 0 HB THR A 23 -1.922 9.505 -13.520 1.00 73.13 H new ATOM 0 HG1 THR A 23 -0.940 11.012 -14.964 1.00 14.13 H new ATOM 0 HG21 THR A 23 -3.354 11.281 -14.519 1.00 50.24 H new ATOM 0 HG22 THR A 23 -3.907 10.821 -12.891 1.00 50.24 H new ATOM 0 HG23 THR A 23 -3.000 12.334 -13.128 1.00 50.24 H new ATOM 344 N VAL A 24 -3.190 10.530 -10.062 1.00 70.22 N ATOM 345 CA VAL A 24 -4.148 9.951 -9.106 1.00 11.24 C ATOM 346 C VAL A 24 -5.383 9.366 -9.841 1.00 3.24 C ATOM 347 O VAL A 24 -6.137 10.098 -10.481 1.00 73.14 O ATOM 348 CB VAL A 24 -4.586 11.034 -8.049 1.00 21.52 C ATOM 349 CG1 VAL A 24 -5.601 10.471 -7.024 1.00 3.23 C ATOM 350 CG2 VAL A 24 -3.347 11.643 -7.334 1.00 54.14 C ATOM 0 H VAL A 24 -3.159 11.549 -10.044 1.00 70.22 H new ATOM 0 HA VAL A 24 -3.656 9.133 -8.580 1.00 11.24 H new ATOM 0 HB VAL A 24 -5.093 11.831 -8.594 1.00 21.52 H new ATOM 0 HG11 VAL A 24 -5.874 11.253 -6.315 1.00 3.23 H new ATOM 0 HG12 VAL A 24 -6.493 10.127 -7.547 1.00 3.23 H new ATOM 0 HG13 VAL A 24 -5.151 9.636 -6.487 1.00 3.23 H new ATOM 0 HG21 VAL A 24 -3.675 12.388 -6.609 1.00 54.14 H new ATOM 0 HG22 VAL A 24 -2.799 10.853 -6.820 1.00 54.14 H new ATOM 0 HG23 VAL A 24 -2.697 12.115 -8.071 1.00 54.14 H new ATOM 360 N THR A 25 -5.549 8.035 -9.783 1.00 51.11 N ATOM 361 CA THR A 25 -6.752 7.346 -10.306 1.00 74.34 C ATOM 362 C THR A 25 -7.835 7.232 -9.204 1.00 1.13 C ATOM 363 O THR A 25 -9.013 7.050 -9.510 1.00 2.41 O ATOM 364 CB THR A 25 -6.424 5.907 -10.840 1.00 14.34 C ATOM 365 OG1 THR A 25 -5.981 5.064 -9.770 1.00 25.41 O ATOM 366 CG2 THR A 25 -5.346 5.923 -11.931 1.00 50.52 C ATOM 0 H THR A 25 -4.860 7.404 -9.375 1.00 51.11 H new ATOM 0 HA THR A 25 -7.121 7.948 -11.136 1.00 74.34 H new ATOM 0 HB THR A 25 -7.346 5.518 -11.272 1.00 14.34 H new ATOM 0 HG1 THR A 25 -5.666 5.618 -9.026 1.00 25.41 H new ATOM 0 HG21 THR A 25 -5.154 4.904 -12.268 1.00 50.52 H new ATOM 0 HG22 THR A 25 -5.689 6.525 -12.772 1.00 50.52 H new ATOM 0 HG23 THR A 25 -4.428 6.351 -11.529 1.00 50.52 H new ATOM 374 N GLY A 26 -7.415 7.334 -7.921 1.00 54.13 N ATOM 375 CA GLY A 26 -8.333 7.255 -6.775 1.00 22.11 C ATOM 376 C GLY A 26 -7.752 7.900 -5.507 1.00 54.30 C ATOM 377 O GLY A 26 -6.553 7.790 -5.246 1.00 52.12 O ATOM 0 H GLY A 26 -6.439 7.472 -7.659 1.00 54.13 H new ATOM 0 HA2 GLY A 26 -9.271 7.747 -7.031 1.00 22.11 H new ATOM 0 HA3 GLY A 26 -8.566 6.210 -6.572 1.00 22.11 H new ATOM 381 N ALA A 27 -8.611 8.572 -4.721 1.00 20.33 N ATOM 382 CA ALA A 27 -8.219 9.235 -3.453 1.00 51.42 C ATOM 383 C ALA A 27 -9.167 8.798 -2.310 1.00 24.53 C ATOM 384 O ALA A 27 -10.331 9.196 -2.273 1.00 5.13 O ATOM 385 CB ALA A 27 -8.229 10.766 -3.634 1.00 42.00 C ATOM 0 H ALA A 27 -9.601 8.674 -4.943 1.00 20.33 H new ATOM 0 HA ALA A 27 -7.207 8.933 -3.185 1.00 51.42 H new ATOM 0 HB1 ALA A 27 -7.940 11.245 -2.698 1.00 42.00 H new ATOM 0 HB2 ALA A 27 -7.524 11.044 -4.417 1.00 42.00 H new ATOM 0 HB3 ALA A 27 -9.230 11.093 -3.915 1.00 42.00 H new ATOM 391 N TYR A 28 -8.655 7.964 -1.395 1.00 75.44 N ATOM 392 CA TYR A 28 -9.446 7.360 -0.294 1.00 32.30 C ATOM 393 C TYR A 28 -9.005 7.932 1.072 1.00 31.43 C ATOM 394 O TYR A 28 -7.818 8.001 1.359 1.00 63.41 O ATOM 395 CB TYR A 28 -9.252 5.820 -0.295 1.00 43.12 C ATOM 396 CG TYR A 28 -9.628 5.112 -1.618 1.00 72.54 C ATOM 397 CD1 TYR A 28 -8.773 5.154 -2.730 1.00 25.31 C ATOM 398 CD2 TYR A 28 -10.810 4.380 -1.745 1.00 73.32 C ATOM 399 CE1 TYR A 28 -9.096 4.505 -3.909 1.00 32.12 C ATOM 400 CE2 TYR A 28 -11.132 3.731 -2.922 1.00 23.44 C ATOM 401 CZ TYR A 28 -10.270 3.790 -3.996 1.00 54.55 C ATOM 402 OH TYR A 28 -10.594 3.142 -5.172 1.00 75.03 O ATOM 0 H TYR A 28 -7.675 7.682 -1.391 1.00 75.44 H new ATOM 0 HA TYR A 28 -10.498 7.600 -0.452 1.00 32.30 H new ATOM 0 HB2 TYR A 28 -8.209 5.601 -0.067 1.00 43.12 H new ATOM 0 HB3 TYR A 28 -9.850 5.393 0.510 1.00 43.12 H new ATOM 0 HD1 TYR A 28 -7.845 5.703 -2.665 1.00 25.31 H new ATOM 0 HD2 TYR A 28 -11.487 4.320 -0.906 1.00 73.32 H new ATOM 0 HE1 TYR A 28 -8.430 4.559 -4.758 1.00 32.12 H new ATOM 0 HE2 TYR A 28 -12.057 3.179 -3.000 1.00 23.44 H new ATOM 0 HH TYR A 28 -11.454 2.683 -5.067 1.00 75.03 H new ATOM 412 N ASP A 29 -9.970 8.328 1.907 1.00 44.12 N ATOM 413 CA ASP A 29 -9.711 8.777 3.298 1.00 52.32 C ATOM 414 C ASP A 29 -10.171 7.684 4.303 1.00 51.01 C ATOM 415 O ASP A 29 -11.292 7.712 4.829 1.00 33.23 O ATOM 416 CB ASP A 29 -10.375 10.171 3.553 1.00 31.31 C ATOM 417 CG ASP A 29 -11.826 10.272 3.036 1.00 33.42 C ATOM 418 OD1 ASP A 29 -12.015 10.484 1.816 1.00 25.43 O ATOM 419 OD2 ASP A 29 -12.781 10.131 3.834 1.00 11.31 O ATOM 0 H ASP A 29 -10.956 8.350 1.648 1.00 44.12 H new ATOM 0 HA ASP A 29 -8.641 8.914 3.451 1.00 52.32 H new ATOM 0 HB2 ASP A 29 -10.365 10.378 4.623 1.00 31.31 H new ATOM 0 HB3 ASP A 29 -9.773 10.943 3.073 1.00 31.31 H new ATOM 424 N THR A 30 -9.294 6.684 4.521 1.00 40.21 N ATOM 425 CA THR A 30 -9.585 5.496 5.375 1.00 43.23 C ATOM 426 C THR A 30 -8.394 5.176 6.324 1.00 51.32 C ATOM 427 O THR A 30 -7.388 5.886 6.336 1.00 65.13 O ATOM 428 CB THR A 30 -9.935 4.245 4.483 1.00 75.53 C ATOM 429 OG1 THR A 30 -10.291 3.110 5.295 1.00 0.43 O ATOM 430 CG2 THR A 30 -8.782 3.853 3.544 1.00 64.32 C ATOM 0 H THR A 30 -8.359 6.670 4.113 1.00 40.21 H new ATOM 0 HA THR A 30 -10.450 5.734 5.994 1.00 43.23 H new ATOM 0 HB THR A 30 -10.788 4.538 3.872 1.00 75.53 H new ATOM 0 HG1 THR A 30 -10.968 2.575 4.831 1.00 0.43 H new ATOM 0 HG21 THR A 30 -9.074 2.986 2.952 1.00 64.32 H new ATOM 0 HG22 THR A 30 -8.554 4.687 2.880 1.00 64.32 H new ATOM 0 HG23 THR A 30 -7.899 3.608 4.134 1.00 64.32 H new ATOM 438 N THR A 31 -8.527 4.115 7.144 1.00 31.01 N ATOM 439 CA THR A 31 -7.426 3.630 8.021 1.00 72.11 C ATOM 440 C THR A 31 -6.479 2.693 7.230 1.00 40.31 C ATOM 441 O THR A 31 -6.933 1.737 6.602 1.00 0.15 O ATOM 442 CB THR A 31 -7.975 2.867 9.287 1.00 74.45 C ATOM 443 OG1 THR A 31 -8.913 3.696 9.992 1.00 13.25 O ATOM 444 CG2 THR A 31 -6.853 2.465 10.270 1.00 71.45 C ATOM 0 H THR A 31 -9.386 3.571 7.222 1.00 31.01 H new ATOM 0 HA THR A 31 -6.878 4.508 8.362 1.00 72.11 H new ATOM 0 HB THR A 31 -8.453 1.959 8.919 1.00 74.45 H new ATOM 0 HG1 THR A 31 -8.519 4.581 10.142 1.00 13.25 H new ATOM 0 HG21 THR A 31 -7.286 1.943 11.123 1.00 71.45 H new ATOM 0 HG22 THR A 31 -6.145 1.809 9.765 1.00 71.45 H new ATOM 0 HG23 THR A 31 -6.335 3.359 10.617 1.00 71.45 H new ATOM 452 N ALA A 32 -5.167 2.979 7.281 1.00 10.34 N ATOM 453 CA ALA A 32 -4.116 2.157 6.654 1.00 10.34 C ATOM 454 C ALA A 32 -3.232 1.512 7.745 1.00 74.14 C ATOM 455 O ALA A 32 -2.902 2.145 8.754 1.00 1.11 O ATOM 456 CB ALA A 32 -3.275 3.007 5.699 1.00 61.34 C ATOM 0 H ALA A 32 -4.801 3.799 7.765 1.00 10.34 H new ATOM 0 HA ALA A 32 -4.583 1.361 6.074 1.00 10.34 H new ATOM 0 HB1 ALA A 32 -2.503 2.387 5.244 1.00 61.34 H new ATOM 0 HB2 ALA A 32 -3.915 3.420 4.920 1.00 61.34 H new ATOM 0 HB3 ALA A 32 -2.807 3.821 6.253 1.00 61.34 H new ATOM 462 N TYR A 33 -2.851 0.246 7.529 1.00 53.21 N ATOM 463 CA TYR A 33 -2.112 -0.565 8.518 1.00 2.23 C ATOM 464 C TYR A 33 -0.682 -0.907 8.054 1.00 22.12 C ATOM 465 O TYR A 33 -0.376 -0.965 6.857 1.00 74.32 O ATOM 466 CB TYR A 33 -2.900 -1.869 8.829 1.00 31.23 C ATOM 467 CG TYR A 33 -4.220 -1.612 9.568 1.00 63.14 C ATOM 468 CD1 TYR A 33 -4.238 -1.472 10.954 1.00 41.31 C ATOM 469 CD2 TYR A 33 -5.435 -1.482 8.886 1.00 62.24 C ATOM 470 CE1 TYR A 33 -5.404 -1.212 11.632 1.00 44.15 C ATOM 471 CE2 TYR A 33 -6.608 -1.229 9.569 1.00 14.35 C ATOM 472 CZ TYR A 33 -6.583 -1.095 10.944 1.00 74.32 C ATOM 473 OH TYR A 33 -7.740 -0.820 11.635 1.00 62.14 O ATOM 0 H TYR A 33 -3.046 -0.251 6.660 1.00 53.21 H new ATOM 0 HA TYR A 33 -2.019 0.036 9.423 1.00 2.23 H new ATOM 0 HB2 TYR A 33 -3.109 -2.392 7.896 1.00 31.23 H new ATOM 0 HB3 TYR A 33 -2.276 -2.529 9.431 1.00 31.23 H new ATOM 0 HD1 TYR A 33 -3.316 -1.570 11.507 1.00 41.31 H new ATOM 0 HD2 TYR A 33 -5.455 -1.581 7.811 1.00 62.24 H new ATOM 0 HE1 TYR A 33 -5.391 -1.100 12.706 1.00 44.15 H new ATOM 0 HE2 TYR A 33 -7.540 -1.136 9.031 1.00 14.35 H new ATOM 0 HH TYR A 33 -8.514 -1.003 11.063 1.00 62.14 H new ATOM 483 N VAL A 34 0.184 -1.101 9.054 1.00 21.44 N ATOM 484 CA VAL A 34 1.541 -1.645 8.884 1.00 24.40 C ATOM 485 C VAL A 34 1.503 -3.139 9.280 1.00 24.13 C ATOM 486 O VAL A 34 1.273 -3.456 10.449 1.00 3.43 O ATOM 487 CB VAL A 34 2.568 -0.856 9.790 1.00 30.45 C ATOM 488 CG1 VAL A 34 4.011 -1.379 9.609 1.00 4.35 C ATOM 489 CG2 VAL A 34 2.491 0.667 9.513 1.00 42.34 C ATOM 0 H VAL A 34 -0.040 -0.881 10.024 1.00 21.44 H new ATOM 0 HA VAL A 34 1.866 -1.538 7.849 1.00 24.40 H new ATOM 0 HB VAL A 34 2.288 -1.029 10.829 1.00 30.45 H new ATOM 0 HG11 VAL A 34 4.687 -0.811 10.249 1.00 4.35 H new ATOM 0 HG12 VAL A 34 4.053 -2.433 9.882 1.00 4.35 H new ATOM 0 HG13 VAL A 34 4.313 -1.262 8.568 1.00 4.35 H new ATOM 0 HG21 VAL A 34 3.207 1.189 10.148 1.00 42.34 H new ATOM 0 HG22 VAL A 34 2.727 0.859 8.466 1.00 42.34 H new ATOM 0 HG23 VAL A 34 1.485 1.026 9.729 1.00 42.34 H new ATOM 499 N VAL A 35 1.672 -4.058 8.304 1.00 64.33 N ATOM 500 CA VAL A 35 1.586 -5.527 8.562 1.00 20.41 C ATOM 501 C VAL A 35 2.949 -6.237 8.392 1.00 13.42 C ATOM 502 O VAL A 35 3.803 -5.808 7.616 1.00 75.20 O ATOM 503 CB VAL A 35 0.509 -6.227 7.642 1.00 70.13 C ATOM 504 CG1 VAL A 35 -0.922 -5.770 8.019 1.00 64.24 C ATOM 505 CG2 VAL A 35 0.795 -5.984 6.134 1.00 64.15 C ATOM 0 H VAL A 35 1.868 -3.818 7.332 1.00 64.33 H new ATOM 0 HA VAL A 35 1.276 -5.625 9.603 1.00 20.41 H new ATOM 0 HB VAL A 35 0.579 -7.301 7.816 1.00 70.13 H new ATOM 0 HG11 VAL A 35 -1.645 -6.266 7.371 1.00 64.24 H new ATOM 0 HG12 VAL A 35 -1.126 -6.032 9.057 1.00 64.24 H new ATOM 0 HG13 VAL A 35 -1.004 -4.690 7.894 1.00 64.24 H new ATOM 0 HG21 VAL A 35 0.033 -6.481 5.534 1.00 64.15 H new ATOM 0 HG22 VAL A 35 0.778 -4.914 5.928 1.00 64.15 H new ATOM 0 HG23 VAL A 35 1.776 -6.386 5.880 1.00 64.15 H new ATOM 515 N SER A 36 3.130 -7.333 9.142 1.00 72.24 N ATOM 516 CA SER A 36 4.308 -8.223 9.047 1.00 23.12 C ATOM 517 C SER A 36 3.837 -9.660 8.718 1.00 11.24 C ATOM 518 O SER A 36 2.995 -10.222 9.423 1.00 1.31 O ATOM 519 CB SER A 36 5.102 -8.193 10.378 1.00 41.41 C ATOM 520 OG SER A 36 4.280 -8.537 11.488 1.00 23.14 O ATOM 0 H SER A 36 2.455 -7.635 9.844 1.00 72.24 H new ATOM 0 HA SER A 36 4.968 -7.878 8.251 1.00 23.12 H new ATOM 0 HB2 SER A 36 5.941 -8.886 10.317 1.00 41.41 H new ATOM 0 HB3 SER A 36 5.521 -7.198 10.530 1.00 41.41 H new ATOM 0 HG SER A 36 3.534 -9.094 11.182 1.00 23.14 H new ATOM 526 N TYR A 37 4.385 -10.243 7.643 1.00 1.42 N ATOM 527 CA TYR A 37 3.962 -11.562 7.123 1.00 22.40 C ATOM 528 C TYR A 37 5.113 -12.269 6.394 1.00 31.44 C ATOM 529 O TYR A 37 6.060 -11.632 5.939 1.00 10.13 O ATOM 530 CB TYR A 37 2.737 -11.426 6.162 1.00 50.54 C ATOM 531 CG TYR A 37 2.978 -10.636 4.852 1.00 34.11 C ATOM 532 CD1 TYR A 37 2.817 -9.249 4.803 1.00 22.34 C ATOM 533 CD2 TYR A 37 3.357 -11.283 3.664 1.00 52.13 C ATOM 534 CE1 TYR A 37 3.022 -8.544 3.630 1.00 31.12 C ATOM 535 CE2 TYR A 37 3.564 -10.576 2.492 1.00 74.55 C ATOM 536 CZ TYR A 37 3.396 -9.207 2.481 1.00 1.55 C ATOM 537 OH TYR A 37 3.602 -8.496 1.313 1.00 42.41 O ATOM 0 H TYR A 37 5.138 -9.816 7.103 1.00 1.42 H new ATOM 0 HA TYR A 37 3.669 -12.165 7.982 1.00 22.40 H new ATOM 0 HB2 TYR A 37 2.395 -12.427 5.900 1.00 50.54 H new ATOM 0 HB3 TYR A 37 1.926 -10.944 6.708 1.00 50.54 H new ATOM 0 HD1 TYR A 37 2.527 -8.717 5.697 1.00 22.34 H new ATOM 0 HD2 TYR A 37 3.490 -12.355 3.665 1.00 52.13 H new ATOM 0 HE1 TYR A 37 2.889 -7.472 3.615 1.00 31.12 H new ATOM 0 HE2 TYR A 37 3.856 -11.094 1.590 1.00 74.55 H new ATOM 0 HH TYR A 37 2.772 -8.473 0.793 1.00 42.41 H new ATOM 547 N THR A 38 4.999 -13.591 6.271 1.00 14.55 N ATOM 548 CA THR A 38 5.886 -14.396 5.417 1.00 11.12 C ATOM 549 C THR A 38 5.087 -14.801 4.159 1.00 74.53 C ATOM 550 O THR A 38 4.058 -15.480 4.291 1.00 73.13 O ATOM 551 CB THR A 38 6.421 -15.674 6.148 1.00 32.10 C ATOM 552 OG1 THR A 38 7.149 -15.286 7.326 1.00 24.33 O ATOM 553 CG2 THR A 38 7.341 -16.524 5.243 1.00 43.45 C ATOM 0 H THR A 38 4.290 -14.139 6.759 1.00 14.55 H new ATOM 0 HA THR A 38 6.760 -13.800 5.156 1.00 11.12 H new ATOM 0 HB THR A 38 5.557 -16.283 6.413 1.00 32.10 H new ATOM 0 HG1 THR A 38 7.482 -16.086 7.783 1.00 24.33 H new ATOM 0 HG21 THR A 38 7.686 -17.399 5.794 1.00 43.45 H new ATOM 0 HG22 THR A 38 6.787 -16.846 4.361 1.00 43.45 H new ATOM 0 HG23 THR A 38 8.199 -15.927 4.934 1.00 43.45 H new ATOM 561 N PRO A 39 5.501 -14.351 2.925 1.00 53.44 N ATOM 562 CA PRO A 39 4.849 -14.791 1.665 1.00 44.43 C ATOM 563 C PRO A 39 4.931 -16.335 1.509 1.00 70.23 C ATOM 564 O PRO A 39 6.000 -16.928 1.707 1.00 74.13 O ATOM 565 CB PRO A 39 5.645 -14.039 0.556 1.00 1.41 C ATOM 566 CG PRO A 39 6.939 -13.650 1.206 1.00 51.21 C ATOM 567 CD PRO A 39 6.610 -13.399 2.661 1.00 23.13 C ATOM 0 HA PRO A 39 3.784 -14.563 1.626 1.00 44.43 H new ATOM 0 HB2 PRO A 39 5.815 -14.678 -0.311 1.00 1.41 H new ATOM 0 HB3 PRO A 39 5.101 -13.163 0.204 1.00 1.41 H new ATOM 0 HG2 PRO A 39 7.681 -14.442 1.104 1.00 51.21 H new ATOM 0 HG3 PRO A 39 7.358 -12.758 0.740 1.00 51.21 H new ATOM 0 HD2 PRO A 39 7.467 -13.590 3.307 1.00 23.13 H new ATOM 0 HD3 PRO A 39 6.305 -12.367 2.833 1.00 23.13 H new ATOM 575 N THR A 40 3.796 -16.972 1.153 1.00 34.21 N ATOM 576 CA THR A 40 3.668 -18.455 1.102 1.00 21.11 C ATOM 577 C THR A 40 4.503 -19.102 -0.044 1.00 3.24 C ATOM 578 O THR A 40 4.455 -20.322 -0.241 1.00 15.25 O ATOM 579 CB THR A 40 2.168 -18.894 0.983 1.00 61.05 C ATOM 580 OG1 THR A 40 1.622 -18.446 -0.266 1.00 44.00 O ATOM 581 CG2 THR A 40 1.312 -18.349 2.148 1.00 33.53 C ATOM 0 H THR A 40 2.941 -16.480 0.892 1.00 34.21 H new ATOM 0 HA THR A 40 4.075 -18.820 2.045 1.00 21.11 H new ATOM 0 HB THR A 40 2.142 -19.983 1.030 1.00 61.05 H new ATOM 0 HG1 THR A 40 0.685 -18.726 -0.333 1.00 44.00 H new ATOM 0 HG21 THR A 40 0.280 -18.677 2.026 1.00 33.53 H new ATOM 0 HG22 THR A 40 1.703 -18.725 3.094 1.00 33.53 H new ATOM 0 HG23 THR A 40 1.349 -17.260 2.148 1.00 33.53 H new ATOM 589 N ASN A 41 5.253 -18.266 -0.800 1.00 21.50 N ATOM 590 CA ASN A 41 6.329 -18.726 -1.717 1.00 65.13 C ATOM 591 C ASN A 41 7.487 -19.430 -0.929 1.00 61.41 C ATOM 592 O ASN A 41 8.262 -20.207 -1.498 1.00 33.35 O ATOM 593 CB ASN A 41 6.865 -17.492 -2.498 1.00 63.50 C ATOM 594 CG ASN A 41 7.810 -17.845 -3.651 1.00 31.00 C ATOM 595 OD1 ASN A 41 7.384 -18.026 -4.783 1.00 21.34 O ATOM 596 ND2 ASN A 41 9.098 -17.943 -3.381 1.00 2.30 N ATOM 0 H ASN A 41 5.131 -17.253 -0.793 1.00 21.50 H new ATOM 0 HA ASN A 41 5.924 -19.462 -2.412 1.00 65.13 H new ATOM 0 HB2 ASN A 41 6.019 -16.931 -2.894 1.00 63.50 H new ATOM 0 HB3 ASN A 41 7.387 -16.834 -1.803 1.00 63.50 H new ATOM 0 HD21 ASN A 41 9.759 -18.173 -4.123 1.00 2.30 H new ATOM 0 HD22 ASN A 41 9.433 -17.788 -2.430 1.00 2.30 H new ATOM 603 N GLY A 42 7.575 -19.132 0.386 1.00 12.14 N ATOM 604 CA GLY A 42 8.473 -19.835 1.323 1.00 22.24 C ATOM 605 C GLY A 42 9.867 -19.209 1.482 1.00 64.34 C ATOM 606 O GLY A 42 10.776 -19.860 2.014 1.00 13.41 O ATOM 0 H GLY A 42 7.023 -18.396 0.826 1.00 12.14 H new ATOM 0 HA2 GLY A 42 7.995 -19.872 2.302 1.00 22.24 H new ATOM 0 HA3 GLY A 42 8.590 -20.865 0.986 1.00 22.24 H new ATOM 610 N GLY A 43 10.044 -17.950 1.028 1.00 20.14 N ATOM 611 CA GLY A 43 11.342 -17.253 1.123 1.00 25.55 C ATOM 612 C GLY A 43 11.423 -16.257 2.287 1.00 0.42 C ATOM 613 O GLY A 43 11.073 -16.594 3.425 1.00 4.04 O ATOM 0 H GLY A 43 9.305 -17.397 0.593 1.00 20.14 H new ATOM 0 HA2 GLY A 43 12.135 -17.993 1.234 1.00 25.55 H new ATOM 0 HA3 GLY A 43 11.529 -16.723 0.189 1.00 25.55 H new ATOM 617 N GLN A 44 11.890 -15.030 1.990 1.00 51.04 N ATOM 618 CA GLN A 44 12.117 -13.968 2.994 1.00 5.01 C ATOM 619 C GLN A 44 10.786 -13.395 3.543 1.00 73.02 C ATOM 620 O GLN A 44 9.903 -13.018 2.771 1.00 5.14 O ATOM 621 CB GLN A 44 12.957 -12.820 2.367 1.00 22.54 C ATOM 622 CG GLN A 44 13.295 -11.663 3.340 1.00 54.45 C ATOM 623 CD GLN A 44 13.950 -10.459 2.659 1.00 53.54 C ATOM 624 OE1 GLN A 44 13.272 -9.547 2.203 1.00 25.44 O ATOM 625 NE2 GLN A 44 15.268 -10.441 2.584 1.00 64.52 N ATOM 0 H GLN A 44 12.123 -14.743 1.039 1.00 51.04 H new ATOM 0 HA GLN A 44 12.658 -14.415 3.828 1.00 5.01 H new ATOM 0 HB2 GLN A 44 13.888 -13.237 1.982 1.00 22.54 H new ATOM 0 HB3 GLN A 44 12.413 -12.413 1.515 1.00 22.54 H new ATOM 0 HG2 GLN A 44 12.380 -11.337 3.834 1.00 54.45 H new ATOM 0 HG3 GLN A 44 13.961 -12.037 4.117 1.00 54.45 H new ATOM 0 HE21 GLN A 44 15.811 -11.212 2.971 1.00 64.52 H new ATOM 0 HE22 GLN A 44 15.743 -9.656 2.139 1.00 64.52 H new ATOM 634 N ARG A 45 10.659 -13.358 4.880 1.00 12.05 N ATOM 635 CA ARG A 45 9.547 -12.679 5.577 1.00 72.30 C ATOM 636 C ARG A 45 9.531 -11.152 5.294 1.00 32.11 C ATOM 637 O ARG A 45 10.512 -10.446 5.567 1.00 34.22 O ATOM 638 CB ARG A 45 9.663 -12.935 7.104 1.00 53.32 C ATOM 639 CG ARG A 45 8.593 -12.227 7.973 1.00 62.32 C ATOM 640 CD ARG A 45 8.751 -12.543 9.471 1.00 43.21 C ATOM 641 NE ARG A 45 8.638 -13.995 9.739 1.00 40.22 N ATOM 642 CZ ARG A 45 9.543 -14.746 10.331 1.00 61.42 C ATOM 643 NH1 ARG A 45 10.675 -14.252 10.734 1.00 61.33 N ATOM 644 NH2 ARG A 45 9.312 -16.003 10.508 1.00 62.44 N ATOM 0 H ARG A 45 11.326 -13.799 5.513 1.00 12.05 H new ATOM 0 HA ARG A 45 8.611 -13.090 5.199 1.00 72.30 H new ATOM 0 HB2 ARG A 45 9.601 -14.009 7.282 1.00 53.32 H new ATOM 0 HB3 ARG A 45 10.650 -12.613 7.437 1.00 53.32 H new ATOM 0 HG2 ARG A 45 8.661 -11.150 7.823 1.00 62.32 H new ATOM 0 HG3 ARG A 45 7.600 -12.533 7.643 1.00 62.32 H new ATOM 0 HD2 ARG A 45 9.719 -12.183 9.819 1.00 43.21 H new ATOM 0 HD3 ARG A 45 7.989 -12.008 10.038 1.00 43.21 H new ATOM 0 HE ARG A 45 7.780 -14.456 9.437 1.00 40.22 H new ATOM 0 HH11 ARG A 45 10.878 -13.262 10.594 1.00 61.33 H new ATOM 0 HH12 ARG A 45 11.361 -14.854 11.190 1.00 61.33 H new ATOM 0 HH21 ARG A 45 8.432 -16.410 10.190 1.00 62.44 H new ATOM 0 HH22 ARG A 45 10.009 -16.590 10.966 1.00 62.44 H new ATOM 658 N VAL A 46 8.407 -10.663 4.755 1.00 45.05 N ATOM 659 CA VAL A 46 8.187 -9.226 4.499 1.00 53.24 C ATOM 660 C VAL A 46 7.665 -8.527 5.779 1.00 65.50 C ATOM 661 O VAL A 46 6.527 -8.749 6.205 1.00 61.21 O ATOM 662 CB VAL A 46 7.171 -9.009 3.320 1.00 24.43 C ATOM 663 CG1 VAL A 46 6.919 -7.501 3.046 1.00 45.13 C ATOM 664 CG2 VAL A 46 7.651 -9.743 2.043 1.00 70.44 C ATOM 0 H VAL A 46 7.620 -11.251 4.482 1.00 45.05 H new ATOM 0 HA VAL A 46 9.143 -8.786 4.213 1.00 53.24 H new ATOM 0 HB VAL A 46 6.216 -9.440 3.621 1.00 24.43 H new ATOM 0 HG11 VAL A 46 6.211 -7.394 2.224 1.00 45.13 H new ATOM 0 HG12 VAL A 46 6.510 -7.032 3.941 1.00 45.13 H new ATOM 0 HG13 VAL A 46 7.859 -7.017 2.781 1.00 45.13 H new ATOM 0 HG21 VAL A 46 6.934 -9.580 1.238 1.00 70.44 H new ATOM 0 HG22 VAL A 46 8.625 -9.355 1.745 1.00 70.44 H new ATOM 0 HG23 VAL A 46 7.732 -10.811 2.246 1.00 70.44 H new ATOM 674 N ASP A 47 8.500 -7.672 6.376 1.00 51.12 N ATOM 675 CA ASP A 47 8.146 -6.929 7.603 1.00 50.14 C ATOM 676 C ASP A 47 7.760 -5.482 7.248 1.00 2.15 C ATOM 677 O ASP A 47 8.289 -4.911 6.282 1.00 51.01 O ATOM 678 CB ASP A 47 9.319 -6.935 8.619 1.00 73.22 C ATOM 679 CG ASP A 47 10.574 -6.191 8.120 1.00 21.23 C ATOM 680 OD1 ASP A 47 11.197 -6.643 7.133 1.00 53.10 O ATOM 681 OD2 ASP A 47 10.938 -5.151 8.711 1.00 62.52 O ATOM 0 H ASP A 47 9.438 -7.471 6.029 1.00 51.12 H new ATOM 0 HA ASP A 47 7.294 -7.425 8.068 1.00 50.14 H new ATOM 0 HB2 ASP A 47 8.984 -6.479 9.551 1.00 73.22 H new ATOM 0 HB3 ASP A 47 9.586 -7.967 8.847 1.00 73.22 H new ATOM 686 N HIS A 48 6.837 -4.911 8.044 1.00 70.21 N ATOM 687 CA HIS A 48 6.443 -3.484 7.956 1.00 51.35 C ATOM 688 C HIS A 48 5.986 -3.073 6.529 1.00 73.13 C ATOM 689 O HIS A 48 6.282 -1.967 6.061 1.00 2.32 O ATOM 690 CB HIS A 48 7.609 -2.591 8.464 1.00 71.24 C ATOM 691 CG HIS A 48 8.045 -2.916 9.869 1.00 75.03 C ATOM 692 ND1 HIS A 48 9.338 -3.239 10.215 1.00 61.42 N ATOM 693 CD2 HIS A 48 7.333 -2.979 11.014 1.00 65.44 C ATOM 694 CE1 HIS A 48 9.398 -3.486 11.507 1.00 34.44 C ATOM 695 NE2 HIS A 48 8.195 -3.333 12.013 1.00 40.32 N ATOM 0 H HIS A 48 6.339 -5.425 8.771 1.00 70.21 H new ATOM 0 HA HIS A 48 5.574 -3.336 8.597 1.00 51.35 H new ATOM 0 HB2 HIS A 48 8.461 -2.702 7.793 1.00 71.24 H new ATOM 0 HB3 HIS A 48 7.302 -1.546 8.420 1.00 71.24 H new ATOM 0 HD1 HIS A 48 10.127 -3.281 9.570 1.00 61.42 H new ATOM 0 HD2 HIS A 48 6.276 -2.785 11.121 1.00 65.44 H new ATOM 0 HE1 HIS A 48 10.284 -3.766 12.057 1.00 34.44 H new ATOM 704 N HIS A 49 5.252 -3.987 5.868 1.00 62.13 N ATOM 705 CA HIS A 49 4.750 -3.800 4.492 1.00 32.20 C ATOM 706 C HIS A 49 3.814 -2.571 4.400 1.00 51.42 C ATOM 707 O HIS A 49 2.867 -2.433 5.189 1.00 0.44 O ATOM 708 CB HIS A 49 4.017 -5.074 4.016 1.00 54.32 C ATOM 709 CG HIS A 49 3.543 -5.002 2.584 1.00 45.43 C ATOM 710 ND1 HIS A 49 4.360 -5.367 1.544 1.00 71.41 N ATOM 711 CD2 HIS A 49 2.365 -4.557 2.076 1.00 44.15 C ATOM 712 CE1 HIS A 49 3.676 -5.132 0.444 1.00 64.30 C ATOM 713 NE2 HIS A 49 2.464 -4.643 0.716 1.00 50.24 N ATOM 0 H HIS A 49 4.988 -4.884 6.276 1.00 62.13 H new ATOM 0 HA HIS A 49 5.604 -3.618 3.840 1.00 32.20 H new ATOM 0 HB2 HIS A 49 4.684 -5.929 4.126 1.00 54.32 H new ATOM 0 HB3 HIS A 49 3.160 -5.253 4.665 1.00 54.32 H new ATOM 0 HD2 HIS A 49 1.514 -4.203 2.639 1.00 44.15 H new ATOM 0 HE1 HIS A 49 4.049 -5.312 -0.553 1.00 64.30 H new ATOM 0 HE2 HIS A 49 1.748 -4.383 0.038 1.00 50.24 H new ATOM 721 N LYS A 50 4.103 -1.676 3.435 1.00 55.32 N ATOM 722 CA LYS A 50 3.350 -0.427 3.233 1.00 63.11 C ATOM 723 C LYS A 50 2.856 -0.317 1.759 1.00 12.45 C ATOM 724 O LYS A 50 3.631 -0.562 0.838 1.00 65.22 O ATOM 725 CB LYS A 50 4.255 0.791 3.572 1.00 33.21 C ATOM 726 CG LYS A 50 4.784 0.804 5.022 1.00 22.21 C ATOM 727 CD LYS A 50 5.702 2.010 5.315 1.00 71.24 C ATOM 728 CE LYS A 50 6.368 1.924 6.698 1.00 63.33 C ATOM 729 NZ LYS A 50 5.378 1.849 7.807 1.00 64.05 N ATOM 0 H LYS A 50 4.868 -1.801 2.773 1.00 55.32 H new ATOM 0 HA LYS A 50 2.482 -0.433 3.893 1.00 63.11 H new ATOM 0 HB2 LYS A 50 5.103 0.800 2.888 1.00 33.21 H new ATOM 0 HB3 LYS A 50 3.692 1.708 3.394 1.00 33.21 H new ATOM 0 HG2 LYS A 50 3.940 0.820 5.711 1.00 22.21 H new ATOM 0 HG3 LYS A 50 5.333 -0.119 5.212 1.00 22.21 H new ATOM 0 HD2 LYS A 50 6.474 2.069 4.547 1.00 71.24 H new ATOM 0 HD3 LYS A 50 5.119 2.929 5.253 1.00 71.24 H new ATOM 0 HE2 LYS A 50 7.013 1.046 6.732 1.00 63.33 H new ATOM 0 HE3 LYS A 50 7.007 2.795 6.844 1.00 63.33 H new ATOM 0 HZ1 LYS A 50 5.879 1.810 8.718 1.00 64.05 H new ATOM 0 HZ2 LYS A 50 4.767 2.690 7.784 1.00 64.05 H new ATOM 0 HZ3 LYS A 50 4.796 0.995 7.695 1.00 64.05 H new ATOM 743 N TRP A 51 1.571 0.025 1.508 1.00 21.23 N ATOM 744 CA TRP A 51 0.486 0.088 2.526 1.00 13.43 C ATOM 745 C TRP A 51 -0.644 -0.920 2.214 1.00 53.41 C ATOM 746 O TRP A 51 -0.832 -1.353 1.070 1.00 70.45 O ATOM 747 CB TRP A 51 -0.098 1.533 2.629 1.00 64.15 C ATOM 748 CG TRP A 51 0.858 2.550 3.214 1.00 2.23 C ATOM 749 CD1 TRP A 51 1.748 3.350 2.543 1.00 43.03 C ATOM 750 CD2 TRP A 51 1.012 2.865 4.607 1.00 45.34 C ATOM 751 NE1 TRP A 51 2.442 4.130 3.434 1.00 23.33 N ATOM 752 CE2 TRP A 51 2.005 3.851 4.707 1.00 11.22 C ATOM 753 CE3 TRP A 51 0.398 2.401 5.779 1.00 53.41 C ATOM 754 CZ2 TRP A 51 2.397 4.390 5.931 1.00 52.42 C ATOM 755 CZ3 TRP A 51 0.790 2.934 6.994 1.00 13.43 C ATOM 756 CH2 TRP A 51 1.784 3.918 7.062 1.00 60.01 C ATOM 0 H TRP A 51 1.248 0.271 0.572 1.00 21.23 H new ATOM 0 HA TRP A 51 0.927 -0.182 3.486 1.00 13.43 H new ATOM 0 HB2 TRP A 51 -0.398 1.863 1.634 1.00 64.15 H new ATOM 0 HB3 TRP A 51 -1.000 1.505 3.241 1.00 64.15 H new ATOM 0 HD1 TRP A 51 1.883 3.364 1.472 1.00 43.03 H new ATOM 0 HE1 TRP A 51 3.165 4.807 3.191 1.00 23.33 H new ATOM 0 HE3 TRP A 51 -0.368 1.641 5.734 1.00 53.41 H new ATOM 0 HZ2 TRP A 51 3.158 5.154 5.986 1.00 52.42 H new ATOM 0 HZ3 TRP A 51 0.323 2.586 7.903 1.00 13.43 H new ATOM 0 HH2 TRP A 51 2.073 4.313 8.025 1.00 60.01 H new ATOM 767 N VAL A 52 -1.369 -1.287 3.277 1.00 50.22 N ATOM 768 CA VAL A 52 -2.637 -2.051 3.217 1.00 64.54 C ATOM 769 C VAL A 52 -3.728 -1.231 3.940 1.00 45.12 C ATOM 770 O VAL A 52 -3.399 -0.332 4.717 1.00 13.21 O ATOM 771 CB VAL A 52 -2.493 -3.476 3.877 1.00 75.43 C ATOM 772 CG1 VAL A 52 -1.488 -4.370 3.100 1.00 73.12 C ATOM 773 CG2 VAL A 52 -2.114 -3.384 5.377 1.00 4.34 C ATOM 0 H VAL A 52 -1.090 -1.059 4.231 1.00 50.22 H new ATOM 0 HA VAL A 52 -2.908 -2.212 2.174 1.00 64.54 H new ATOM 0 HB VAL A 52 -3.473 -3.950 3.817 1.00 75.43 H new ATOM 0 HG11 VAL A 52 -1.416 -5.343 3.585 1.00 73.12 H new ATOM 0 HG12 VAL A 52 -1.834 -4.500 2.075 1.00 73.12 H new ATOM 0 HG13 VAL A 52 -0.507 -3.894 3.094 1.00 73.12 H new ATOM 0 HG21 VAL A 52 -2.025 -4.388 5.792 1.00 4.34 H new ATOM 0 HG22 VAL A 52 -1.162 -2.863 5.480 1.00 4.34 H new ATOM 0 HG23 VAL A 52 -2.888 -2.836 5.915 1.00 4.34 H new ATOM 783 N ILE A 53 -5.024 -1.502 3.687 1.00 44.53 N ATOM 784 CA ILE A 53 -6.126 -0.711 4.321 1.00 43.15 C ATOM 785 C ILE A 53 -7.158 -1.606 5.043 1.00 23.14 C ATOM 786 O ILE A 53 -7.211 -2.820 4.828 1.00 54.04 O ATOM 787 CB ILE A 53 -6.876 0.230 3.293 1.00 21.02 C ATOM 788 CG1 ILE A 53 -7.638 -0.595 2.202 1.00 0.43 C ATOM 789 CG2 ILE A 53 -5.894 1.240 2.649 1.00 22.21 C ATOM 790 CD1 ILE A 53 -8.480 0.228 1.241 1.00 51.50 C ATOM 0 H ILE A 53 -5.341 -2.244 3.063 1.00 44.53 H new ATOM 0 HA ILE A 53 -5.630 -0.084 5.062 1.00 43.15 H new ATOM 0 HB ILE A 53 -7.623 0.795 3.850 1.00 21.02 H new ATOM 0 HG12 ILE A 53 -6.910 -1.165 1.625 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -8.285 -1.317 2.701 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.434 1.875 1.947 1.00 22.21 H new ATOM 0 HG22 ILE A 53 -5.446 1.858 3.427 1.00 22.21 H new ATOM 0 HG23 ILE A 53 -5.110 0.698 2.120 1.00 22.21 H new ATOM 0 HD11 ILE A 53 -8.967 -0.434 0.525 1.00 51.50 H new ATOM 0 HD12 ILE A 53 -9.237 0.778 1.800 1.00 51.50 H new ATOM 0 HD13 ILE A 53 -7.841 0.932 0.708 1.00 51.50 H new ATOM 802 N GLN A 54 -7.965 -0.956 5.911 1.00 64.43 N ATOM 803 CA GLN A 54 -9.115 -1.557 6.636 1.00 13.22 C ATOM 804 C GLN A 54 -9.996 -2.451 5.719 1.00 42.21 C ATOM 805 O GLN A 54 -10.235 -3.618 6.018 1.00 4.23 O ATOM 806 CB GLN A 54 -9.963 -0.395 7.245 1.00 43.24 C ATOM 807 CG GLN A 54 -11.229 -0.807 8.042 1.00 44.54 C ATOM 808 CD GLN A 54 -10.952 -1.569 9.343 1.00 23.21 C ATOM 809 OE1 GLN A 54 -9.918 -1.409 9.962 1.00 53.41 O ATOM 810 NE2 GLN A 54 -11.897 -2.368 9.792 1.00 53.15 N ATOM 0 H GLN A 54 -7.833 0.030 6.135 1.00 64.43 H new ATOM 0 HA GLN A 54 -8.732 -2.210 7.420 1.00 13.22 H new ATOM 0 HB2 GLN A 54 -9.320 0.188 7.904 1.00 43.24 H new ATOM 0 HB3 GLN A 54 -10.270 0.265 6.434 1.00 43.24 H new ATOM 0 HG2 GLN A 54 -11.800 0.091 8.278 1.00 44.54 H new ATOM 0 HG3 GLN A 54 -11.858 -1.426 7.402 1.00 44.54 H new ATOM 0 HE21 GLN A 54 -12.758 -2.490 9.259 1.00 53.15 H new ATOM 0 HE22 GLN A 54 -11.768 -2.865 10.673 1.00 53.15 H new ATOM 819 N GLU A 55 -10.412 -1.899 4.573 1.00 42.03 N ATOM 820 CA GLU A 55 -11.382 -2.543 3.650 1.00 43.25 C ATOM 821 C GLU A 55 -10.720 -3.584 2.704 1.00 45.23 C ATOM 822 O GLU A 55 -11.416 -4.269 1.947 1.00 70.04 O ATOM 823 CB GLU A 55 -12.074 -1.419 2.843 1.00 31.42 C ATOM 824 CG GLU A 55 -12.894 -0.439 3.720 1.00 22.44 C ATOM 825 CD GLU A 55 -13.118 0.928 3.057 1.00 62.45 C ATOM 826 OE1 GLU A 55 -13.994 1.047 2.170 1.00 13.41 O ATOM 827 OE2 GLU A 55 -12.400 1.887 3.412 1.00 41.32 O ATOM 0 H GLU A 55 -10.089 -0.987 4.249 1.00 42.03 H new ATOM 0 HA GLU A 55 -12.108 -3.107 4.235 1.00 43.25 H new ATOM 0 HB2 GLU A 55 -11.317 -0.857 2.296 1.00 31.42 H new ATOM 0 HB3 GLU A 55 -12.734 -1.869 2.102 1.00 31.42 H new ATOM 0 HG2 GLU A 55 -13.861 -0.888 3.947 1.00 22.44 H new ATOM 0 HG3 GLU A 55 -12.379 -0.294 4.670 1.00 22.44 H new ATOM 834 N GLU A 56 -9.379 -3.681 2.746 1.00 21.40 N ATOM 835 CA GLU A 56 -8.604 -4.712 2.009 1.00 2.10 C ATOM 836 C GLU A 56 -8.461 -5.992 2.870 1.00 31.32 C ATOM 837 O GLU A 56 -8.492 -7.116 2.346 1.00 35.45 O ATOM 838 CB GLU A 56 -7.214 -4.094 1.626 1.00 2.51 C ATOM 839 CG GLU A 56 -6.166 -5.025 0.968 1.00 13.33 C ATOM 840 CD GLU A 56 -5.413 -5.947 1.959 1.00 10.34 C ATOM 841 OE1 GLU A 56 -4.921 -5.440 2.980 1.00 0.55 O ATOM 842 OE2 GLU A 56 -5.344 -7.169 1.728 1.00 34.40 O ATOM 0 H GLU A 56 -8.795 -3.048 3.292 1.00 21.40 H new ATOM 0 HA GLU A 56 -9.120 -5.008 1.096 1.00 2.10 H new ATOM 0 HB2 GLU A 56 -7.394 -3.260 0.948 1.00 2.51 H new ATOM 0 HB3 GLU A 56 -6.771 -3.679 2.531 1.00 2.51 H new ATOM 0 HG2 GLU A 56 -6.666 -5.645 0.223 1.00 13.33 H new ATOM 0 HG3 GLU A 56 -5.438 -4.413 0.436 1.00 13.33 H new ATOM 849 N ILE A 57 -8.364 -5.796 4.196 1.00 63.32 N ATOM 850 CA ILE A 57 -8.124 -6.890 5.164 1.00 61.13 C ATOM 851 C ILE A 57 -9.435 -7.666 5.440 1.00 70.30 C ATOM 852 O ILE A 57 -10.478 -7.067 5.727 1.00 74.41 O ATOM 853 CB ILE A 57 -7.513 -6.332 6.505 1.00 1.34 C ATOM 854 CG1 ILE A 57 -6.135 -5.634 6.218 1.00 24.43 C ATOM 855 CG2 ILE A 57 -7.368 -7.450 7.570 1.00 43.35 C ATOM 856 CD1 ILE A 57 -5.472 -4.974 7.419 1.00 31.45 C ATOM 0 H ILE A 57 -8.449 -4.877 4.631 1.00 63.32 H new ATOM 0 HA ILE A 57 -7.401 -7.579 4.727 1.00 61.13 H new ATOM 0 HB ILE A 57 -8.199 -5.590 6.913 1.00 1.34 H new ATOM 0 HG12 ILE A 57 -5.450 -6.376 5.809 1.00 24.43 H new ATOM 0 HG13 ILE A 57 -6.284 -4.879 5.446 1.00 24.43 H new ATOM 0 HG21 ILE A 57 -6.944 -7.031 8.482 1.00 43.35 H new ATOM 0 HG22 ILE A 57 -8.348 -7.875 7.787 1.00 43.35 H new ATOM 0 HG23 ILE A 57 -6.710 -8.232 7.190 1.00 43.35 H new ATOM 0 HD11 ILE A 57 -4.529 -4.523 7.112 1.00 31.45 H new ATOM 0 HD12 ILE A 57 -6.130 -4.202 7.819 1.00 31.45 H new ATOM 0 HD13 ILE A 57 -5.282 -5.723 8.187 1.00 31.45 H new ATOM 868 N LYS A 58 -9.363 -9.006 5.343 1.00 1.32 N ATOM 869 CA LYS A 58 -10.538 -9.898 5.464 1.00 71.23 C ATOM 870 C LYS A 58 -11.104 -9.936 6.909 1.00 33.24 C ATOM 871 O LYS A 58 -12.321 -10.017 7.114 1.00 70.45 O ATOM 872 CB LYS A 58 -10.143 -11.322 4.985 1.00 34.32 C ATOM 873 CG LYS A 58 -11.328 -12.292 4.786 1.00 43.30 C ATOM 874 CD LYS A 58 -10.920 -13.615 4.088 1.00 53.02 C ATOM 875 CE LYS A 58 -9.937 -14.457 4.912 1.00 20.40 C ATOM 876 NZ LYS A 58 -10.514 -14.867 6.218 1.00 15.23 N ATOM 0 H LYS A 58 -8.489 -9.505 5.178 1.00 1.32 H new ATOM 0 HA LYS A 58 -11.335 -9.503 4.834 1.00 71.23 H new ATOM 0 HB2 LYS A 58 -9.601 -11.236 4.043 1.00 34.32 H new ATOM 0 HB3 LYS A 58 -9.455 -11.756 5.710 1.00 34.32 H new ATOM 0 HG2 LYS A 58 -11.769 -12.521 5.756 1.00 43.30 H new ATOM 0 HG3 LYS A 58 -12.099 -11.798 4.194 1.00 43.30 H new ATOM 0 HD2 LYS A 58 -11.815 -14.204 3.890 1.00 53.02 H new ATOM 0 HD3 LYS A 58 -10.470 -13.385 3.122 1.00 53.02 H new ATOM 0 HE2 LYS A 58 -9.656 -15.345 4.345 1.00 20.40 H new ATOM 0 HE3 LYS A 58 -9.024 -13.886 5.082 1.00 20.40 H new ATOM 0 HZ1 LYS A 58 -9.875 -15.543 6.683 1.00 15.23 H new ATOM 0 HZ2 LYS A 58 -10.633 -14.030 6.823 1.00 15.23 H new ATOM 0 HZ3 LYS A 58 -11.439 -15.316 6.063 1.00 15.23 H new ATOM 890 N ASP A 59 -10.206 -9.857 7.904 1.00 73.10 N ATOM 891 CA ASP A 59 -10.571 -9.906 9.344 1.00 33.00 C ATOM 892 C ASP A 59 -11.162 -8.564 9.867 1.00 2.11 C ATOM 893 O ASP A 59 -11.686 -8.531 10.986 1.00 55.04 O ATOM 894 CB ASP A 59 -9.314 -10.308 10.159 1.00 64.55 C ATOM 895 CG ASP A 59 -9.587 -10.525 11.665 1.00 31.40 C ATOM 896 OD1 ASP A 59 -10.156 -11.576 12.026 1.00 24.34 O ATOM 897 OD2 ASP A 59 -9.273 -9.633 12.486 1.00 45.30 O ATOM 0 H ASP A 59 -9.204 -9.757 7.741 1.00 73.10 H new ATOM 0 HA ASP A 59 -11.360 -10.648 9.469 1.00 33.00 H new ATOM 0 HB2 ASP A 59 -8.899 -11.224 9.739 1.00 64.55 H new ATOM 0 HB3 ASP A 59 -8.556 -9.533 10.045 1.00 64.55 H new ATOM 902 N ALA A 60 -11.099 -7.488 9.031 1.00 51.43 N ATOM 903 CA ALA A 60 -11.476 -6.086 9.404 1.00 11.21 C ATOM 904 C ALA A 60 -12.654 -5.970 10.408 1.00 24.23 C ATOM 905 O ALA A 60 -12.484 -5.393 11.482 1.00 44.51 O ATOM 906 CB ALA A 60 -11.797 -5.286 8.140 1.00 2.44 C ATOM 0 H ALA A 60 -10.781 -7.568 8.065 1.00 51.43 H new ATOM 0 HA ALA A 60 -10.608 -5.677 9.922 1.00 11.21 H new ATOM 0 HB1 ALA A 60 -12.071 -4.267 8.414 1.00 2.44 H new ATOM 0 HB2 ALA A 60 -10.922 -5.264 7.491 1.00 2.44 H new ATOM 0 HB3 ALA A 60 -12.628 -5.756 7.613 1.00 2.44 H new ATOM 912 N GLY A 61 -13.837 -6.502 10.037 1.00 44.14 N ATOM 913 CA GLY A 61 -14.963 -6.663 10.982 1.00 72.11 C ATOM 914 C GLY A 61 -15.564 -5.358 11.515 1.00 22.54 C ATOM 915 O GLY A 61 -16.180 -5.369 12.589 1.00 75.54 O ATOM 0 H GLY A 61 -14.038 -6.827 9.091 1.00 44.14 H new ATOM 0 HA2 GLY A 61 -15.751 -7.231 10.488 1.00 72.11 H new ATOM 0 HA3 GLY A 61 -14.622 -7.259 11.829 1.00 72.11 H new ATOM 919 N ASP A 62 -15.340 -4.238 10.781 1.00 2.44 N ATOM 920 CA ASP A 62 -15.738 -2.856 11.188 1.00 20.12 C ATOM 921 C ASP A 62 -14.904 -2.326 12.412 1.00 52.01 C ATOM 922 O ASP A 62 -15.050 -1.170 12.813 1.00 31.14 O ATOM 923 CB ASP A 62 -17.285 -2.778 11.439 1.00 22.34 C ATOM 924 CG ASP A 62 -17.828 -1.361 11.718 1.00 12.20 C ATOM 925 OD1 ASP A 62 -17.967 -0.575 10.759 1.00 64.44 O ATOM 926 OD2 ASP A 62 -18.121 -1.027 12.891 1.00 34.34 O ATOM 0 H ASP A 62 -14.871 -4.265 9.876 1.00 2.44 H new ATOM 0 HA ASP A 62 -15.502 -2.187 10.360 1.00 20.12 H new ATOM 0 HB2 ASP A 62 -17.800 -3.184 10.568 1.00 22.34 H new ATOM 0 HB3 ASP A 62 -17.534 -3.419 12.284 1.00 22.34 H new ATOM 931 N LYS A 63 -14.002 -3.166 12.977 1.00 74.35 N ATOM 932 CA LYS A 63 -13.185 -2.803 14.167 1.00 64.02 C ATOM 933 C LYS A 63 -11.794 -2.276 13.745 1.00 54.22 C ATOM 934 O LYS A 63 -11.273 -2.645 12.682 1.00 63.25 O ATOM 935 CB LYS A 63 -13.029 -4.024 15.131 1.00 33.45 C ATOM 936 CG LYS A 63 -12.159 -5.191 14.599 1.00 60.03 C ATOM 937 CD LYS A 63 -12.090 -6.396 15.568 1.00 41.20 C ATOM 938 CE LYS A 63 -11.173 -7.531 15.058 1.00 74.23 C ATOM 939 NZ LYS A 63 -11.591 -8.059 13.727 1.00 40.34 N ATOM 0 H LYS A 63 -13.820 -4.106 12.626 1.00 74.35 H new ATOM 0 HA LYS A 63 -13.709 -2.008 14.697 1.00 64.02 H new ATOM 0 HB2 LYS A 63 -12.598 -3.671 16.068 1.00 33.45 H new ATOM 0 HB3 LYS A 63 -14.022 -4.411 15.362 1.00 33.45 H new ATOM 0 HG2 LYS A 63 -12.559 -5.526 13.642 1.00 60.03 H new ATOM 0 HG3 LYS A 63 -11.149 -4.826 14.412 1.00 60.03 H new ATOM 0 HD2 LYS A 63 -11.730 -6.054 16.538 1.00 41.20 H new ATOM 0 HD3 LYS A 63 -13.095 -6.790 15.721 1.00 41.20 H new ATOM 0 HE2 LYS A 63 -10.149 -7.163 14.992 1.00 74.23 H new ATOM 0 HE3 LYS A 63 -11.173 -8.345 15.783 1.00 74.23 H new ATOM 0 HZ1 LYS A 63 -10.932 -8.805 13.427 1.00 40.34 H new ATOM 0 HZ2 LYS A 63 -12.551 -8.452 13.796 1.00 40.34 H new ATOM 0 HZ3 LYS A 63 -11.582 -7.288 13.029 1.00 40.34 H new ATOM 953 N THR A 64 -11.194 -1.419 14.591 1.00 10.10 N ATOM 954 CA THR A 64 -9.820 -0.911 14.368 1.00 72.01 C ATOM 955 C THR A 64 -8.809 -1.938 14.919 1.00 74.13 C ATOM 956 O THR A 64 -8.733 -2.157 16.133 1.00 51.25 O ATOM 957 CB THR A 64 -9.583 0.495 15.024 1.00 14.42 C ATOM 958 OG1 THR A 64 -10.551 1.438 14.529 1.00 43.42 O ATOM 959 CG2 THR A 64 -8.167 1.043 14.740 1.00 62.13 C ATOM 0 H THR A 64 -11.636 -1.061 15.437 1.00 10.10 H new ATOM 0 HA THR A 64 -9.680 -0.780 13.295 1.00 72.01 H new ATOM 0 HB THR A 64 -9.689 0.365 16.101 1.00 14.42 H new ATOM 0 HG1 THR A 64 -10.398 2.312 14.944 1.00 43.42 H new ATOM 0 HG21 THR A 64 -8.052 2.017 15.215 1.00 62.13 H new ATOM 0 HG22 THR A 64 -7.423 0.354 15.141 1.00 62.13 H new ATOM 0 HG23 THR A 64 -8.025 1.145 13.664 1.00 62.13 H new ATOM 967 N LEU A 65 -8.056 -2.560 14.007 1.00 12.23 N ATOM 968 CA LEU A 65 -7.128 -3.659 14.322 1.00 13.15 C ATOM 969 C LEU A 65 -5.894 -3.131 15.098 1.00 44.34 C ATOM 970 O LEU A 65 -5.164 -2.261 14.617 1.00 3.04 O ATOM 971 CB LEU A 65 -6.713 -4.354 13.002 1.00 31.20 C ATOM 972 CG LEU A 65 -7.890 -4.930 12.141 1.00 53.22 C ATOM 973 CD1 LEU A 65 -7.420 -5.311 10.722 1.00 61.43 C ATOM 974 CD2 LEU A 65 -8.556 -6.134 12.845 1.00 63.40 C ATOM 0 H LEU A 65 -8.071 -2.315 13.017 1.00 12.23 H new ATOM 0 HA LEU A 65 -7.622 -4.386 14.967 1.00 13.15 H new ATOM 0 HB2 LEU A 65 -6.158 -3.639 12.395 1.00 31.20 H new ATOM 0 HB3 LEU A 65 -6.029 -5.168 13.240 1.00 31.20 H new ATOM 0 HG LEU A 65 -8.637 -4.142 12.040 1.00 53.22 H new ATOM 0 HD11 LEU A 65 -8.262 -5.707 10.154 1.00 61.43 H new ATOM 0 HD12 LEU A 65 -7.026 -4.427 10.220 1.00 61.43 H new ATOM 0 HD13 LEU A 65 -6.639 -6.069 10.789 1.00 61.43 H new ATOM 0 HD21 LEU A 65 -9.369 -6.514 12.226 1.00 63.40 H new ATOM 0 HD22 LEU A 65 -7.817 -6.921 12.997 1.00 63.40 H new ATOM 0 HD23 LEU A 65 -8.952 -5.818 13.810 1.00 63.40 H new ATOM 986 N GLN A 66 -5.693 -3.656 16.310 1.00 0.15 N ATOM 987 CA GLN A 66 -4.627 -3.206 17.233 1.00 60.11 C ATOM 988 C GLN A 66 -3.322 -4.029 17.033 1.00 35.32 C ATOM 989 O GLN A 66 -3.378 -5.133 16.480 1.00 52.24 O ATOM 990 CB GLN A 66 -5.146 -3.324 18.699 1.00 32.53 C ATOM 991 CG GLN A 66 -6.445 -2.537 18.984 1.00 0.34 C ATOM 992 CD GLN A 66 -6.323 -1.029 18.722 1.00 72.22 C ATOM 993 OE1 GLN A 66 -5.960 -0.255 19.598 1.00 51.42 O ATOM 994 NE2 GLN A 66 -6.627 -0.599 17.511 1.00 11.51 N ATOM 0 H GLN A 66 -6.265 -4.411 16.688 1.00 0.15 H new ATOM 0 HA GLN A 66 -4.382 -2.166 17.018 1.00 60.11 H new ATOM 0 HB2 GLN A 66 -5.316 -4.376 18.927 1.00 32.53 H new ATOM 0 HB3 GLN A 66 -4.367 -2.973 19.376 1.00 32.53 H new ATOM 0 HG2 GLN A 66 -7.247 -2.941 18.366 1.00 0.34 H new ATOM 0 HG3 GLN A 66 -6.734 -2.694 20.023 1.00 0.34 H new ATOM 0 HE21 GLN A 66 -6.927 -1.261 16.795 1.00 11.51 H new ATOM 0 HE22 GLN A 66 -6.561 0.395 17.291 1.00 11.51 H new ATOM 1003 N PRO A 67 -2.116 -3.486 17.433 1.00 54.24 N ATOM 1004 CA PRO A 67 -0.846 -4.266 17.440 1.00 72.04 C ATOM 1005 C PRO A 67 -0.969 -5.632 18.183 1.00 15.23 C ATOM 1006 O PRO A 67 -1.153 -5.678 19.404 1.00 34.52 O ATOM 1007 CB PRO A 67 0.151 -3.312 18.150 1.00 3.11 C ATOM 1008 CG PRO A 67 -0.368 -1.943 17.828 1.00 45.04 C ATOM 1009 CD PRO A 67 -1.879 -2.068 17.839 1.00 23.23 C ATOM 0 HA PRO A 67 -0.534 -4.550 16.435 1.00 72.04 H new ATOM 0 HB2 PRO A 67 0.175 -3.487 19.226 1.00 3.11 H new ATOM 0 HB3 PRO A 67 1.168 -3.451 17.782 1.00 3.11 H new ATOM 0 HG2 PRO A 67 -0.030 -1.212 18.563 1.00 45.04 H new ATOM 0 HG3 PRO A 67 -0.009 -1.606 16.855 1.00 45.04 H new ATOM 0 HD2 PRO A 67 -2.292 -1.859 18.826 1.00 23.23 H new ATOM 0 HD3 PRO A 67 -2.344 -1.369 17.144 1.00 23.23 H new ATOM 1017 N GLY A 68 -0.874 -6.733 17.413 1.00 11.31 N ATOM 1018 CA GLY A 68 -1.063 -8.100 17.943 1.00 42.34 C ATOM 1019 C GLY A 68 -2.268 -8.846 17.339 1.00 13.22 C ATOM 1020 O GLY A 68 -2.420 -10.053 17.572 1.00 63.01 O ATOM 0 H GLY A 68 -0.666 -6.703 16.415 1.00 11.31 H new ATOM 0 HA2 GLY A 68 -0.159 -8.679 17.755 1.00 42.34 H new ATOM 0 HA3 GLY A 68 -1.188 -8.045 19.024 1.00 42.34 H new ATOM 1024 N ASP A 69 -3.130 -8.136 16.571 1.00 14.33 N ATOM 1025 CA ASP A 69 -4.189 -8.784 15.752 1.00 64.51 C ATOM 1026 C ASP A 69 -3.537 -9.570 14.596 1.00 74.50 C ATOM 1027 O ASP A 69 -2.798 -8.993 13.801 1.00 24.24 O ATOM 1028 CB ASP A 69 -5.193 -7.732 15.168 1.00 3.21 C ATOM 1029 CG ASP A 69 -6.354 -7.396 16.119 1.00 3.10 C ATOM 1030 OD1 ASP A 69 -6.202 -6.510 16.981 1.00 35.42 O ATOM 1031 OD2 ASP A 69 -7.431 -8.034 16.009 1.00 20.13 O ATOM 0 H ASP A 69 -3.115 -7.119 16.500 1.00 14.33 H new ATOM 0 HA ASP A 69 -4.748 -9.460 16.399 1.00 64.51 H new ATOM 0 HB2 ASP A 69 -4.651 -6.816 14.932 1.00 3.21 H new ATOM 0 HB3 ASP A 69 -5.600 -8.112 14.231 1.00 3.21 H new ATOM 1036 N GLN A 70 -3.807 -10.881 14.505 1.00 12.30 N ATOM 1037 CA GLN A 70 -3.297 -11.700 13.386 1.00 75.15 C ATOM 1038 C GLN A 70 -4.439 -11.898 12.364 1.00 61.42 C ATOM 1039 O GLN A 70 -5.476 -12.499 12.670 1.00 13.44 O ATOM 1040 CB GLN A 70 -2.721 -13.051 13.896 1.00 4.53 C ATOM 1041 CG GLN A 70 -1.883 -13.814 12.849 1.00 62.14 C ATOM 1042 CD GLN A 70 -1.050 -14.956 13.440 1.00 41.32 C ATOM 1043 OE1 GLN A 70 -1.492 -16.096 13.524 1.00 52.40 O ATOM 1044 NE2 GLN A 70 0.164 -14.654 13.862 1.00 71.33 N ATOM 0 H GLN A 70 -4.369 -11.396 15.183 1.00 12.30 H new ATOM 0 HA GLN A 70 -2.470 -11.187 12.895 1.00 75.15 H new ATOM 0 HB2 GLN A 70 -2.102 -12.862 14.773 1.00 4.53 H new ATOM 0 HB3 GLN A 70 -3.546 -13.687 14.219 1.00 4.53 H new ATOM 0 HG2 GLN A 70 -2.550 -14.219 12.088 1.00 62.14 H new ATOM 0 HG3 GLN A 70 -1.217 -13.112 12.348 1.00 62.14 H new ATOM 0 HE21 GLN A 70 0.509 -13.697 13.781 1.00 71.33 H new ATOM 0 HE22 GLN A 70 0.757 -15.377 14.269 1.00 71.33 H new ATOM 1053 N VAL A 71 -4.210 -11.399 11.145 1.00 45.13 N ATOM 1054 CA VAL A 71 -5.244 -11.223 10.101 1.00 34.25 C ATOM 1055 C VAL A 71 -4.830 -11.935 8.788 1.00 52.42 C ATOM 1056 O VAL A 71 -3.714 -12.438 8.677 1.00 0.34 O ATOM 1057 CB VAL A 71 -5.467 -9.677 9.832 1.00 0.13 C ATOM 1058 CG1 VAL A 71 -5.939 -8.941 11.118 1.00 2.15 C ATOM 1059 CG2 VAL A 71 -4.183 -9.010 9.254 1.00 2.24 C ATOM 0 H VAL A 71 -3.284 -11.098 10.843 1.00 45.13 H new ATOM 0 HA VAL A 71 -6.174 -11.671 10.452 1.00 34.25 H new ATOM 0 HB VAL A 71 -6.256 -9.589 9.085 1.00 0.13 H new ATOM 0 HG11 VAL A 71 -6.083 -7.883 10.900 1.00 2.15 H new ATOM 0 HG12 VAL A 71 -6.880 -9.372 11.459 1.00 2.15 H new ATOM 0 HG13 VAL A 71 -5.185 -9.051 11.898 1.00 2.15 H new ATOM 0 HG21 VAL A 71 -4.370 -7.950 9.081 1.00 2.24 H new ATOM 0 HG22 VAL A 71 -3.363 -9.123 9.964 1.00 2.24 H new ATOM 0 HG23 VAL A 71 -3.916 -9.490 8.312 1.00 2.24 H new ATOM 1069 N ILE A 72 -5.748 -12.001 7.805 1.00 54.41 N ATOM 1070 CA ILE A 72 -5.430 -12.488 6.433 1.00 22.14 C ATOM 1071 C ILE A 72 -5.626 -11.341 5.402 1.00 62.21 C ATOM 1072 O ILE A 72 -6.626 -10.608 5.457 1.00 54.13 O ATOM 1073 CB ILE A 72 -6.324 -13.728 6.021 1.00 2.44 C ATOM 1074 CG1 ILE A 72 -6.232 -14.880 7.081 1.00 32.25 C ATOM 1075 CG2 ILE A 72 -5.958 -14.255 4.604 1.00 3.41 C ATOM 1076 CD1 ILE A 72 -4.841 -15.467 7.293 1.00 12.31 C ATOM 0 H ILE A 72 -6.722 -11.724 7.928 1.00 54.41 H new ATOM 0 HA ILE A 72 -4.389 -12.812 6.436 1.00 22.14 H new ATOM 0 HB ILE A 72 -7.356 -13.379 5.991 1.00 2.44 H new ATOM 0 HG12 ILE A 72 -6.597 -14.502 8.036 1.00 32.25 H new ATOM 0 HG13 ILE A 72 -6.904 -15.683 6.778 1.00 32.25 H new ATOM 0 HG21 ILE A 72 -6.593 -15.106 4.357 1.00 3.41 H new ATOM 0 HG22 ILE A 72 -6.111 -13.463 3.871 1.00 3.41 H new ATOM 0 HG23 ILE A 72 -4.913 -14.566 4.590 1.00 3.41 H new ATOM 0 HD11 ILE A 72 -4.889 -16.255 8.045 1.00 12.31 H new ATOM 0 HD12 ILE A 72 -4.475 -15.883 6.354 1.00 12.31 H new ATOM 0 HD13 ILE A 72 -4.163 -14.683 7.631 1.00 12.31 H new ATOM 1088 N LEU A 73 -4.663 -11.203 4.466 1.00 24.12 N ATOM 1089 CA LEU A 73 -4.701 -10.183 3.388 1.00 62.31 C ATOM 1090 C LEU A 73 -5.395 -10.742 2.118 1.00 54.50 C ATOM 1091 O LEU A 73 -5.137 -11.877 1.712 1.00 53.31 O ATOM 1092 CB LEU A 73 -3.257 -9.720 3.046 1.00 0.45 C ATOM 1093 CG LEU A 73 -2.433 -9.107 4.231 1.00 62.53 C ATOM 1094 CD1 LEU A 73 -0.992 -8.755 3.788 1.00 63.45 C ATOM 1095 CD2 LEU A 73 -3.149 -7.877 4.845 1.00 42.25 C ATOM 0 H LEU A 73 -3.834 -11.796 4.434 1.00 24.12 H new ATOM 0 HA LEU A 73 -5.278 -9.330 3.744 1.00 62.31 H new ATOM 0 HB2 LEU A 73 -2.707 -10.574 2.651 1.00 0.45 H new ATOM 0 HB3 LEU A 73 -3.313 -8.980 2.248 1.00 0.45 H new ATOM 0 HG LEU A 73 -2.365 -9.867 5.010 1.00 62.53 H new ATOM 0 HD11 LEU A 73 -0.445 -8.332 4.631 1.00 63.45 H new ATOM 0 HD12 LEU A 73 -0.487 -9.657 3.444 1.00 63.45 H new ATOM 0 HD13 LEU A 73 -1.028 -8.027 2.977 1.00 63.45 H new ATOM 0 HD21 LEU A 73 -2.550 -7.478 5.663 1.00 42.25 H new ATOM 0 HD22 LEU A 73 -3.275 -7.110 4.080 1.00 42.25 H new ATOM 0 HD23 LEU A 73 -4.126 -8.176 5.224 1.00 42.25 H new ATOM 1107 N GLU A 74 -6.300 -9.945 1.515 1.00 24.25 N ATOM 1108 CA GLU A 74 -6.991 -10.310 0.248 1.00 22.15 C ATOM 1109 C GLU A 74 -6.370 -9.631 -0.997 1.00 43.22 C ATOM 1110 O GLU A 74 -6.787 -9.907 -2.127 1.00 43.21 O ATOM 1111 CB GLU A 74 -8.506 -10.005 0.330 1.00 75.55 C ATOM 1112 CG GLU A 74 -9.253 -10.787 1.428 1.00 63.14 C ATOM 1113 CD GLU A 74 -10.786 -10.743 1.274 1.00 52.33 C ATOM 1114 OE1 GLU A 74 -11.389 -9.672 1.512 1.00 13.21 O ATOM 1115 OE2 GLU A 74 -11.390 -11.777 0.895 1.00 63.25 O ATOM 0 H GLU A 74 -6.576 -9.035 1.884 1.00 24.25 H new ATOM 0 HA GLU A 74 -6.852 -11.384 0.126 1.00 22.15 H new ATOM 0 HB2 GLU A 74 -8.641 -8.938 0.505 1.00 75.55 H new ATOM 0 HB3 GLU A 74 -8.962 -10.230 -0.634 1.00 75.55 H new ATOM 0 HG2 GLU A 74 -8.923 -11.826 1.412 1.00 63.14 H new ATOM 0 HG3 GLU A 74 -8.981 -10.381 2.402 1.00 63.14 H new ATOM 1122 N ALA A 75 -5.397 -8.735 -0.791 1.00 13.13 N ATOM 1123 CA ALA A 75 -4.597 -8.140 -1.889 1.00 74.30 C ATOM 1124 C ALA A 75 -3.250 -8.861 -2.028 1.00 50.41 C ATOM 1125 O ALA A 75 -2.745 -9.465 -1.072 1.00 71.15 O ATOM 1126 CB ALA A 75 -4.350 -6.645 -1.638 1.00 44.02 C ATOM 0 H ALA A 75 -5.136 -8.397 0.136 1.00 13.13 H new ATOM 0 HA ALA A 75 -5.164 -8.256 -2.813 1.00 74.30 H new ATOM 0 HB1 ALA A 75 -3.761 -6.231 -2.457 1.00 44.02 H new ATOM 0 HB2 ALA A 75 -5.305 -6.123 -1.578 1.00 44.02 H new ATOM 0 HB3 ALA A 75 -3.808 -6.518 -0.701 1.00 44.02 H new ATOM 1132 N SER A 76 -2.662 -8.782 -3.226 1.00 50.03 N ATOM 1133 CA SER A 76 -1.290 -9.251 -3.465 1.00 65.31 C ATOM 1134 C SER A 76 -0.519 -8.232 -4.313 1.00 11.34 C ATOM 1135 O SER A 76 -0.953 -7.849 -5.405 1.00 31.24 O ATOM 1136 CB SER A 76 -1.290 -10.628 -4.178 1.00 41.45 C ATOM 1137 OG SER A 76 -1.932 -10.579 -5.444 1.00 10.34 O ATOM 0 H SER A 76 -3.118 -8.395 -4.052 1.00 50.03 H new ATOM 0 HA SER A 76 -0.800 -9.360 -2.498 1.00 65.31 H new ATOM 0 HB2 SER A 76 -0.262 -10.968 -4.307 1.00 41.45 H new ATOM 0 HB3 SER A 76 -1.792 -11.362 -3.547 1.00 41.45 H new ATOM 0 HG SER A 76 -1.782 -9.701 -5.853 1.00 10.34 H new ATOM 1143 N HIS A 77 0.620 -7.789 -3.784 1.00 14.32 N ATOM 1144 CA HIS A 77 1.672 -7.112 -4.557 1.00 73.12 C ATOM 1145 C HIS A 77 2.799 -8.129 -4.874 1.00 34.30 C ATOM 1146 O HIS A 77 3.636 -7.894 -5.753 1.00 54.32 O ATOM 1147 CB HIS A 77 2.240 -5.913 -3.731 1.00 21.13 C ATOM 1148 CG HIS A 77 1.194 -4.978 -3.139 1.00 33.32 C ATOM 1149 ND1 HIS A 77 1.472 -4.219 -2.029 1.00 11.41 N ATOM 1150 CD2 HIS A 77 -0.086 -4.726 -3.527 1.00 13.30 C ATOM 1151 CE1 HIS A 77 0.375 -3.534 -1.767 1.00 75.14 C ATOM 1152 NE2 HIS A 77 -0.590 -3.811 -2.644 1.00 1.22 N ATOM 0 H HIS A 77 0.846 -7.889 -2.794 1.00 14.32 H new ATOM 0 HA HIS A 77 1.260 -6.729 -5.491 1.00 73.12 H new ATOM 0 HB2 HIS A 77 2.851 -6.309 -2.920 1.00 21.13 H new ATOM 0 HB3 HIS A 77 2.902 -5.332 -4.373 1.00 21.13 H new ATOM 0 HD2 HIS A 77 -0.603 -5.163 -4.368 1.00 13.30 H new ATOM 0 HE1 HIS A 77 0.272 -2.838 -0.947 1.00 75.14 H new ATOM 0 HE2 HIS A 77 -1.530 -3.414 -2.655 1.00 1.22 H new ATOM 1160 N MET A 78 2.790 -9.270 -4.131 1.00 71.12 N ATOM 1161 CA MET A 78 3.866 -10.293 -4.152 1.00 30.43 C ATOM 1162 C MET A 78 3.312 -11.722 -4.392 1.00 73.21 C ATOM 1163 O MET A 78 2.092 -11.945 -4.397 1.00 35.41 O ATOM 1164 CB MET A 78 4.643 -10.266 -2.800 1.00 71.23 C ATOM 1165 CG MET A 78 5.131 -8.883 -2.372 1.00 55.31 C ATOM 1166 SD MET A 78 6.195 -8.938 -0.922 1.00 0.40 S ATOM 1167 CE MET A 78 6.491 -7.191 -0.649 1.00 24.04 C ATOM 0 H MET A 78 2.027 -9.505 -3.496 1.00 71.12 H new ATOM 0 HA MET A 78 4.531 -10.048 -4.980 1.00 30.43 H new ATOM 0 HB2 MET A 78 3.998 -10.667 -2.018 1.00 71.23 H new ATOM 0 HB3 MET A 78 5.503 -10.932 -2.877 1.00 71.23 H new ATOM 0 HG2 MET A 78 5.673 -8.422 -3.198 1.00 55.31 H new ATOM 0 HG3 MET A 78 4.270 -8.248 -2.162 1.00 55.31 H new ATOM 0 HE1 MET A 78 7.547 -7.031 -0.431 1.00 24.04 H new ATOM 0 HE2 MET A 78 6.216 -6.631 -1.543 1.00 24.04 H new ATOM 0 HE3 MET A 78 5.891 -6.848 0.194 1.00 24.04 H new ATOM 1177 N LYS A 79 4.243 -12.687 -4.562 1.00 12.40 N ATOM 1178 CA LYS A 79 3.926 -14.124 -4.722 1.00 55.41 C ATOM 1179 C LYS A 79 3.581 -14.768 -3.355 1.00 20.12 C ATOM 1180 O LYS A 79 4.468 -14.990 -2.519 1.00 2.03 O ATOM 1181 CB LYS A 79 5.126 -14.864 -5.383 1.00 54.12 C ATOM 1182 CG LYS A 79 5.490 -14.372 -6.805 1.00 0.34 C ATOM 1183 CD LYS A 79 4.344 -14.590 -7.822 1.00 2.05 C ATOM 1184 CE LYS A 79 4.725 -14.151 -9.247 1.00 44.33 C ATOM 1185 NZ LYS A 79 3.640 -14.428 -10.222 1.00 63.33 N ATOM 0 H LYS A 79 5.243 -12.489 -4.592 1.00 12.40 H new ATOM 0 HA LYS A 79 3.054 -14.216 -5.369 1.00 55.41 H new ATOM 0 HB2 LYS A 79 6.000 -14.754 -4.741 1.00 54.12 H new ATOM 0 HB3 LYS A 79 4.897 -15.929 -5.430 1.00 54.12 H new ATOM 0 HG2 LYS A 79 5.739 -13.312 -6.766 1.00 0.34 H new ATOM 0 HG3 LYS A 79 6.381 -14.896 -7.150 1.00 0.34 H new ATOM 0 HD2 LYS A 79 4.068 -15.644 -7.832 1.00 2.05 H new ATOM 0 HD3 LYS A 79 3.465 -14.034 -7.497 1.00 2.05 H new ATOM 0 HE2 LYS A 79 4.952 -13.085 -9.250 1.00 44.33 H new ATOM 0 HE3 LYS A 79 5.632 -14.670 -9.556 1.00 44.33 H new ATOM 0 HZ1 LYS A 79 3.937 -14.118 -11.169 1.00 63.33 H new ATOM 0 HZ2 LYS A 79 3.441 -15.449 -10.239 1.00 63.33 H new ATOM 0 HZ3 LYS A 79 2.781 -13.912 -9.942 1.00 63.33 H new ATOM 1199 N GLY A 80 2.283 -15.037 -3.136 1.00 63.50 N ATOM 1200 CA GLY A 80 1.800 -15.625 -1.880 1.00 72.11 C ATOM 1201 C GLY A 80 1.538 -14.585 -0.789 1.00 71.12 C ATOM 1202 O GLY A 80 1.753 -14.854 0.390 1.00 3.14 O ATOM 0 H GLY A 80 1.547 -14.854 -3.818 1.00 63.50 H new ATOM 0 HA2 GLY A 80 0.881 -16.177 -2.075 1.00 72.11 H new ATOM 0 HA3 GLY A 80 2.534 -16.345 -1.518 1.00 72.11 H new ATOM 1206 N MET A 81 1.091 -13.379 -1.196 1.00 71.10 N ATOM 1207 CA MET A 81 0.654 -12.315 -0.261 1.00 15.41 C ATOM 1208 C MET A 81 -0.864 -12.461 0.037 1.00 15.42 C ATOM 1209 O MET A 81 -1.292 -12.427 1.197 1.00 64.13 O ATOM 1210 CB MET A 81 0.972 -10.918 -0.855 1.00 31.34 C ATOM 1211 CG MET A 81 0.534 -9.733 0.019 1.00 11.22 C ATOM 1212 SD MET A 81 0.952 -8.144 -0.734 1.00 25.23 S ATOM 1213 CE MET A 81 0.151 -6.992 0.384 1.00 42.22 C ATOM 0 H MET A 81 1.022 -13.113 -2.178 1.00 71.10 H new ATOM 0 HA MET A 81 1.199 -12.417 0.678 1.00 15.41 H new ATOM 0 HB2 MET A 81 2.046 -10.847 -1.027 1.00 31.34 H new ATOM 0 HB3 MET A 81 0.487 -10.833 -1.828 1.00 31.34 H new ATOM 0 HG2 MET A 81 -0.542 -9.783 0.185 1.00 11.22 H new ATOM 0 HG3 MET A 81 1.011 -9.808 0.996 1.00 11.22 H new ATOM 0 HE1 MET A 81 0.203 -5.986 -0.032 1.00 42.22 H new ATOM 0 HE2 MET A 81 -0.893 -7.277 0.514 1.00 42.22 H new ATOM 0 HE3 MET A 81 0.655 -7.012 1.350 1.00 42.22 H new ATOM 1223 N LYS A 82 -1.669 -12.598 -1.038 1.00 61.34 N ATOM 1224 CA LYS A 82 -3.121 -12.888 -0.938 1.00 55.21 C ATOM 1225 C LYS A 82 -3.366 -14.323 -0.413 1.00 10.12 C ATOM 1226 O LYS A 82 -2.945 -15.294 -1.043 1.00 13.54 O ATOM 1227 CB LYS A 82 -3.807 -12.685 -2.314 1.00 71.41 C ATOM 1228 CG LYS A 82 -5.317 -13.020 -2.343 1.00 73.12 C ATOM 1229 CD LYS A 82 -5.969 -12.742 -3.718 1.00 62.34 C ATOM 1230 CE LYS A 82 -7.435 -13.203 -3.779 1.00 35.02 C ATOM 1231 NZ LYS A 82 -7.569 -14.673 -3.586 1.00 73.05 N ATOM 0 H LYS A 82 -1.335 -12.512 -1.998 1.00 61.34 H new ATOM 0 HA LYS A 82 -3.559 -12.191 -0.224 1.00 55.21 H new ATOM 0 HB2 LYS A 82 -3.674 -11.648 -2.621 1.00 71.41 H new ATOM 0 HB3 LYS A 82 -3.298 -13.304 -3.053 1.00 71.41 H new ATOM 0 HG2 LYS A 82 -5.456 -14.070 -2.086 1.00 73.12 H new ATOM 0 HG3 LYS A 82 -5.829 -12.435 -1.579 1.00 73.12 H new ATOM 0 HD2 LYS A 82 -5.918 -11.674 -3.931 1.00 62.34 H new ATOM 0 HD3 LYS A 82 -5.399 -13.250 -4.496 1.00 62.34 H new ATOM 0 HE2 LYS A 82 -8.010 -12.683 -3.012 1.00 35.02 H new ATOM 0 HE3 LYS A 82 -7.862 -12.924 -4.742 1.00 35.02 H new ATOM 0 HZ1 LYS A 82 -8.530 -14.972 -3.850 1.00 73.05 H new ATOM 0 HZ2 LYS A 82 -6.876 -15.166 -4.185 1.00 73.05 H new ATOM 0 HZ3 LYS A 82 -7.395 -14.909 -2.588 1.00 73.05 H new ATOM 1245 N GLY A 83 -4.067 -14.436 0.724 1.00 70.11 N ATOM 1246 CA GLY A 83 -4.304 -15.726 1.388 1.00 55.12 C ATOM 1247 C GLY A 83 -3.212 -16.095 2.405 1.00 53.21 C ATOM 1248 O GLY A 83 -3.254 -17.180 2.997 1.00 52.51 O ATOM 0 H GLY A 83 -4.484 -13.640 1.207 1.00 70.11 H new ATOM 0 HA2 GLY A 83 -5.268 -15.694 1.896 1.00 55.12 H new ATOM 0 HA3 GLY A 83 -4.367 -16.509 0.633 1.00 55.12 H new ATOM 1252 N ALA A 84 -2.226 -15.191 2.593 1.00 32.22 N ATOM 1253 CA ALA A 84 -1.139 -15.365 3.582 1.00 72.44 C ATOM 1254 C ALA A 84 -1.543 -14.827 4.967 1.00 30.15 C ATOM 1255 O ALA A 84 -2.422 -13.961 5.090 1.00 4.25 O ATOM 1256 CB ALA A 84 0.139 -14.663 3.100 1.00 43.03 C ATOM 0 H ALA A 84 -2.161 -14.321 2.064 1.00 32.22 H new ATOM 0 HA ALA A 84 -0.948 -16.434 3.678 1.00 72.44 H new ATOM 0 HB1 ALA A 84 0.930 -14.800 3.838 1.00 43.03 H new ATOM 0 HB2 ALA A 84 0.453 -15.092 2.148 1.00 43.03 H new ATOM 0 HB3 ALA A 84 -0.057 -13.599 2.971 1.00 43.03 H new ATOM 1262 N THR A 85 -0.854 -15.331 5.997 1.00 42.03 N ATOM 1263 CA THR A 85 -1.077 -14.929 7.392 1.00 72.11 C ATOM 1264 C THR A 85 -0.216 -13.693 7.730 1.00 61.45 C ATOM 1265 O THR A 85 1.011 -13.755 7.672 1.00 24.14 O ATOM 1266 CB THR A 85 -0.740 -16.103 8.376 1.00 50.54 C ATOM 1267 OG1 THR A 85 -1.350 -17.318 7.910 1.00 42.02 O ATOM 1268 CG2 THR A 85 -1.235 -15.817 9.807 1.00 64.13 C ATOM 0 H THR A 85 -0.122 -16.033 5.887 1.00 42.03 H new ATOM 0 HA THR A 85 -2.131 -14.676 7.510 1.00 72.11 H new ATOM 0 HB THR A 85 0.345 -16.203 8.402 1.00 50.54 H new ATOM 0 HG1 THR A 85 -1.136 -18.049 8.526 1.00 42.02 H new ATOM 0 HG21 THR A 85 -0.980 -16.656 10.455 1.00 64.13 H new ATOM 0 HG22 THR A 85 -0.759 -14.911 10.183 1.00 64.13 H new ATOM 0 HG23 THR A 85 -2.316 -15.681 9.798 1.00 64.13 H new ATOM 1276 N ALA A 86 -0.874 -12.584 8.082 1.00 22.31 N ATOM 1277 CA ALA A 86 -0.217 -11.309 8.443 1.00 25.54 C ATOM 1278 C ALA A 86 -0.499 -10.967 9.917 1.00 51.12 C ATOM 1279 O ALA A 86 -1.409 -11.523 10.521 1.00 61.53 O ATOM 1280 CB ALA A 86 -0.710 -10.177 7.520 1.00 4.03 C ATOM 0 H ALA A 86 -1.892 -12.539 8.127 1.00 22.31 H new ATOM 0 HA ALA A 86 0.860 -11.416 8.312 1.00 25.54 H new ATOM 0 HB1 ALA A 86 -0.219 -9.243 7.795 1.00 4.03 H new ATOM 0 HB2 ALA A 86 -0.471 -10.421 6.485 1.00 4.03 H new ATOM 0 HB3 ALA A 86 -1.789 -10.065 7.626 1.00 4.03 H new ATOM 1286 N GLU A 87 0.301 -10.067 10.494 1.00 2.55 N ATOM 1287 CA GLU A 87 0.064 -9.530 11.851 1.00 65.22 C ATOM 1288 C GLU A 87 0.150 -7.993 11.828 1.00 3.12 C ATOM 1289 O GLU A 87 1.105 -7.430 11.292 1.00 50.01 O ATOM 1290 CB GLU A 87 1.092 -10.106 12.863 1.00 1.22 C ATOM 1291 CG GLU A 87 0.847 -9.682 14.331 1.00 12.50 C ATOM 1292 CD GLU A 87 1.954 -10.157 15.288 1.00 52.53 C ATOM 1293 OE1 GLU A 87 1.931 -11.336 15.711 1.00 5.33 O ATOM 1294 OE2 GLU A 87 2.863 -9.360 15.608 1.00 22.22 O ATOM 0 H GLU A 87 1.132 -9.686 10.041 1.00 2.55 H new ATOM 0 HA GLU A 87 -0.934 -9.830 12.171 1.00 65.22 H new ATOM 0 HB2 GLU A 87 1.072 -11.194 12.803 1.00 1.22 H new ATOM 0 HB3 GLU A 87 2.092 -9.789 12.568 1.00 1.22 H new ATOM 0 HG2 GLU A 87 0.772 -8.596 14.382 1.00 12.50 H new ATOM 0 HG3 GLU A 87 -0.110 -10.083 14.664 1.00 12.50 H new ATOM 1301 N ILE A 88 -0.862 -7.331 12.405 1.00 41.13 N ATOM 1302 CA ILE A 88 -0.891 -5.868 12.562 1.00 70.10 C ATOM 1303 C ILE A 88 0.244 -5.411 13.512 1.00 33.13 C ATOM 1304 O ILE A 88 0.188 -5.648 14.722 1.00 5.23 O ATOM 1305 CB ILE A 88 -2.286 -5.380 13.116 1.00 41.13 C ATOM 1306 CG1 ILE A 88 -3.453 -5.908 12.218 1.00 73.51 C ATOM 1307 CG2 ILE A 88 -2.339 -3.830 13.261 1.00 54.44 C ATOM 1308 CD1 ILE A 88 -3.464 -5.376 10.793 1.00 63.42 C ATOM 0 H ILE A 88 -1.689 -7.797 12.779 1.00 41.13 H new ATOM 0 HA ILE A 88 -0.740 -5.421 11.579 1.00 70.10 H new ATOM 0 HB ILE A 88 -2.411 -5.798 14.115 1.00 41.13 H new ATOM 0 HG12 ILE A 88 -3.399 -6.996 12.182 1.00 73.51 H new ATOM 0 HG13 ILE A 88 -4.400 -5.651 12.692 1.00 73.51 H new ATOM 0 HG21 ILE A 88 -3.315 -3.534 13.645 1.00 54.44 H new ATOM 0 HG22 ILE A 88 -1.562 -3.502 13.952 1.00 54.44 H new ATOM 0 HG23 ILE A 88 -2.177 -3.368 12.287 1.00 54.44 H new ATOM 0 HD11 ILE A 88 -4.310 -5.801 10.253 1.00 63.42 H new ATOM 0 HD12 ILE A 88 -3.553 -4.290 10.811 1.00 63.42 H new ATOM 0 HD13 ILE A 88 -2.537 -5.656 10.293 1.00 63.42 H new ATOM 1320 N ASP A 89 1.302 -4.838 12.927 1.00 72.32 N ATOM 1321 CA ASP A 89 2.406 -4.199 13.674 1.00 33.33 C ATOM 1322 C ASP A 89 1.949 -2.839 14.267 1.00 22.03 C ATOM 1323 O ASP A 89 2.313 -2.483 15.398 1.00 51.34 O ATOM 1324 CB ASP A 89 3.618 -4.021 12.720 1.00 12.11 C ATOM 1325 CG ASP A 89 4.819 -3.299 13.358 1.00 64.55 C ATOM 1326 OD1 ASP A 89 5.680 -3.972 13.970 1.00 3.12 O ATOM 1327 OD2 ASP A 89 4.924 -2.054 13.234 1.00 22.34 O ATOM 0 H ASP A 89 1.423 -4.801 11.915 1.00 72.32 H new ATOM 0 HA ASP A 89 2.702 -4.832 14.511 1.00 33.33 H new ATOM 0 HB2 ASP A 89 3.940 -5.003 12.373 1.00 12.11 H new ATOM 0 HB3 ASP A 89 3.296 -3.462 11.842 1.00 12.11 H new ATOM 1332 N SER A 90 1.121 -2.107 13.492 1.00 1.13 N ATOM 1333 CA SER A 90 0.686 -0.728 13.838 1.00 2.44 C ATOM 1334 C SER A 90 -0.565 -0.298 13.029 1.00 52.22 C ATOM 1335 O SER A 90 -0.861 -0.858 11.966 1.00 62.22 O ATOM 1336 CB SER A 90 1.839 0.290 13.606 1.00 34.45 C ATOM 1337 OG SER A 90 1.459 1.613 13.970 1.00 21.31 O ATOM 0 H SER A 90 0.734 -2.449 12.612 1.00 1.13 H new ATOM 0 HA SER A 90 0.420 -0.733 14.895 1.00 2.44 H new ATOM 0 HB2 SER A 90 2.711 -0.010 14.187 1.00 34.45 H new ATOM 0 HB3 SER A 90 2.134 0.272 12.557 1.00 34.45 H new ATOM 0 HG SER A 90 2.209 2.224 13.812 1.00 21.31 H new ATOM 1343 N ALA A 91 -1.285 0.713 13.558 1.00 5.52 N ATOM 1344 CA ALA A 91 -2.482 1.321 12.917 1.00 61.51 C ATOM 1345 C ALA A 91 -2.239 2.822 12.619 1.00 1.01 C ATOM 1346 O ALA A 91 -1.476 3.481 13.336 1.00 44.45 O ATOM 1347 CB ALA A 91 -3.710 1.147 13.835 1.00 51.41 C ATOM 0 H ALA A 91 -1.052 1.140 14.455 1.00 5.52 H new ATOM 0 HA ALA A 91 -2.670 0.813 11.971 1.00 61.51 H new ATOM 0 HB1 ALA A 91 -4.584 1.594 13.362 1.00 51.41 H new ATOM 0 HB2 ALA A 91 -3.891 0.085 14.003 1.00 51.41 H new ATOM 0 HB3 ALA A 91 -3.523 1.639 14.790 1.00 51.41 H new ATOM 1353 N GLU A 92 -2.889 3.359 11.560 1.00 63.53 N ATOM 1354 CA GLU A 92 -2.756 4.794 11.182 1.00 13.54 C ATOM 1355 C GLU A 92 -3.996 5.308 10.405 1.00 14.35 C ATOM 1356 O GLU A 92 -4.471 4.648 9.495 1.00 43.34 O ATOM 1357 CB GLU A 92 -1.457 4.996 10.335 1.00 63.33 C ATOM 1358 CG GLU A 92 -1.172 6.446 9.884 1.00 12.21 C ATOM 1359 CD GLU A 92 -1.081 7.454 11.048 1.00 62.55 C ATOM 1360 OE1 GLU A 92 -0.029 7.512 11.721 1.00 52.43 O ATOM 1361 OE2 GLU A 92 -2.058 8.203 11.285 1.00 14.34 O ATOM 0 H GLU A 92 -3.510 2.826 10.951 1.00 63.53 H new ATOM 0 HA GLU A 92 -2.688 5.379 12.100 1.00 13.54 H new ATOM 0 HB2 GLU A 92 -0.606 4.642 10.918 1.00 63.33 H new ATOM 0 HB3 GLU A 92 -1.521 4.365 9.449 1.00 63.33 H new ATOM 0 HG2 GLU A 92 -0.236 6.465 9.325 1.00 12.21 H new ATOM 0 HG3 GLU A 92 -1.959 6.765 9.200 1.00 12.21 H new ATOM 1368 N LYS A 93 -4.511 6.499 10.782 1.00 4.03 N ATOM 1369 CA LYS A 93 -5.592 7.199 10.035 1.00 23.15 C ATOM 1370 C LYS A 93 -4.951 8.200 9.030 1.00 15.45 C ATOM 1371 O LYS A 93 -4.564 9.311 9.409 1.00 52.02 O ATOM 1372 CB LYS A 93 -6.568 7.943 11.012 1.00 15.52 C ATOM 1373 CG LYS A 93 -7.684 7.078 11.665 1.00 60.03 C ATOM 1374 CD LYS A 93 -7.168 5.892 12.515 1.00 73.33 C ATOM 1375 CE LYS A 93 -8.293 5.225 13.339 1.00 60.25 C ATOM 1376 NZ LYS A 93 -9.435 4.753 12.503 1.00 20.40 N ATOM 0 H LYS A 93 -4.194 7.005 11.609 1.00 4.03 H new ATOM 0 HA LYS A 93 -6.180 6.461 9.489 1.00 23.15 H new ATOM 0 HB2 LYS A 93 -5.976 8.395 11.808 1.00 15.52 H new ATOM 0 HB3 LYS A 93 -7.043 8.758 10.466 1.00 15.52 H new ATOM 0 HG2 LYS A 93 -8.299 7.719 12.296 1.00 60.03 H new ATOM 0 HG3 LYS A 93 -8.331 6.689 10.878 1.00 60.03 H new ATOM 0 HD2 LYS A 93 -6.712 5.150 11.860 1.00 73.33 H new ATOM 0 HD3 LYS A 93 -6.387 6.244 13.189 1.00 73.33 H new ATOM 0 HE2 LYS A 93 -7.879 4.379 13.888 1.00 60.25 H new ATOM 0 HE3 LYS A 93 -8.662 5.935 14.079 1.00 60.25 H new ATOM 0 HZ1 LYS A 93 -10.115 4.241 13.101 1.00 20.40 H new ATOM 0 HZ2 LYS A 93 -9.906 5.570 12.065 1.00 20.40 H new ATOM 0 HZ3 LYS A 93 -9.082 4.118 11.759 1.00 20.40 H new ATOM 1390 N THR A 94 -4.802 7.774 7.759 1.00 61.25 N ATOM 1391 CA THR A 94 -4.132 8.573 6.694 1.00 13.04 C ATOM 1392 C THR A 94 -4.908 8.510 5.360 1.00 21.45 C ATOM 1393 O THR A 94 -5.613 7.535 5.091 1.00 33.10 O ATOM 1394 CB THR A 94 -2.656 8.085 6.464 1.00 53.42 C ATOM 1395 OG1 THR A 94 -2.043 8.787 5.358 1.00 3.14 O ATOM 1396 CG2 THR A 94 -2.580 6.567 6.215 1.00 64.32 C ATOM 0 H THR A 94 -5.140 6.868 7.435 1.00 61.25 H new ATOM 0 HA THR A 94 -4.117 9.607 7.038 1.00 13.04 H new ATOM 0 HB THR A 94 -2.109 8.308 7.380 1.00 53.42 H new ATOM 0 HG1 THR A 94 -1.084 8.587 5.335 1.00 3.14 H new ATOM 0 HG21 THR A 94 -1.541 6.275 6.061 1.00 64.32 H new ATOM 0 HG22 THR A 94 -2.982 6.036 7.078 1.00 64.32 H new ATOM 0 HG23 THR A 94 -3.163 6.314 5.329 1.00 64.32 H new ATOM 1404 N THR A 95 -4.753 9.543 4.507 1.00 25.13 N ATOM 1405 CA THR A 95 -5.344 9.539 3.150 1.00 64.02 C ATOM 1406 C THR A 95 -4.446 8.702 2.211 1.00 54.41 C ATOM 1407 O THR A 95 -3.269 9.029 2.016 1.00 34.35 O ATOM 1408 CB THR A 95 -5.521 10.993 2.588 1.00 72.42 C ATOM 1409 OG1 THR A 95 -6.306 11.772 3.512 1.00 51.11 O ATOM 1410 CG2 THR A 95 -6.206 11.010 1.199 1.00 32.41 C ATOM 0 H THR A 95 -4.227 10.387 4.731 1.00 25.13 H new ATOM 0 HA THR A 95 -6.338 9.095 3.206 1.00 64.02 H new ATOM 0 HB THR A 95 -4.525 11.420 2.471 1.00 72.42 H new ATOM 0 HG1 THR A 95 -6.416 12.681 3.163 1.00 51.11 H new ATOM 0 HG21 THR A 95 -6.305 12.039 0.855 1.00 32.41 H new ATOM 0 HG22 THR A 95 -5.602 10.446 0.488 1.00 32.41 H new ATOM 0 HG23 THR A 95 -7.194 10.556 1.275 1.00 32.41 H new ATOM 1418 N VAL A 96 -5.012 7.624 1.642 1.00 62.25 N ATOM 1419 CA VAL A 96 -4.282 6.667 0.793 1.00 71.14 C ATOM 1420 C VAL A 96 -4.706 6.812 -0.681 1.00 2.21 C ATOM 1421 O VAL A 96 -5.890 6.960 -0.989 1.00 21.42 O ATOM 1422 CB VAL A 96 -4.479 5.178 1.272 1.00 61.42 C ATOM 1423 CG1 VAL A 96 -3.824 4.960 2.653 1.00 42.20 C ATOM 1424 CG2 VAL A 96 -5.973 4.768 1.295 1.00 53.41 C ATOM 0 H VAL A 96 -5.998 7.390 1.760 1.00 62.25 H new ATOM 0 HA VAL A 96 -3.222 6.904 0.884 1.00 71.14 H new ATOM 0 HB VAL A 96 -3.982 4.533 0.547 1.00 61.42 H new ATOM 0 HG11 VAL A 96 -3.971 3.926 2.966 1.00 42.20 H new ATOM 0 HG12 VAL A 96 -2.757 5.171 2.587 1.00 42.20 H new ATOM 0 HG13 VAL A 96 -4.281 5.629 3.382 1.00 42.20 H new ATOM 0 HG21 VAL A 96 -6.062 3.735 1.631 1.00 53.41 H new ATOM 0 HG22 VAL A 96 -6.519 5.420 1.977 1.00 53.41 H new ATOM 0 HG23 VAL A 96 -6.391 4.861 0.293 1.00 53.41 H new ATOM 1434 N TYR A 97 -3.724 6.793 -1.586 1.00 33.34 N ATOM 1435 CA TYR A 97 -3.949 7.006 -3.026 1.00 31.11 C ATOM 1436 C TYR A 97 -3.719 5.738 -3.861 1.00 72.11 C ATOM 1437 O TYR A 97 -2.876 4.886 -3.553 1.00 13.30 O ATOM 1438 CB TYR A 97 -3.038 8.147 -3.546 1.00 32.53 C ATOM 1439 CG TYR A 97 -3.384 9.513 -2.944 1.00 71.14 C ATOM 1440 CD1 TYR A 97 -2.841 9.926 -1.730 1.00 5.30 C ATOM 1441 CD2 TYR A 97 -4.288 10.368 -3.577 1.00 1.52 C ATOM 1442 CE1 TYR A 97 -3.183 11.139 -1.178 1.00 31.23 C ATOM 1443 CE2 TYR A 97 -4.623 11.583 -3.024 1.00 1.24 C ATOM 1444 CZ TYR A 97 -4.071 11.963 -1.825 1.00 15.35 C ATOM 1445 OH TYR A 97 -4.401 13.175 -1.269 1.00 45.14 O ATOM 0 H TYR A 97 -2.747 6.629 -1.344 1.00 33.34 H new ATOM 0 HA TYR A 97 -4.997 7.282 -3.142 1.00 31.11 H new ATOM 0 HB2 TYR A 97 -2.000 7.908 -3.317 1.00 32.53 H new ATOM 0 HB3 TYR A 97 -3.120 8.203 -4.631 1.00 32.53 H new ATOM 0 HD1 TYR A 97 -2.141 9.285 -1.214 1.00 5.30 H new ATOM 0 HD2 TYR A 97 -4.732 10.071 -4.516 1.00 1.52 H new ATOM 0 HE1 TYR A 97 -2.753 11.443 -0.235 1.00 31.23 H new ATOM 0 HE2 TYR A 97 -5.318 12.236 -3.531 1.00 1.24 H new ATOM 0 HH TYR A 97 -3.773 13.385 -0.546 1.00 45.14 H new ATOM 1455 N MET A 98 -4.518 5.649 -4.919 1.00 45.22 N ATOM 1456 CA MET A 98 -4.329 4.729 -6.034 1.00 43.43 C ATOM 1457 C MET A 98 -3.873 5.580 -7.245 1.00 32.11 C ATOM 1458 O MET A 98 -4.583 6.500 -7.643 1.00 21.54 O ATOM 1459 CB MET A 98 -5.669 3.998 -6.295 1.00 73.45 C ATOM 1460 CG MET A 98 -5.643 2.947 -7.407 1.00 44.12 C ATOM 1461 SD MET A 98 -7.235 2.110 -7.600 1.00 25.33 S ATOM 1462 CE MET A 98 -8.371 3.474 -7.894 1.00 3.21 C ATOM 0 H MET A 98 -5.345 6.237 -5.027 1.00 45.22 H new ATOM 0 HA MET A 98 -3.576 3.967 -5.834 1.00 43.43 H new ATOM 0 HB2 MET A 98 -5.985 3.515 -5.370 1.00 73.45 H new ATOM 0 HB3 MET A 98 -6.426 4.742 -6.541 1.00 73.45 H new ATOM 0 HG2 MET A 98 -5.370 3.424 -8.348 1.00 44.12 H new ATOM 0 HG3 MET A 98 -4.871 2.209 -7.188 1.00 44.12 H new ATOM 0 HE1 MET A 98 -9.092 3.188 -8.660 1.00 3.21 H new ATOM 0 HE2 MET A 98 -8.898 3.714 -6.971 1.00 3.21 H new ATOM 0 HE3 MET A 98 -7.812 4.347 -8.230 1.00 3.21 H new ATOM 1472 N VAL A 99 -2.664 5.314 -7.781 1.00 74.12 N ATOM 1473 CA VAL A 99 -2.013 6.184 -8.814 1.00 74.31 C ATOM 1474 C VAL A 99 -1.554 5.388 -10.064 1.00 44.13 C ATOM 1475 O VAL A 99 -1.625 4.169 -10.092 1.00 10.50 O ATOM 1476 CB VAL A 99 -0.776 6.961 -8.205 1.00 1.44 C ATOM 1477 CG1 VAL A 99 -1.222 7.989 -7.130 1.00 54.13 C ATOM 1478 CG2 VAL A 99 0.284 5.975 -7.630 1.00 2.51 C ATOM 0 H VAL A 99 -2.106 4.501 -7.521 1.00 74.12 H new ATOM 0 HA VAL A 99 -2.774 6.897 -9.131 1.00 74.31 H new ATOM 0 HB VAL A 99 -0.309 7.516 -9.018 1.00 1.44 H new ATOM 0 HG11 VAL A 99 -0.347 8.504 -6.734 1.00 54.13 H new ATOM 0 HG12 VAL A 99 -1.898 8.716 -7.580 1.00 54.13 H new ATOM 0 HG13 VAL A 99 -1.735 7.470 -6.321 1.00 54.13 H new ATOM 0 HG21 VAL A 99 1.121 6.540 -7.219 1.00 2.51 H new ATOM 0 HG22 VAL A 99 -0.169 5.373 -6.842 1.00 2.51 H new ATOM 0 HG23 VAL A 99 0.643 5.322 -8.426 1.00 2.51 H new ATOM 1488 N ASP A 100 -1.085 6.107 -11.104 1.00 25.51 N ATOM 1489 CA ASP A 100 -0.454 5.491 -12.296 1.00 64.51 C ATOM 1490 C ASP A 100 0.791 6.304 -12.730 1.00 75.32 C ATOM 1491 O ASP A 100 0.742 7.529 -12.817 1.00 1.03 O ATOM 1492 CB ASP A 100 -1.473 5.330 -13.461 1.00 33.31 C ATOM 1493 CG ASP A 100 -1.913 6.648 -14.134 1.00 52.43 C ATOM 1494 OD1 ASP A 100 -2.814 7.325 -13.605 1.00 44.24 O ATOM 1495 OD2 ASP A 100 -1.350 7.006 -15.197 1.00 42.03 O ATOM 0 H ASP A 100 -1.131 7.125 -11.145 1.00 25.51 H new ATOM 0 HA ASP A 100 -0.122 4.488 -12.026 1.00 64.51 H new ATOM 0 HB2 ASP A 100 -1.034 4.682 -14.220 1.00 33.31 H new ATOM 0 HB3 ASP A 100 -2.359 4.821 -13.080 1.00 33.31 H new ATOM 1500 N TYR A 101 1.907 5.612 -13.005 1.00 22.53 N ATOM 1501 CA TYR A 101 3.206 6.257 -13.314 1.00 75.42 C ATOM 1502 C TYR A 101 4.066 5.381 -14.237 1.00 54.32 C ATOM 1503 O TYR A 101 3.693 4.261 -14.578 1.00 42.22 O ATOM 1504 CB TYR A 101 3.984 6.590 -12.000 1.00 43.41 C ATOM 1505 CG TYR A 101 4.285 5.390 -11.079 1.00 30.15 C ATOM 1506 CD1 TYR A 101 3.351 4.957 -10.132 1.00 31.23 C ATOM 1507 CD2 TYR A 101 5.509 4.709 -11.134 1.00 55.32 C ATOM 1508 CE1 TYR A 101 3.620 3.893 -9.292 1.00 50.21 C ATOM 1509 CE2 TYR A 101 5.777 3.640 -10.295 1.00 31.34 C ATOM 1510 CZ TYR A 101 4.831 3.242 -9.371 1.00 34.24 C ATOM 1511 OH TYR A 101 5.091 2.178 -8.528 1.00 52.04 O ATOM 0 H TYR A 101 1.942 4.593 -13.021 1.00 22.53 H new ATOM 0 HA TYR A 101 2.993 7.187 -13.840 1.00 75.42 H new ATOM 0 HB2 TYR A 101 4.928 7.064 -12.269 1.00 43.41 H new ATOM 0 HB3 TYR A 101 3.409 7.323 -11.435 1.00 43.41 H new ATOM 0 HD1 TYR A 101 2.401 5.464 -10.056 1.00 31.23 H new ATOM 0 HD2 TYR A 101 6.258 5.024 -11.845 1.00 55.32 H new ATOM 0 HE1 TYR A 101 2.880 3.572 -8.573 1.00 50.21 H new ATOM 0 HE2 TYR A 101 6.721 3.120 -10.363 1.00 31.34 H new ATOM 0 HH TYR A 101 5.988 1.827 -8.711 1.00 52.04 H new ATOM 1521 N THR A 102 5.238 5.914 -14.616 1.00 63.31 N ATOM 1522 CA THR A 102 6.255 5.181 -15.397 1.00 61.25 C ATOM 1523 C THR A 102 7.476 4.939 -14.493 1.00 13.33 C ATOM 1524 O THR A 102 8.144 5.895 -14.082 1.00 52.01 O ATOM 1525 CB THR A 102 6.689 5.964 -16.690 1.00 22.23 C ATOM 1526 OG1 THR A 102 5.537 6.216 -17.511 1.00 43.42 O ATOM 1527 CG2 THR A 102 7.751 5.199 -17.518 1.00 0.12 C ATOM 0 H THR A 102 5.511 6.870 -14.390 1.00 63.31 H new ATOM 0 HA THR A 102 5.825 4.236 -15.729 1.00 61.25 H new ATOM 0 HB THR A 102 7.139 6.902 -16.364 1.00 22.23 H new ATOM 0 HG1 THR A 102 5.809 6.705 -18.315 1.00 43.42 H new ATOM 0 HG21 THR A 102 8.015 5.783 -18.399 1.00 0.12 H new ATOM 0 HG22 THR A 102 8.641 5.038 -16.909 1.00 0.12 H new ATOM 0 HG23 THR A 102 7.345 4.236 -17.829 1.00 0.12 H new ATOM 1535 N SER A 103 7.722 3.662 -14.151 1.00 54.43 N ATOM 1536 CA SER A 103 8.873 3.252 -13.320 1.00 24.42 C ATOM 1537 C SER A 103 10.218 3.665 -13.977 1.00 43.42 C ATOM 1538 O SER A 103 10.546 3.221 -15.071 1.00 33.50 O ATOM 1539 CB SER A 103 8.828 1.725 -13.051 1.00 12.14 C ATOM 1540 OG SER A 103 8.820 0.982 -14.258 1.00 1.11 O ATOM 0 H SER A 103 7.130 2.884 -14.442 1.00 54.43 H new ATOM 0 HA SER A 103 8.804 3.771 -12.364 1.00 24.42 H new ATOM 0 HB2 SER A 103 9.690 1.435 -12.451 1.00 12.14 H new ATOM 0 HB3 SER A 103 7.939 1.484 -12.469 1.00 12.14 H new ATOM 0 HG SER A 103 7.956 1.095 -14.706 1.00 1.11 H new ATOM 1546 N THR A 104 10.952 4.550 -13.287 1.00 44.00 N ATOM 1547 CA THR A 104 12.229 5.142 -13.757 1.00 74.32 C ATOM 1548 C THR A 104 13.330 4.090 -14.080 1.00 62.33 C ATOM 1549 O THR A 104 14.150 4.306 -14.977 1.00 74.04 O ATOM 1550 CB THR A 104 12.780 6.147 -12.690 1.00 25.10 C ATOM 1551 OG1 THR A 104 12.983 5.468 -11.432 1.00 75.32 O ATOM 1552 CG2 THR A 104 11.826 7.341 -12.472 1.00 30.32 C ATOM 0 H THR A 104 10.675 4.887 -12.365 1.00 44.00 H new ATOM 0 HA THR A 104 11.994 5.653 -14.691 1.00 74.32 H new ATOM 0 HB THR A 104 13.727 6.534 -13.068 1.00 25.10 H new ATOM 0 HG1 THR A 104 12.118 5.178 -11.074 1.00 75.32 H new ATOM 0 HG21 THR A 104 12.248 8.012 -11.724 1.00 30.32 H new ATOM 0 HG22 THR A 104 11.697 7.879 -13.411 1.00 30.32 H new ATOM 0 HG23 THR A 104 10.859 6.976 -12.127 1.00 30.32 H new ATOM 1560 N THR A 105 13.347 2.964 -13.340 1.00 60.52 N ATOM 1561 CA THR A 105 14.354 1.885 -13.537 1.00 73.20 C ATOM 1562 C THR A 105 13.907 0.852 -14.603 1.00 45.22 C ATOM 1563 O THR A 105 14.691 0.454 -15.471 1.00 14.20 O ATOM 1564 CB THR A 105 14.656 1.116 -12.197 1.00 63.30 C ATOM 1565 OG1 THR A 105 13.476 0.424 -11.725 1.00 24.44 O ATOM 1566 CG2 THR A 105 15.167 2.066 -11.095 1.00 31.44 C ATOM 0 H THR A 105 12.676 2.771 -12.597 1.00 60.52 H new ATOM 0 HA THR A 105 15.257 2.388 -13.883 1.00 73.20 H new ATOM 0 HB THR A 105 15.439 0.390 -12.417 1.00 63.30 H new ATOM 0 HG1 THR A 105 13.349 -0.397 -12.244 1.00 24.44 H new ATOM 0 HG21 THR A 105 15.364 1.497 -10.186 1.00 31.44 H new ATOM 0 HG22 THR A 105 16.086 2.548 -11.428 1.00 31.44 H new ATOM 0 HG23 THR A 105 14.412 2.826 -10.891 1.00 31.44 H new ATOM 1574 N SER A 106 12.632 0.427 -14.517 1.00 74.14 N ATOM 1575 CA SER A 106 12.095 -0.720 -15.302 1.00 74.52 C ATOM 1576 C SER A 106 11.533 -0.286 -16.680 1.00 52.51 C ATOM 1577 O SER A 106 11.584 -1.051 -17.650 1.00 74.45 O ATOM 1578 CB SER A 106 10.996 -1.432 -14.475 1.00 61.12 C ATOM 1579 OG SER A 106 11.467 -1.756 -13.174 1.00 35.25 O ATOM 0 H SER A 106 11.941 0.862 -13.906 1.00 74.14 H new ATOM 0 HA SER A 106 12.920 -1.404 -15.501 1.00 74.52 H new ATOM 0 HB2 SER A 106 10.119 -0.789 -14.398 1.00 61.12 H new ATOM 0 HB3 SER A 106 10.681 -2.341 -14.988 1.00 61.12 H new ATOM 0 HG SER A 106 10.755 -2.203 -12.670 1.00 35.25 H new ATOM 1585 N GLY A 107 10.988 0.945 -16.740 1.00 31.22 N ATOM 1586 CA GLY A 107 10.345 1.488 -17.957 1.00 11.33 C ATOM 1587 C GLY A 107 8.843 1.168 -18.055 1.00 5.12 C ATOM 1588 O GLY A 107 8.151 1.670 -18.948 1.00 3.23 O ATOM 0 H GLY A 107 10.980 1.590 -15.950 1.00 31.22 H new ATOM 0 HA2 GLY A 107 10.480 2.569 -17.977 1.00 11.33 H new ATOM 0 HA3 GLY A 107 10.851 1.087 -18.835 1.00 11.33 H new ATOM 1592 N GLU A 108 8.352 0.346 -17.110 1.00 53.34 N ATOM 1593 CA GLU A 108 6.958 -0.152 -17.084 1.00 43.32 C ATOM 1594 C GLU A 108 5.964 0.921 -16.573 1.00 1.13 C ATOM 1595 O GLU A 108 6.202 1.563 -15.546 1.00 11.22 O ATOM 1596 CB GLU A 108 6.883 -1.420 -16.186 1.00 24.11 C ATOM 1597 CG GLU A 108 5.461 -1.980 -15.969 1.00 32.51 C ATOM 1598 CD GLU A 108 5.438 -3.265 -15.126 1.00 75.33 C ATOM 1599 OE1 GLU A 108 5.446 -3.179 -13.877 1.00 24.12 O ATOM 1600 OE2 GLU A 108 5.419 -4.369 -15.709 1.00 13.11 O ATOM 0 H GLU A 108 8.916 0.003 -16.332 1.00 53.34 H new ATOM 0 HA GLU A 108 6.669 -0.398 -18.106 1.00 43.32 H new ATOM 0 HB2 GLU A 108 7.501 -2.200 -16.631 1.00 24.11 H new ATOM 0 HB3 GLU A 108 7.317 -1.185 -15.214 1.00 24.11 H new ATOM 0 HG2 GLU A 108 4.850 -1.222 -15.480 1.00 32.51 H new ATOM 0 HG3 GLU A 108 5.005 -2.181 -16.938 1.00 32.51 H new ATOM 1607 N LYS A 109 4.849 1.088 -17.302 1.00 54.21 N ATOM 1608 CA LYS A 109 3.745 1.980 -16.906 1.00 42.43 C ATOM 1609 C LYS A 109 2.857 1.265 -15.855 1.00 40.24 C ATOM 1610 O LYS A 109 1.958 0.486 -16.191 1.00 1.12 O ATOM 1611 CB LYS A 109 2.916 2.443 -18.148 1.00 33.43 C ATOM 1612 CG LYS A 109 3.641 3.445 -19.094 1.00 73.13 C ATOM 1613 CD LYS A 109 4.894 2.854 -19.789 1.00 13.14 C ATOM 1614 CE LYS A 109 5.643 3.870 -20.668 1.00 41.21 C ATOM 1615 NZ LYS A 109 6.882 3.289 -21.253 1.00 12.24 N ATOM 0 H LYS A 109 4.686 0.607 -18.186 1.00 54.21 H new ATOM 0 HA LYS A 109 4.159 2.882 -16.455 1.00 42.43 H new ATOM 0 HB2 LYS A 109 2.634 1.562 -18.725 1.00 33.43 H new ATOM 0 HB3 LYS A 109 1.992 2.903 -17.797 1.00 33.43 H new ATOM 0 HG2 LYS A 109 2.939 3.783 -19.857 1.00 73.13 H new ATOM 0 HG3 LYS A 109 3.936 4.324 -18.520 1.00 73.13 H new ATOM 0 HD2 LYS A 109 5.575 2.471 -19.029 1.00 13.14 H new ATOM 0 HD3 LYS A 109 4.593 2.006 -20.404 1.00 13.14 H new ATOM 0 HE2 LYS A 109 4.987 4.210 -21.470 1.00 41.21 H new ATOM 0 HE3 LYS A 109 5.899 4.746 -20.073 1.00 41.21 H new ATOM 0 HZ1 LYS A 109 7.507 4.056 -21.575 1.00 12.24 H new ATOM 0 HZ2 LYS A 109 7.373 2.722 -20.533 1.00 12.24 H new ATOM 0 HZ3 LYS A 109 6.633 2.683 -22.061 1.00 12.24 H new ATOM 1629 N VAL A 110 3.163 1.526 -14.575 1.00 21.32 N ATOM 1630 CA VAL A 110 2.495 0.891 -13.424 1.00 24.54 C ATOM 1631 C VAL A 110 1.106 1.546 -13.198 1.00 34.10 C ATOM 1632 O VAL A 110 1.017 2.670 -12.699 1.00 55.55 O ATOM 1633 CB VAL A 110 3.389 1.005 -12.133 1.00 33.31 C ATOM 1634 CG1 VAL A 110 2.733 0.307 -10.914 1.00 72.42 C ATOM 1635 CG2 VAL A 110 4.817 0.448 -12.396 1.00 52.22 C ATOM 0 H VAL A 110 3.888 2.190 -14.305 1.00 21.32 H new ATOM 0 HA VAL A 110 2.351 -0.168 -13.636 1.00 24.54 H new ATOM 0 HB VAL A 110 3.476 2.064 -11.889 1.00 33.31 H new ATOM 0 HG11 VAL A 110 3.382 0.409 -10.044 1.00 72.42 H new ATOM 0 HG12 VAL A 110 1.769 0.771 -10.704 1.00 72.42 H new ATOM 0 HG13 VAL A 110 2.586 -0.750 -11.136 1.00 72.42 H new ATOM 0 HG21 VAL A 110 5.415 0.538 -11.489 1.00 52.22 H new ATOM 0 HG22 VAL A 110 4.751 -0.601 -12.685 1.00 52.22 H new ATOM 0 HG23 VAL A 110 5.287 1.016 -13.199 1.00 52.22 H new ATOM 1645 N LYS A 111 0.035 0.829 -13.589 1.00 45.50 N ATOM 1646 CA LYS A 111 -1.350 1.363 -13.604 1.00 15.50 C ATOM 1647 C LYS A 111 -2.152 0.905 -12.366 1.00 35.43 C ATOM 1648 O LYS A 111 -2.129 -0.276 -12.012 1.00 25.10 O ATOM 1649 CB LYS A 111 -2.066 0.921 -14.912 1.00 73.23 C ATOM 1650 CG LYS A 111 -1.452 1.523 -16.201 1.00 14.13 C ATOM 1651 CD LYS A 111 -1.621 3.057 -16.264 1.00 33.01 C ATOM 1652 CE LYS A 111 -0.909 3.709 -17.455 1.00 14.42 C ATOM 1653 NZ LYS A 111 -1.155 5.178 -17.512 1.00 24.44 N ATOM 0 H LYS A 111 0.101 -0.139 -13.905 1.00 45.50 H new ATOM 0 HA LYS A 111 -1.296 2.451 -13.570 1.00 15.50 H new ATOM 0 HB2 LYS A 111 -2.036 -0.166 -14.981 1.00 73.23 H new ATOM 0 HB3 LYS A 111 -3.116 1.208 -14.854 1.00 73.23 H new ATOM 0 HG2 LYS A 111 -0.392 1.273 -16.248 1.00 14.13 H new ATOM 0 HG3 LYS A 111 -1.925 1.071 -17.073 1.00 14.13 H new ATOM 0 HD2 LYS A 111 -2.684 3.294 -16.313 1.00 33.01 H new ATOM 0 HD3 LYS A 111 -1.239 3.494 -15.341 1.00 33.01 H new ATOM 0 HE2 LYS A 111 0.163 3.523 -17.384 1.00 14.42 H new ATOM 0 HE3 LYS A 111 -1.252 3.247 -18.381 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 -0.392 5.637 -18.049 1.00 24.44 H new ATOM 0 HZ2 LYS A 111 -2.066 5.360 -17.980 1.00 24.44 H new ATOM 0 HZ3 LYS A 111 -1.179 5.564 -16.546 1.00 24.44 H new ATOM 1667 N ASN A 112 -2.862 1.865 -11.728 1.00 45.43 N ATOM 1668 CA ASN A 112 -3.721 1.621 -10.533 1.00 20.31 C ATOM 1669 C ASN A 112 -2.906 1.089 -9.323 1.00 3.42 C ATOM 1670 O ASN A 112 -3.404 0.286 -8.522 1.00 41.24 O ATOM 1671 CB ASN A 112 -4.908 0.680 -10.886 1.00 30.10 C ATOM 1672 CG ASN A 112 -5.770 1.243 -12.014 1.00 44.24 C ATOM 1673 OD1 ASN A 112 -5.540 0.974 -13.187 1.00 50.43 O ATOM 1674 ND2 ASN A 112 -6.767 2.037 -11.675 1.00 51.01 N ATOM 0 H ASN A 112 -2.858 2.840 -12.026 1.00 45.43 H new ATOM 0 HA ASN A 112 -4.135 2.582 -10.228 1.00 20.31 H new ATOM 0 HB2 ASN A 112 -4.522 -0.297 -11.178 1.00 30.10 H new ATOM 0 HB3 ASN A 112 -5.525 0.527 -10.000 1.00 30.10 H new ATOM 0 HD21 ASN A 112 -7.365 2.441 -12.396 1.00 51.01 H new ATOM 0 HD22 ASN A 112 -6.940 2.247 -10.692 1.00 51.01 H new ATOM 1681 N HIS A 113 -1.663 1.589 -9.191 1.00 5.20 N ATOM 1682 CA HIS A 113 -0.755 1.254 -8.082 1.00 1.22 C ATOM 1683 C HIS A 113 -1.359 1.613 -6.701 1.00 5.21 C ATOM 1684 O HIS A 113 -1.819 2.736 -6.475 1.00 61.55 O ATOM 1685 CB HIS A 113 0.605 1.965 -8.270 1.00 1.12 C ATOM 1686 CG HIS A 113 1.592 1.640 -7.176 1.00 43.41 C ATOM 1687 ND1 HIS A 113 2.184 0.405 -7.106 1.00 63.11 N ATOM 1688 CD2 HIS A 113 1.966 2.368 -6.093 1.00 10.13 C ATOM 1689 CE1 HIS A 113 2.883 0.399 -5.990 1.00 12.20 C ATOM 1690 NE2 HIS A 113 2.784 1.567 -5.341 1.00 21.50 N ATOM 0 H HIS A 113 -1.258 2.244 -9.860 1.00 5.20 H new ATOM 0 HA HIS A 113 -0.606 0.174 -8.101 1.00 1.22 H new ATOM 0 HB2 HIS A 113 1.029 1.679 -9.232 1.00 1.12 H new ATOM 0 HB3 HIS A 113 0.445 3.043 -8.300 1.00 1.12 H new ATOM 0 HD2 HIS A 113 1.675 3.383 -5.868 1.00 10.13 H new ATOM 0 HE1 HIS A 113 3.464 -0.442 -5.641 1.00 12.20 H new ATOM 0 HE2 HIS A 113 3.231 1.812 -4.458 1.00 21.50 H new ATOM 1698 N LYS A 114 -1.327 0.633 -5.790 1.00 60.24 N ATOM 1699 CA LYS A 114 -1.917 0.742 -4.446 1.00 5.02 C ATOM 1700 C LYS A 114 -1.170 -0.183 -3.437 1.00 61.04 C ATOM 1701 O LYS A 114 -0.673 -1.236 -3.832 1.00 25.03 O ATOM 1702 CB LYS A 114 -3.426 0.368 -4.528 1.00 41.44 C ATOM 1703 CG LYS A 114 -3.704 -1.024 -5.146 1.00 44.35 C ATOM 1704 CD LYS A 114 -5.182 -1.462 -5.048 1.00 62.33 C ATOM 1705 CE LYS A 114 -6.147 -0.533 -5.798 1.00 15.03 C ATOM 1706 NZ LYS A 114 -7.537 -1.045 -5.761 1.00 64.31 N ATOM 0 H LYS A 114 -0.886 -0.270 -5.965 1.00 60.24 H new ATOM 0 HA LYS A 114 -1.816 1.766 -4.086 1.00 5.02 H new ATOM 0 HB2 LYS A 114 -3.851 0.399 -3.525 1.00 41.44 H new ATOM 0 HB3 LYS A 114 -3.944 1.124 -5.117 1.00 41.44 H new ATOM 0 HG2 LYS A 114 -3.406 -1.012 -6.194 1.00 44.35 H new ATOM 0 HG3 LYS A 114 -3.081 -1.765 -4.646 1.00 44.35 H new ATOM 0 HD2 LYS A 114 -5.280 -2.472 -5.445 1.00 62.33 H new ATOM 0 HD3 LYS A 114 -5.472 -1.503 -3.998 1.00 62.33 H new ATOM 0 HE2 LYS A 114 -6.113 0.462 -5.354 1.00 15.03 H new ATOM 0 HE3 LYS A 114 -5.824 -0.431 -6.834 1.00 15.03 H new ATOM 0 HZ1 LYS A 114 -8.161 -0.393 -6.277 1.00 64.31 H new ATOM 0 HZ2 LYS A 114 -7.573 -1.984 -6.207 1.00 64.31 H new ATOM 0 HZ3 LYS A 114 -7.854 -1.118 -4.773 1.00 64.31 H new ATOM 1720 N TRP A 115 -1.052 0.191 -2.132 1.00 50.50 N ATOM 1721 CA TRP A 115 -1.498 1.494 -1.566 1.00 52.21 C ATOM 1722 C TRP A 115 -0.297 2.396 -1.184 1.00 73.42 C ATOM 1723 O TRP A 115 0.698 1.932 -0.631 1.00 30.54 O ATOM 1724 CB TRP A 115 -2.413 1.277 -0.319 1.00 42.54 C ATOM 1725 CG TRP A 115 -3.708 0.562 -0.630 1.00 41.15 C ATOM 1726 CD1 TRP A 115 -4.039 -0.741 -0.349 1.00 11.41 C ATOM 1727 CD2 TRP A 115 -4.839 1.123 -1.302 1.00 60.05 C ATOM 1728 NE1 TRP A 115 -5.299 -1.014 -0.819 1.00 33.41 N ATOM 1729 CE2 TRP A 115 -5.809 0.112 -1.408 1.00 73.31 C ATOM 1730 CE3 TRP A 115 -5.121 2.389 -1.831 1.00 23.24 C ATOM 1731 CZ2 TRP A 115 -7.036 0.322 -2.028 1.00 13.45 C ATOM 1732 CZ3 TRP A 115 -6.338 2.597 -2.441 1.00 22.20 C ATOM 1733 CH2 TRP A 115 -7.286 1.569 -2.533 1.00 25.42 C ATOM 0 H TRP A 115 -0.635 -0.420 -1.430 1.00 50.50 H new ATOM 0 HA TRP A 115 -2.070 2.000 -2.344 1.00 52.21 H new ATOM 0 HB2 TRP A 115 -1.863 0.705 0.428 1.00 42.54 H new ATOM 0 HB3 TRP A 115 -2.641 2.246 0.126 1.00 42.54 H new ATOM 0 HD1 TRP A 115 -3.402 -1.446 0.165 1.00 11.41 H new ATOM 0 HE1 TRP A 115 -5.778 -1.911 -0.742 1.00 33.41 H new ATOM 0 HE3 TRP A 115 -4.397 3.187 -1.762 1.00 23.24 H new ATOM 0 HZ2 TRP A 115 -7.765 -0.471 -2.108 1.00 13.45 H new ATOM 0 HZ3 TRP A 115 -6.566 3.568 -2.855 1.00 22.20 H new ATOM 0 HH2 TRP A 115 -8.234 1.765 -3.012 1.00 25.42 H new ATOM 1744 N VAL A 116 -0.431 3.692 -1.498 1.00 72.12 N ATOM 1745 CA VAL A 116 0.495 4.766 -1.050 1.00 43.03 C ATOM 1746 C VAL A 116 -0.299 5.796 -0.219 1.00 2.02 C ATOM 1747 O VAL A 116 -1.507 5.692 -0.118 1.00 13.32 O ATOM 1748 CB VAL A 116 1.223 5.482 -2.259 1.00 62.25 C ATOM 1749 CG1 VAL A 116 2.169 4.508 -3.009 1.00 4.25 C ATOM 1750 CG2 VAL A 116 0.203 6.130 -3.231 1.00 63.11 C ATOM 0 H VAL A 116 -1.194 4.039 -2.079 1.00 72.12 H new ATOM 0 HA VAL A 116 1.276 4.308 -0.443 1.00 43.03 H new ATOM 0 HB VAL A 116 1.836 6.281 -1.841 1.00 62.25 H new ATOM 0 HG11 VAL A 116 2.652 5.033 -3.833 1.00 4.25 H new ATOM 0 HG12 VAL A 116 2.928 4.136 -2.321 1.00 4.25 H new ATOM 0 HG13 VAL A 116 1.592 3.670 -3.401 1.00 4.25 H new ATOM 0 HG21 VAL A 116 0.737 6.613 -4.050 1.00 63.11 H new ATOM 0 HG22 VAL A 116 -0.457 5.361 -3.632 1.00 63.11 H new ATOM 0 HG23 VAL A 116 -0.389 6.873 -2.696 1.00 63.11 H new ATOM 1760 N THR A 117 0.386 6.761 0.407 1.00 13.24 N ATOM 1761 CA THR A 117 -0.266 7.873 1.165 1.00 15.12 C ATOM 1762 C THR A 117 0.085 9.239 0.551 1.00 10.21 C ATOM 1763 O THR A 117 0.855 9.316 -0.418 1.00 13.22 O ATOM 1764 CB THR A 117 0.124 7.890 2.692 1.00 14.22 C ATOM 1765 OG1 THR A 117 1.504 8.283 2.867 1.00 10.42 O ATOM 1766 CG2 THR A 117 -0.121 6.523 3.355 1.00 61.30 C ATOM 0 H THR A 117 1.405 6.807 0.411 1.00 13.24 H new ATOM 0 HA THR A 117 -1.338 7.690 1.091 1.00 15.12 H new ATOM 0 HB THR A 117 -0.517 8.624 3.180 1.00 14.22 H new ATOM 0 HG1 THR A 117 1.724 8.288 3.822 1.00 10.42 H new ATOM 0 HG21 THR A 117 0.159 6.573 4.407 1.00 61.30 H new ATOM 0 HG22 THR A 117 -1.176 6.263 3.273 1.00 61.30 H new ATOM 0 HG23 THR A 117 0.480 5.763 2.855 1.00 61.30 H new ATOM 1774 N GLU A 118 -0.477 10.325 1.128 1.00 45.22 N ATOM 1775 CA GLU A 118 -0.131 11.708 0.725 1.00 2.22 C ATOM 1776 C GLU A 118 1.331 12.057 1.101 1.00 74.51 C ATOM 1777 O GLU A 118 1.971 12.867 0.432 1.00 24.22 O ATOM 1778 CB GLU A 118 -1.123 12.727 1.359 1.00 51.05 C ATOM 1779 CG GLU A 118 -0.995 14.164 0.796 1.00 21.13 C ATOM 1780 CD GLU A 118 -2.124 15.117 1.229 1.00 22.33 C ATOM 1781 OE1 GLU A 118 -3.290 14.883 0.842 1.00 4.22 O ATOM 1782 OE2 GLU A 118 -1.849 16.123 1.917 1.00 42.21 O ATOM 0 H GLU A 118 -1.171 10.271 1.873 1.00 45.22 H new ATOM 0 HA GLU A 118 -0.217 11.771 -0.360 1.00 2.22 H new ATOM 0 HB2 GLU A 118 -2.142 12.374 1.199 1.00 51.05 H new ATOM 0 HB3 GLU A 118 -0.961 12.754 2.437 1.00 51.05 H new ATOM 0 HG2 GLU A 118 -0.040 14.583 1.114 1.00 21.13 H new ATOM 0 HG3 GLU A 118 -0.975 14.115 -0.293 1.00 21.13 H new ATOM 1789 N ASP A 119 1.859 11.417 2.165 1.00 35.12 N ATOM 1790 CA ASP A 119 3.248 11.639 2.631 1.00 65.22 C ATOM 1791 C ASP A 119 4.273 10.799 1.812 1.00 55.12 C ATOM 1792 O ASP A 119 5.484 11.066 1.855 1.00 72.04 O ATOM 1793 CB ASP A 119 3.355 11.338 4.148 1.00 24.24 C ATOM 1794 CG ASP A 119 4.656 11.876 4.769 1.00 31.21 C ATOM 1795 OD1 ASP A 119 4.788 13.117 4.899 1.00 34.42 O ATOM 1796 OD2 ASP A 119 5.552 11.082 5.124 1.00 60.42 O ATOM 0 H ASP A 119 1.342 10.737 2.722 1.00 35.12 H new ATOM 0 HA ASP A 119 3.498 12.687 2.467 1.00 65.22 H new ATOM 0 HB2 ASP A 119 2.502 11.779 4.663 1.00 24.24 H new ATOM 0 HB3 ASP A 119 3.300 10.261 4.305 1.00 24.24 H new ATOM 1801 N GLU A 120 3.789 9.788 1.054 1.00 43.03 N ATOM 1802 CA GLU A 120 4.640 9.044 0.088 1.00 43.13 C ATOM 1803 C GLU A 120 4.776 9.840 -1.239 1.00 32.33 C ATOM 1804 O GLU A 120 5.708 9.625 -2.022 1.00 54.13 O ATOM 1805 CB GLU A 120 4.079 7.619 -0.203 1.00 51.12 C ATOM 1806 CG GLU A 120 3.679 6.772 1.032 1.00 70.42 C ATOM 1807 CD GLU A 120 4.777 6.576 2.097 1.00 12.21 C ATOM 1808 OE1 GLU A 120 4.935 7.453 2.981 1.00 63.14 O ATOM 1809 OE2 GLU A 120 5.453 5.527 2.085 1.00 13.42 O ATOM 0 H GLU A 120 2.821 9.468 1.090 1.00 43.03 H new ATOM 0 HA GLU A 120 5.624 8.929 0.544 1.00 43.13 H new ATOM 0 HB2 GLU A 120 3.205 7.720 -0.846 1.00 51.12 H new ATOM 0 HB3 GLU A 120 4.828 7.066 -0.769 1.00 51.12 H new ATOM 0 HG2 GLU A 120 2.818 7.242 1.508 1.00 70.42 H new ATOM 0 HG3 GLU A 120 3.356 5.790 0.686 1.00 70.42 H new ATOM 1816 N LEU A 121 3.848 10.796 -1.458 1.00 21.14 N ATOM 1817 CA LEU A 121 3.748 11.580 -2.705 1.00 52.53 C ATOM 1818 C LEU A 121 4.041 13.075 -2.433 1.00 10.55 C ATOM 1819 O LEU A 121 3.929 13.556 -1.305 1.00 75.30 O ATOM 1820 CB LEU A 121 2.315 11.436 -3.306 1.00 25.21 C ATOM 1821 CG LEU A 121 1.838 9.983 -3.634 1.00 64.10 C ATOM 1822 CD1 LEU A 121 0.384 9.979 -4.165 1.00 22.45 C ATOM 1823 CD2 LEU A 121 2.799 9.290 -4.628 1.00 13.34 C ATOM 0 H LEU A 121 3.141 11.047 -0.767 1.00 21.14 H new ATOM 0 HA LEU A 121 4.484 11.198 -3.412 1.00 52.53 H new ATOM 0 HB2 LEU A 121 1.606 11.878 -2.606 1.00 25.21 H new ATOM 0 HB3 LEU A 121 2.268 12.025 -4.222 1.00 25.21 H new ATOM 0 HG LEU A 121 1.853 9.411 -2.706 1.00 64.10 H new ATOM 0 HD11 LEU A 121 0.080 8.956 -4.385 1.00 22.45 H new ATOM 0 HD12 LEU A 121 -0.280 10.401 -3.411 1.00 22.45 H new ATOM 0 HD13 LEU A 121 0.327 10.577 -5.074 1.00 22.45 H new ATOM 0 HD21 LEU A 121 2.441 8.282 -4.837 1.00 13.34 H new ATOM 0 HD22 LEU A 121 2.837 9.861 -5.556 1.00 13.34 H new ATOM 0 HD23 LEU A 121 3.797 9.238 -4.193 1.00 13.34 H new ATOM 1835 N SER A 122 4.403 13.798 -3.485 1.00 24.42 N ATOM 1836 CA SER A 122 4.588 15.269 -3.453 1.00 60.30 C ATOM 1837 C SER A 122 3.970 15.851 -4.724 1.00 1.24 C ATOM 1838 O SER A 122 4.137 15.265 -5.782 1.00 43.34 O ATOM 1839 CB SER A 122 6.091 15.639 -3.387 1.00 1.42 C ATOM 1840 OG SER A 122 6.701 15.130 -2.216 1.00 43.41 O ATOM 0 H SER A 122 4.582 13.388 -4.402 1.00 24.42 H new ATOM 0 HA SER A 122 4.105 15.677 -2.565 1.00 60.30 H new ATOM 0 HB2 SER A 122 6.602 15.245 -4.265 1.00 1.42 H new ATOM 0 HB3 SER A 122 6.201 16.723 -3.414 1.00 1.42 H new ATOM 0 HG SER A 122 7.649 15.379 -2.206 1.00 43.41 H new ATOM 1846 N ALA A 123 3.251 16.983 -4.633 1.00 63.44 N ATOM 1847 CA ALA A 123 2.682 17.656 -5.831 1.00 21.42 C ATOM 1848 C ALA A 123 3.789 18.016 -6.860 1.00 54.13 C ATOM 1849 O ALA A 123 4.964 18.104 -6.497 1.00 3.34 O ATOM 1850 CB ALA A 123 1.878 18.897 -5.417 1.00 12.42 C ATOM 0 H ALA A 123 3.047 17.455 -3.752 1.00 63.44 H new ATOM 0 HA ALA A 123 2.003 16.958 -6.321 1.00 21.42 H new ATOM 0 HB1 ALA A 123 1.468 19.378 -6.305 1.00 12.42 H new ATOM 0 HB2 ALA A 123 1.063 18.599 -4.757 1.00 12.42 H new ATOM 0 HB3 ALA A 123 2.531 19.596 -4.894 1.00 12.42 H new ATOM 1856 N LYS A 124 3.407 18.201 -8.140 1.00 64.45 N ATOM 1857 CA LYS A 124 4.369 18.512 -9.236 1.00 61.05 C ATOM 1858 C LYS A 124 5.255 19.757 -8.903 1.00 63.34 C ATOM 1859 O LYS A 124 6.437 19.809 -9.260 1.00 30.35 O ATOM 1860 CB LYS A 124 3.579 18.711 -10.555 1.00 61.22 C ATOM 1861 CG LYS A 124 4.424 18.958 -11.824 1.00 60.10 C ATOM 1862 CD LYS A 124 5.350 17.771 -12.174 1.00 2.01 C ATOM 1863 CE LYS A 124 6.090 17.972 -13.507 1.00 55.32 C ATOM 1864 NZ LYS A 124 5.157 18.025 -14.668 1.00 22.52 N ATOM 0 H LYS A 124 2.437 18.142 -8.449 1.00 64.45 H new ATOM 0 HA LYS A 124 5.057 17.674 -9.350 1.00 61.05 H new ATOM 0 HB2 LYS A 124 2.961 17.829 -10.721 1.00 61.22 H new ATOM 0 HB3 LYS A 124 2.901 19.555 -10.425 1.00 61.22 H new ATOM 0 HG2 LYS A 124 3.758 19.152 -12.665 1.00 60.10 H new ATOM 0 HG3 LYS A 124 5.029 19.854 -11.682 1.00 60.10 H new ATOM 0 HD2 LYS A 124 6.079 17.635 -11.375 1.00 2.01 H new ATOM 0 HD3 LYS A 124 4.759 16.857 -12.225 1.00 2.01 H new ATOM 0 HE2 LYS A 124 6.667 18.896 -13.464 1.00 55.32 H new ATOM 0 HE3 LYS A 124 6.801 17.159 -13.652 1.00 55.32 H new ATOM 0 HZ1 LYS A 124 5.700 18.162 -15.544 1.00 22.52 H new ATOM 0 HZ2 LYS A 124 4.624 17.134 -14.726 1.00 22.52 H new ATOM 0 HZ3 LYS A 124 4.494 18.817 -14.545 1.00 22.52 H new ATOM 1878 N LEU A 125 4.660 20.735 -8.193 1.00 53.43 N ATOM 1879 CA LEU A 125 5.393 21.877 -7.590 1.00 50.10 C ATOM 1880 C LEU A 125 6.162 21.440 -6.309 1.00 52.33 C ATOM 1881 O LEU A 125 7.355 21.722 -6.161 1.00 60.52 O ATOM 1882 CB LEU A 125 4.397 23.017 -7.226 1.00 72.44 C ATOM 1883 CG LEU A 125 5.005 24.268 -6.499 1.00 64.40 C ATOM 1884 CD1 LEU A 125 5.962 25.062 -7.420 1.00 4.10 C ATOM 1885 CD2 LEU A 125 3.893 25.172 -5.917 1.00 62.23 C ATOM 0 H LEU A 125 3.655 20.760 -8.018 1.00 53.43 H new ATOM 0 HA LEU A 125 6.115 22.235 -8.324 1.00 50.10 H new ATOM 0 HB2 LEU A 125 3.915 23.355 -8.143 1.00 72.44 H new ATOM 0 HB3 LEU A 125 3.616 22.599 -6.591 1.00 72.44 H new ATOM 0 HG LEU A 125 5.602 23.900 -5.664 1.00 64.40 H new ATOM 0 HD11 LEU A 125 6.361 25.919 -6.878 1.00 4.10 H new ATOM 0 HD12 LEU A 125 6.783 24.417 -7.734 1.00 4.10 H new ATOM 0 HD13 LEU A 125 5.417 25.409 -8.298 1.00 4.10 H new ATOM 0 HD21 LEU A 125 4.345 26.030 -5.420 1.00 62.23 H new ATOM 0 HD22 LEU A 125 3.247 25.519 -6.723 1.00 62.23 H new ATOM 0 HD23 LEU A 125 3.303 24.605 -5.197 1.00 62.23 H new ATOM 1897 N GLU A 126 5.444 20.745 -5.400 1.00 74.41 N ATOM 1898 CA GLU A 126 5.935 20.402 -4.039 1.00 13.43 C ATOM 1899 C GLU A 126 7.160 19.446 -4.053 1.00 3.14 C ATOM 1900 O GLU A 126 7.247 18.523 -4.874 1.00 51.53 O ATOM 1901 CB GLU A 126 4.782 19.778 -3.193 1.00 50.30 C ATOM 1902 CG GLU A 126 5.148 19.351 -1.745 1.00 25.41 C ATOM 1903 CD GLU A 126 5.489 20.528 -0.806 1.00 24.24 C ATOM 1904 OE1 GLU A 126 6.545 21.176 -0.989 1.00 22.24 O ATOM 1905 OE2 GLU A 126 4.711 20.808 0.129 1.00 50.05 O ATOM 0 H GLU A 126 4.502 20.402 -5.587 1.00 74.41 H new ATOM 0 HA GLU A 126 6.269 21.335 -3.585 1.00 13.43 H new ATOM 0 HB2 GLU A 126 3.966 20.499 -3.142 1.00 50.30 H new ATOM 0 HB3 GLU A 126 4.403 18.904 -3.723 1.00 50.30 H new ATOM 0 HG2 GLU A 126 4.314 18.792 -1.321 1.00 25.41 H new ATOM 0 HG3 GLU A 126 6.000 18.672 -1.783 1.00 25.41 H new ATOM 1912 N HIS A 127 8.093 19.678 -3.108 1.00 24.14 N ATOM 1913 CA HIS A 127 9.318 18.873 -2.962 1.00 75.32 C ATOM 1914 C HIS A 127 9.887 19.004 -1.521 1.00 23.21 C ATOM 1915 O HIS A 127 10.446 20.043 -1.159 1.00 13.20 O ATOM 1916 CB HIS A 127 10.363 19.317 -4.027 1.00 62.34 C ATOM 1917 CG HIS A 127 11.585 18.438 -4.115 1.00 12.43 C ATOM 1918 ND1 HIS A 127 12.808 18.782 -3.577 1.00 2.41 N ATOM 1919 CD2 HIS A 127 11.768 17.229 -4.700 1.00 45.32 C ATOM 1920 CE1 HIS A 127 13.680 17.834 -3.826 1.00 51.42 C ATOM 1921 NE2 HIS A 127 13.081 16.878 -4.506 1.00 30.13 N ATOM 0 H HIS A 127 8.016 20.431 -2.424 1.00 24.14 H new ATOM 0 HA HIS A 127 9.082 17.822 -3.127 1.00 75.32 H new ATOM 0 HB2 HIS A 127 9.879 19.342 -5.003 1.00 62.34 H new ATOM 0 HB3 HIS A 127 10.680 20.335 -3.803 1.00 62.34 H new ATOM 0 HD2 HIS A 127 11.020 16.650 -5.221 1.00 45.32 H new ATOM 0 HE1 HIS A 127 14.717 17.837 -3.524 1.00 51.42 H new ATOM 0 HE2 HIS A 127 13.521 16.018 -4.834 1.00 30.13 H new ATOM 1930 N HIS A 128 9.690 17.962 -0.687 1.00 13.14 N ATOM 1931 CA HIS A 128 10.310 17.858 0.663 1.00 24.10 C ATOM 1932 C HIS A 128 10.818 16.416 0.916 1.00 34.45 C ATOM 1933 O HIS A 128 10.039 15.537 1.296 1.00 52.14 O ATOM 1934 CB HIS A 128 9.319 18.297 1.785 1.00 53.21 C ATOM 1935 CG HIS A 128 9.189 19.789 1.967 1.00 45.34 C ATOM 1936 ND1 HIS A 128 8.268 20.561 1.294 1.00 41.44 N ATOM 1937 CD2 HIS A 128 9.875 20.649 2.763 1.00 5.12 C ATOM 1938 CE1 HIS A 128 8.387 21.817 1.666 1.00 60.33 C ATOM 1939 NE2 HIS A 128 9.351 21.901 2.558 1.00 40.41 N ATOM 0 H HIS A 128 9.098 17.166 -0.924 1.00 13.14 H new ATOM 0 HA HIS A 128 11.161 18.539 0.691 1.00 24.10 H new ATOM 0 HB2 HIS A 128 8.335 17.885 1.562 1.00 53.21 H new ATOM 0 HB3 HIS A 128 9.642 17.857 2.728 1.00 53.21 H new ATOM 0 HD1 HIS A 128 7.596 20.212 0.611 1.00 41.44 H new ATOM 0 HD2 HIS A 128 10.683 20.395 3.433 1.00 5.12 H new ATOM 0 HE1 HIS A 128 7.793 22.642 1.301 1.00 60.33 H new ATOM 1948 N HIS A 129 12.135 16.192 0.704 1.00 71.21 N ATOM 1949 CA HIS A 129 12.759 14.858 0.888 1.00 4.53 C ATOM 1950 C HIS A 129 12.810 14.477 2.394 1.00 23.33 C ATOM 1951 O HIS A 129 13.291 15.252 3.227 1.00 65.32 O ATOM 1952 CB HIS A 129 14.172 14.801 0.228 1.00 41.14 C ATOM 1953 CG HIS A 129 15.239 15.674 0.856 1.00 62.12 C ATOM 1954 ND1 HIS A 129 15.419 17.004 0.534 1.00 23.02 N ATOM 1955 CD2 HIS A 129 16.198 15.390 1.779 1.00 51.11 C ATOM 1956 CE1 HIS A 129 16.429 17.492 1.223 1.00 55.32 C ATOM 1957 NE2 HIS A 129 16.917 16.538 1.985 1.00 55.02 N ATOM 0 H HIS A 129 12.788 16.917 0.405 1.00 71.21 H new ATOM 0 HA HIS A 129 12.138 14.118 0.382 1.00 4.53 H new ATOM 0 HB2 HIS A 129 14.519 13.768 0.249 1.00 41.14 H new ATOM 0 HB3 HIS A 129 14.072 15.082 -0.820 1.00 41.14 H new ATOM 0 HD2 HIS A 129 16.362 14.437 2.260 1.00 51.11 H new ATOM 0 HE1 HIS A 129 16.796 18.507 1.171 1.00 55.32 H new ATOM 0 HE2 HIS A 129 17.704 16.637 2.626 1.00 55.02 H new ATOM 1966 N HIS A 130 12.282 13.286 2.737 1.00 23.04 N ATOM 1967 CA HIS A 130 12.222 12.812 4.146 1.00 33.30 C ATOM 1968 C HIS A 130 12.361 11.271 4.269 1.00 42.11 C ATOM 1969 O HIS A 130 12.389 10.744 5.383 1.00 72.25 O ATOM 1970 CB HIS A 130 10.924 13.324 4.831 1.00 72.45 C ATOM 1971 CG HIS A 130 9.628 12.974 4.136 1.00 74.23 C ATOM 1972 ND1 HIS A 130 8.847 13.909 3.498 1.00 23.23 N ATOM 1973 CD2 HIS A 130 8.949 11.803 4.038 1.00 50.22 C ATOM 1974 CE1 HIS A 130 7.758 13.336 3.044 1.00 43.14 C ATOM 1975 NE2 HIS A 130 7.787 12.060 3.357 1.00 33.50 N ATOM 0 H HIS A 130 11.889 12.630 2.062 1.00 23.04 H new ATOM 0 HA HIS A 130 13.082 13.233 4.667 1.00 33.30 H new ATOM 0 HB2 HIS A 130 10.889 12.925 5.845 1.00 72.45 H new ATOM 0 HB3 HIS A 130 10.986 14.409 4.918 1.00 72.45 H new ATOM 0 HD2 HIS A 130 9.265 10.846 4.425 1.00 50.22 H new ATOM 0 HE1 HIS A 130 6.967 13.832 2.502 1.00 43.14 H new ATOM 0 HE2 HIS A 130 7.066 11.375 3.131 1.00 33.50 H new ATOM 1984 N HIS A 131 12.462 10.577 3.115 1.00 61.24 N ATOM 1985 CA HIS A 131 12.617 9.099 3.032 1.00 71.30 C ATOM 1986 C HIS A 131 13.051 8.674 1.601 1.00 64.22 C ATOM 1987 O HIS A 131 13.016 9.472 0.650 1.00 54.24 O ATOM 1988 CB HIS A 131 11.298 8.347 3.435 1.00 21.21 C ATOM 1989 CG HIS A 131 11.212 7.911 4.880 1.00 34.44 C ATOM 1990 ND1 HIS A 131 10.461 8.570 5.833 1.00 13.13 N ATOM 1991 CD2 HIS A 131 11.772 6.855 5.518 1.00 63.11 C ATOM 1992 CE1 HIS A 131 10.556 7.935 6.982 1.00 64.41 C ATOM 1993 NE2 HIS A 131 11.346 6.894 6.819 1.00 33.11 N ATOM 0 H HIS A 131 12.438 11.028 2.201 1.00 61.24 H new ATOM 0 HA HIS A 131 13.394 8.817 3.743 1.00 71.30 H new ATOM 0 HB2 HIS A 131 10.450 8.997 3.219 1.00 21.21 H new ATOM 0 HB3 HIS A 131 11.195 7.466 2.801 1.00 21.21 H new ATOM 0 HD2 HIS A 131 12.432 6.119 5.082 1.00 63.11 H new ATOM 0 HE1 HIS A 131 10.069 8.220 7.903 1.00 64.41 H new ATOM 0 HE2 HIS A 131 11.600 6.224 7.545 1.00 33.11 H new ATOM 2002 N HIS A 132 13.471 7.401 1.480 1.00 4.43 N ATOM 2003 CA HIS A 132 13.798 6.756 0.187 1.00 34.33 C ATOM 2004 C HIS A 132 12.501 6.228 -0.504 1.00 63.11 C ATOM 2005 O HIS A 132 11.916 5.234 -0.011 1.00 39.06 O ATOM 2006 CB HIS A 132 14.824 5.606 0.420 1.00 51.31 C ATOM 2007 CG HIS A 132 15.264 4.898 -0.839 1.00 35.12 C ATOM 2008 ND1 HIS A 132 14.528 3.885 -1.424 1.00 63.40 N ATOM 2009 CD2 HIS A 132 16.361 5.056 -1.620 1.00 2.33 C ATOM 2010 CE1 HIS A 132 15.148 3.454 -2.503 1.00 63.54 C ATOM 2011 NE2 HIS A 132 16.258 4.148 -2.647 1.00 55.13 N ATOM 2012 OXT HIS A 132 12.091 6.796 -1.535 1.00 39.06 O ATOM 0 H HIS A 132 13.595 6.783 2.282 1.00 4.43 H new ATOM 0 HA HIS A 132 14.249 7.492 -0.479 1.00 34.33 H new ATOM 0 HB2 HIS A 132 15.703 6.015 0.918 1.00 51.31 H new ATOM 0 HB3 HIS A 132 14.384 4.875 1.099 1.00 51.31 H new ATOM 0 HD2 HIS A 132 17.164 5.762 -1.465 1.00 2.33 H new ATOM 0 HE1 HIS A 132 14.805 2.666 -3.158 1.00 63.54 H new ATOM 0 HE2 HIS A 132 16.934 4.030 -3.401 1.00 55.13 H new TER 2021 HIS A 132