USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1158 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 64:sc= 1.04 USER MOD Set 1.2: A 100 GLN : amide:sc= 0 K(o=1.1,f=-0.79!) USER MOD Set 1.3: A 102 TYR OH : rot 108:sc= 0.0849 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.224 K(o=0.59,f=-6.2!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 178:sc= 0.817 (180deg=0.464) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.176 K(o=-0.13,f=-1.2) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.308 K(o=-0.13,f=-4.4!) USER MOD Set 4.1: A 9 THR OG1 : rot 122:sc= 0.731 USER MOD Set 4.2: A 11 ASN : amide:sc= 0.251 X(o=-1.3,f=-1.8) USER MOD Set 4.3: A 83 GLN : amide:sc= -2.29 K(o=-1.3,f=-4.7!) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.734 (180deg=-0.921) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.0207 (180deg=-1.53!) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= 1.44 (180deg=0.534) USER MOD Single : A 10 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.17) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 1.4 (180deg=1.38) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0621) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= 0.0346 (180deg=-0.201) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 69:sc= 0.342 USER MOD Single : A 28 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.63) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0877) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 0.139 (180deg=0.000688) USER MOD Single : A 42 MET CE :methyl 139:sc= -2.56! (180deg=-4.78!) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00559) USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= 0.909 (180deg=0.189) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.0413 (180deg=-1.16) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= -0.148 (180deg=-0.302) USER MOD Single : A 58 SER OG : rot -86:sc= 0.167 USER MOD Single : A 62 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.28) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -132:sc= -1.41 (180deg=-2.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -158:sc= -0.293 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 94 LYS NZ :NH3+ -115:sc= 1.05 (180deg=-0.087) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.101) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -136:sc= -0.195 (180deg=-1.76!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 169:sc= 0.765 (180deg=0.685) USER MOD Single : A 121 MET CE :methyl -178:sc= -1.97 (180deg=-2.1) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 79:sc= 0.5 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 130 HIS : no HE2:sc= -0.888 X(o=-0.89,f=-0.6) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 134 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.838 7.139 16.411 1.00 31.12 N ATOM 2 CA MET A 1 3.633 7.102 15.165 1.00 65.33 C ATOM 3 C MET A 1 3.331 5.789 14.404 1.00 13.12 C ATOM 4 O MET A 1 3.975 4.763 14.649 1.00 23.45 O ATOM 5 CB MET A 1 5.163 7.244 15.485 1.00 64.11 C ATOM 6 CG MET A 1 5.950 8.080 14.464 1.00 13.24 C ATOM 7 SD MET A 1 5.797 7.480 12.771 1.00 52.42 S ATOM 8 CE MET A 1 6.687 8.754 11.875 1.00 43.44 C ATOM 0 H1 MET A 1 2.493 8.106 16.574 1.00 31.12 H new ATOM 0 H2 MET A 1 2.028 6.492 16.325 1.00 31.12 H new ATOM 0 H3 MET A 1 3.433 6.844 17.211 1.00 31.12 H new ATOM 0 HA MET A 1 3.356 7.943 14.529 1.00 65.33 H new ATOM 0 HB2 MET A 1 5.275 7.696 16.470 1.00 64.11 H new ATOM 0 HB3 MET A 1 5.604 6.249 15.539 1.00 64.11 H new ATOM 0 HG2 MET A 1 5.603 9.112 14.508 1.00 13.24 H new ATOM 0 HG3 MET A 1 7.003 8.085 14.745 1.00 13.24 H new ATOM 0 HE1 MET A 1 6.502 8.644 10.806 1.00 43.44 H new ATOM 0 HE2 MET A 1 6.345 9.736 12.203 1.00 43.44 H new ATOM 0 HE3 MET A 1 7.755 8.658 12.071 1.00 43.44 H new ATOM 20 N LYS A 2 2.299 5.808 13.538 1.00 34.11 N ATOM 21 CA LYS A 2 1.976 4.681 12.641 1.00 41.41 C ATOM 22 C LYS A 2 2.203 5.106 11.185 1.00 14.32 C ATOM 23 O LYS A 2 1.542 6.027 10.697 1.00 74.11 O ATOM 24 CB LYS A 2 0.506 4.197 12.813 1.00 15.31 C ATOM 25 CG LYS A 2 0.209 3.389 14.095 1.00 41.43 C ATOM 26 CD LYS A 2 -1.288 2.984 14.184 1.00 74.04 C ATOM 27 CE LYS A 2 -1.574 1.965 15.296 1.00 71.55 C ATOM 28 NZ LYS A 2 -0.952 0.644 15.008 1.00 45.22 N ATOM 0 H LYS A 2 1.667 6.603 13.441 1.00 34.11 H new ATOM 0 HA LYS A 2 2.632 3.851 12.904 1.00 41.41 H new ATOM 0 HB2 LYS A 2 -0.148 5.069 12.796 1.00 15.31 H new ATOM 0 HB3 LYS A 2 0.242 3.584 11.951 1.00 15.31 H new ATOM 0 HG2 LYS A 2 0.830 2.493 14.113 1.00 41.43 H new ATOM 0 HG3 LYS A 2 0.478 3.981 14.969 1.00 41.43 H new ATOM 0 HD2 LYS A 2 -1.890 3.877 14.355 1.00 74.04 H new ATOM 0 HD3 LYS A 2 -1.602 2.566 13.228 1.00 74.04 H new ATOM 0 HE2 LYS A 2 -1.195 2.346 16.244 1.00 71.55 H new ATOM 0 HE3 LYS A 2 -2.651 1.843 15.409 1.00 71.55 H new ATOM 0 HZ1 LYS A 2 -1.488 -0.105 15.491 1.00 45.22 H new ATOM 0 HZ2 LYS A 2 -0.963 0.471 13.983 1.00 45.22 H new ATOM 0 HZ3 LYS A 2 0.031 0.641 15.349 1.00 45.22 H new ATOM 42 N ILE A 3 3.145 4.440 10.509 1.00 14.41 N ATOM 43 CA ILE A 3 3.393 4.636 9.073 1.00 72.40 C ATOM 44 C ILE A 3 2.786 3.450 8.324 1.00 54.33 C ATOM 45 O ILE A 3 3.139 2.299 8.598 1.00 40.32 O ATOM 46 CB ILE A 3 4.928 4.723 8.758 1.00 4.13 C ATOM 47 CG1 ILE A 3 5.598 5.814 9.644 1.00 22.25 C ATOM 48 CG2 ILE A 3 5.171 4.999 7.251 1.00 63.43 C ATOM 49 CD1 ILE A 3 7.111 5.852 9.581 1.00 33.04 C ATOM 0 H ILE A 3 3.759 3.749 10.941 1.00 14.41 H new ATOM 0 HA ILE A 3 2.939 5.576 8.758 1.00 72.40 H new ATOM 0 HB ILE A 3 5.385 3.762 8.994 1.00 4.13 H new ATOM 0 HG12 ILE A 3 5.213 6.789 9.346 1.00 22.25 H new ATOM 0 HG13 ILE A 3 5.297 5.655 10.679 1.00 22.25 H new ATOM 0 HG21 ILE A 3 6.243 5.055 7.059 1.00 63.43 H new ATOM 0 HG22 ILE A 3 4.738 4.193 6.659 1.00 63.43 H new ATOM 0 HG23 ILE A 3 4.703 5.944 6.974 1.00 63.43 H new ATOM 0 HD11 ILE A 3 7.482 6.644 10.231 1.00 33.04 H new ATOM 0 HD12 ILE A 3 7.513 4.894 9.910 1.00 33.04 H new ATOM 0 HD13 ILE A 3 7.428 6.046 8.556 1.00 33.04 H new ATOM 61 N LEU A 4 1.862 3.726 7.395 1.00 33.20 N ATOM 62 CA LEU A 4 1.153 2.680 6.653 1.00 42.24 C ATOM 63 C LEU A 4 1.688 2.629 5.218 1.00 21.21 C ATOM 64 O LEU A 4 1.436 3.536 4.427 1.00 2.12 O ATOM 65 CB LEU A 4 -0.377 2.957 6.689 1.00 75.45 C ATOM 66 CG LEU A 4 -0.991 3.149 8.121 1.00 51.15 C ATOM 67 CD1 LEU A 4 -2.494 3.453 8.060 1.00 54.23 C ATOM 68 CD2 LEU A 4 -0.718 1.927 9.024 1.00 74.53 C ATOM 0 H LEU A 4 1.587 4.674 7.139 1.00 33.20 H new ATOM 0 HA LEU A 4 1.324 1.707 7.114 1.00 42.24 H new ATOM 0 HB2 LEU A 4 -0.581 3.852 6.101 1.00 75.45 H new ATOM 0 HB3 LEU A 4 -0.891 2.130 6.199 1.00 75.45 H new ATOM 0 HG LEU A 4 -0.495 4.013 8.564 1.00 51.15 H new ATOM 0 HD11 LEU A 4 -2.881 3.579 9.071 1.00 54.23 H new ATOM 0 HD12 LEU A 4 -2.657 4.369 7.492 1.00 54.23 H new ATOM 0 HD13 LEU A 4 -3.013 2.627 7.573 1.00 54.23 H new ATOM 0 HD21 LEU A 4 -1.158 2.096 10.007 1.00 74.53 H new ATOM 0 HD22 LEU A 4 -1.161 1.037 8.576 1.00 74.53 H new ATOM 0 HD23 LEU A 4 0.358 1.784 9.127 1.00 74.53 H new ATOM 80 N ILE A 5 2.459 1.579 4.894 1.00 42.03 N ATOM 81 CA ILE A 5 2.946 1.351 3.530 1.00 43.14 C ATOM 82 C ILE A 5 1.835 0.624 2.761 1.00 34.01 C ATOM 83 O ILE A 5 1.614 -0.573 2.964 1.00 55.55 O ATOM 84 CB ILE A 5 4.276 0.499 3.488 1.00 2.23 C ATOM 85 CG1 ILE A 5 5.353 1.061 4.475 1.00 44.44 C ATOM 86 CG2 ILE A 5 4.842 0.413 2.040 1.00 43.55 C ATOM 87 CD1 ILE A 5 5.837 2.471 4.181 1.00 2.44 C ATOM 0 H ILE A 5 2.759 0.872 5.565 1.00 42.03 H new ATOM 0 HA ILE A 5 3.187 2.313 3.078 1.00 43.14 H new ATOM 0 HB ILE A 5 4.025 -0.510 3.815 1.00 2.23 H new ATOM 0 HG12 ILE A 5 4.942 1.040 5.484 1.00 44.44 H new ATOM 0 HG13 ILE A 5 6.213 0.391 4.467 1.00 44.44 H new ATOM 0 HG21 ILE A 5 5.757 -0.179 2.042 1.00 43.55 H new ATOM 0 HG22 ILE A 5 4.106 -0.059 1.389 1.00 43.55 H new ATOM 0 HG23 ILE A 5 5.060 1.416 1.674 1.00 43.55 H new ATOM 0 HD11 ILE A 5 6.580 2.763 4.923 1.00 2.44 H new ATOM 0 HD12 ILE A 5 6.285 2.502 3.188 1.00 2.44 H new ATOM 0 HD13 ILE A 5 4.994 3.161 4.221 1.00 2.44 H new ATOM 99 N LEU A 6 1.120 1.357 1.911 1.00 72.10 N ATOM 100 CA LEU A 6 -0.024 0.819 1.163 1.00 32.02 C ATOM 101 C LEU A 6 0.525 0.313 -0.176 1.00 51.23 C ATOM 102 O LEU A 6 1.343 0.990 -0.785 1.00 20.03 O ATOM 103 CB LEU A 6 -1.106 1.934 0.966 1.00 53.03 C ATOM 104 CG LEU A 6 -2.607 1.482 0.861 1.00 73.10 C ATOM 105 CD1 LEU A 6 -2.871 0.472 -0.275 1.00 24.53 C ATOM 106 CD2 LEU A 6 -3.105 0.943 2.208 1.00 30.12 C ATOM 0 H LEU A 6 1.313 2.340 1.718 1.00 72.10 H new ATOM 0 HA LEU A 6 -0.510 0.003 1.697 1.00 32.02 H new ATOM 0 HB2 LEU A 6 -1.023 2.633 1.798 1.00 53.03 H new ATOM 0 HB3 LEU A 6 -0.858 2.487 0.060 1.00 53.03 H new ATOM 0 HG LEU A 6 -3.178 2.374 0.602 1.00 73.10 H new ATOM 0 HD11 LEU A 6 -3.928 0.206 -0.287 1.00 24.53 H new ATOM 0 HD12 LEU A 6 -2.599 0.920 -1.231 1.00 24.53 H new ATOM 0 HD13 LEU A 6 -2.273 -0.424 -0.111 1.00 24.53 H new ATOM 0 HD21 LEU A 6 -4.146 0.635 2.114 1.00 30.12 H new ATOM 0 HD22 LEU A 6 -2.499 0.087 2.504 1.00 30.12 H new ATOM 0 HD23 LEU A 6 -3.024 1.723 2.965 1.00 30.12 H new ATOM 118 N ILE A 7 0.125 -0.892 -0.603 1.00 61.02 N ATOM 119 CA ILE A 7 0.516 -1.445 -1.918 1.00 45.24 C ATOM 120 C ILE A 7 -0.710 -2.076 -2.596 1.00 30.21 C ATOM 121 O ILE A 7 -1.368 -2.929 -2.002 1.00 13.51 O ATOM 122 CB ILE A 7 1.671 -2.520 -1.785 1.00 73.51 C ATOM 123 CG1 ILE A 7 2.922 -1.906 -1.073 1.00 72.54 C ATOM 124 CG2 ILE A 7 2.060 -3.100 -3.173 1.00 23.51 C ATOM 125 CD1 ILE A 7 4.052 -2.871 -0.802 1.00 73.32 C ATOM 0 H ILE A 7 -0.474 -1.511 -0.056 1.00 61.02 H new ATOM 0 HA ILE A 7 0.897 -0.625 -2.527 1.00 45.24 H new ATOM 0 HB ILE A 7 1.295 -3.339 -1.172 1.00 73.51 H new ATOM 0 HG12 ILE A 7 3.303 -1.089 -1.686 1.00 72.54 H new ATOM 0 HG13 ILE A 7 2.603 -1.471 -0.126 1.00 72.54 H new ATOM 0 HG21 ILE A 7 2.855 -3.835 -3.050 1.00 23.51 H new ATOM 0 HG22 ILE A 7 1.190 -3.578 -3.624 1.00 23.51 H new ATOM 0 HG23 ILE A 7 2.408 -2.294 -3.820 1.00 23.51 H new ATOM 0 HD11 ILE A 7 4.868 -2.345 -0.307 1.00 73.32 H new ATOM 0 HD12 ILE A 7 3.696 -3.677 -0.160 1.00 73.32 H new ATOM 0 HD13 ILE A 7 4.408 -3.288 -1.744 1.00 73.32 H new ATOM 137 N ASN A 8 -1.016 -1.645 -3.838 1.00 72.32 N ATOM 138 CA ASN A 8 -2.023 -2.307 -4.686 1.00 64.30 C ATOM 139 C ASN A 8 -1.301 -3.037 -5.808 1.00 5.40 C ATOM 140 O ASN A 8 -0.687 -2.409 -6.670 1.00 0.51 O ATOM 141 CB ASN A 8 -3.028 -1.285 -5.291 1.00 51.21 C ATOM 142 CG ASN A 8 -4.041 -1.870 -6.308 1.00 70.12 C ATOM 143 OD1 ASN A 8 -4.398 -1.206 -7.287 1.00 44.05 O ATOM 144 ND2 ASN A 8 -4.545 -3.083 -6.070 1.00 3.50 N ATOM 0 H ASN A 8 -0.575 -0.836 -4.276 1.00 72.32 H new ATOM 0 HA ASN A 8 -2.593 -3.004 -4.072 1.00 64.30 H new ATOM 0 HB2 ASN A 8 -3.584 -0.822 -4.476 1.00 51.21 H new ATOM 0 HB3 ASN A 8 -2.463 -0.493 -5.782 1.00 51.21 H new ATOM 0 HD21 ASN A 8 -5.240 -3.480 -6.703 1.00 3.50 H new ATOM 0 HD22 ASN A 8 -4.235 -3.613 -5.255 1.00 3.50 H new ATOM 151 N THR A 9 -1.350 -4.361 -5.766 1.00 24.35 N ATOM 152 CA THR A 9 -0.962 -5.221 -6.884 1.00 64.33 C ATOM 153 C THR A 9 -2.116 -6.188 -7.159 1.00 12.34 C ATOM 154 O THR A 9 -2.734 -6.709 -6.220 1.00 63.30 O ATOM 155 CB THR A 9 0.378 -5.983 -6.600 1.00 75.15 C ATOM 156 OG1 THR A 9 0.712 -6.837 -7.714 1.00 34.41 O ATOM 157 CG2 THR A 9 0.330 -6.816 -5.308 1.00 64.32 C ATOM 0 H THR A 9 -1.664 -4.879 -4.945 1.00 24.35 H new ATOM 0 HA THR A 9 -0.773 -4.610 -7.767 1.00 64.33 H new ATOM 0 HB THR A 9 1.147 -5.222 -6.467 1.00 75.15 H new ATOM 0 HG1 THR A 9 1.597 -6.595 -8.058 1.00 34.41 H new ATOM 0 HG21 THR A 9 1.286 -7.320 -5.165 1.00 64.32 H new ATOM 0 HG22 THR A 9 0.135 -6.160 -4.459 1.00 64.32 H new ATOM 0 HG23 THR A 9 -0.464 -7.558 -5.383 1.00 64.32 H new ATOM 165 N ASN A 10 -2.425 -6.416 -8.445 1.00 43.31 N ATOM 166 CA ASN A 10 -3.458 -7.393 -8.852 1.00 5.34 C ATOM 167 C ASN A 10 -2.822 -8.790 -9.006 1.00 62.54 C ATOM 168 O ASN A 10 -3.521 -9.795 -9.173 1.00 4.02 O ATOM 169 CB ASN A 10 -4.135 -6.973 -10.184 1.00 65.41 C ATOM 170 CG ASN A 10 -4.715 -5.553 -10.185 1.00 63.13 C ATOM 171 OD1 ASN A 10 -5.031 -4.971 -9.141 1.00 71.21 O ATOM 172 ND2 ASN A 10 -4.906 -5.003 -11.372 1.00 24.24 N ATOM 0 H ASN A 10 -1.975 -5.938 -9.226 1.00 43.31 H new ATOM 0 HA ASN A 10 -4.224 -7.422 -8.077 1.00 5.34 H new ATOM 0 HB2 ASN A 10 -3.404 -7.054 -10.989 1.00 65.41 H new ATOM 0 HB3 ASN A 10 -4.935 -7.678 -10.408 1.00 65.41 H new ATOM 0 HD21 ASN A 10 -5.324 -4.075 -11.443 1.00 24.24 H new ATOM 0 HD22 ASN A 10 -4.636 -5.506 -12.217 1.00 24.24 H new ATOM 179 N ASN A 11 -1.479 -8.821 -8.953 1.00 62.43 N ATOM 180 CA ASN A 11 -0.675 -10.030 -9.153 1.00 74.34 C ATOM 181 C ASN A 11 -0.506 -10.761 -7.817 1.00 24.45 C ATOM 182 O ASN A 11 0.162 -10.248 -6.909 1.00 70.44 O ATOM 183 CB ASN A 11 0.708 -9.659 -9.755 1.00 54.32 C ATOM 184 CG ASN A 11 0.605 -8.747 -10.987 1.00 31.42 C ATOM 185 OD1 ASN A 11 0.452 -9.213 -12.112 1.00 34.14 O ATOM 186 ND2 ASN A 11 0.691 -7.438 -10.774 1.00 10.34 N ATOM 0 H ASN A 11 -0.917 -7.991 -8.767 1.00 62.43 H new ATOM 0 HA ASN A 11 -1.185 -10.692 -9.853 1.00 74.34 H new ATOM 0 HB2 ASN A 11 1.308 -9.163 -8.992 1.00 54.32 H new ATOM 0 HB3 ASN A 11 1.235 -10.573 -10.030 1.00 54.32 H new ATOM 0 HD21 ASN A 11 0.630 -6.789 -11.558 1.00 10.34 H new ATOM 0 HD22 ASN A 11 0.818 -7.083 -9.826 1.00 10.34 H new ATOM 193 N ASP A 12 -1.126 -11.960 -7.715 1.00 15.41 N ATOM 194 CA ASP A 12 -1.094 -12.816 -6.506 1.00 55.35 C ATOM 195 C ASP A 12 0.343 -13.152 -6.091 1.00 44.52 C ATOM 196 O ASP A 12 0.639 -13.281 -4.898 1.00 3.31 O ATOM 197 CB ASP A 12 -1.855 -14.141 -6.742 1.00 74.14 C ATOM 198 CG ASP A 12 -3.317 -13.939 -7.145 1.00 41.10 C ATOM 199 OD1 ASP A 12 -3.577 -13.642 -8.331 1.00 31.52 O ATOM 200 OD2 ASP A 12 -4.213 -14.095 -6.290 1.00 55.24 O ATOM 0 H ASP A 12 -1.668 -12.364 -8.478 1.00 15.41 H new ATOM 0 HA ASP A 12 -1.577 -12.248 -5.711 1.00 55.35 H new ATOM 0 HB2 ASP A 12 -1.347 -14.710 -7.521 1.00 74.14 H new ATOM 0 HB3 ASP A 12 -1.816 -14.741 -5.833 1.00 74.14 H new ATOM 205 N GLU A 13 1.223 -13.309 -7.099 1.00 42.32 N ATOM 206 CA GLU A 13 2.638 -13.601 -6.880 1.00 15.30 C ATOM 207 C GLU A 13 3.305 -12.454 -6.122 1.00 53.11 C ATOM 208 O GLU A 13 3.951 -12.690 -5.117 1.00 61.42 O ATOM 209 CB GLU A 13 3.357 -13.876 -8.222 1.00 40.00 C ATOM 210 CG GLU A 13 2.761 -15.054 -9.036 1.00 2.44 C ATOM 211 CD GLU A 13 2.688 -16.376 -8.240 1.00 42.32 C ATOM 212 OE1 GLU A 13 3.713 -17.076 -8.134 1.00 61.31 O ATOM 213 OE2 GLU A 13 1.604 -16.714 -7.702 1.00 63.43 O ATOM 0 H GLU A 13 0.966 -13.236 -8.083 1.00 42.32 H new ATOM 0 HA GLU A 13 2.716 -14.502 -6.272 1.00 15.30 H new ATOM 0 HB2 GLU A 13 3.321 -12.973 -8.832 1.00 40.00 H new ATOM 0 HB3 GLU A 13 4.408 -14.083 -8.022 1.00 40.00 H new ATOM 0 HG2 GLU A 13 1.759 -14.784 -9.371 1.00 2.44 H new ATOM 0 HG3 GLU A 13 3.365 -15.210 -9.930 1.00 2.44 H new ATOM 220 N LEU A 14 3.078 -11.208 -6.564 1.00 34.32 N ATOM 221 CA LEU A 14 3.664 -10.026 -5.907 1.00 74.33 C ATOM 222 C LEU A 14 3.094 -9.831 -4.497 1.00 3.12 C ATOM 223 O LEU A 14 3.789 -9.317 -3.641 1.00 22.10 O ATOM 224 CB LEU A 14 3.491 -8.738 -6.760 1.00 45.13 C ATOM 225 CG LEU A 14 4.512 -8.558 -7.927 1.00 44.02 C ATOM 226 CD1 LEU A 14 5.962 -8.509 -7.401 1.00 72.33 C ATOM 227 CD2 LEU A 14 4.335 -9.638 -9.012 1.00 64.32 C ATOM 0 H LEU A 14 2.494 -10.991 -7.372 1.00 34.32 H new ATOM 0 HA LEU A 14 4.734 -10.213 -5.816 1.00 74.33 H new ATOM 0 HB2 LEU A 14 2.484 -8.734 -7.178 1.00 45.13 H new ATOM 0 HB3 LEU A 14 3.566 -7.874 -6.100 1.00 45.13 H new ATOM 0 HG LEU A 14 4.303 -7.597 -8.398 1.00 44.02 H new ATOM 0 HD11 LEU A 14 6.649 -8.383 -8.238 1.00 72.33 H new ATOM 0 HD12 LEU A 14 6.071 -7.671 -6.713 1.00 72.33 H new ATOM 0 HD13 LEU A 14 6.192 -9.439 -6.880 1.00 72.33 H new ATOM 0 HD21 LEU A 14 5.064 -9.478 -9.807 1.00 64.32 H new ATOM 0 HD22 LEU A 14 4.488 -10.624 -8.572 1.00 64.32 H new ATOM 0 HD23 LEU A 14 3.328 -9.577 -9.425 1.00 64.32 H new ATOM 239 N ILE A 15 1.840 -10.261 -4.263 1.00 1.03 N ATOM 240 CA ILE A 15 1.238 -10.230 -2.917 1.00 54.31 C ATOM 241 C ILE A 15 2.063 -11.109 -1.949 1.00 40.33 C ATOM 242 O ILE A 15 2.631 -10.597 -0.979 1.00 44.44 O ATOM 243 CB ILE A 15 -0.266 -10.698 -2.942 1.00 30.33 C ATOM 244 CG1 ILE A 15 -1.112 -9.799 -3.895 1.00 60.33 C ATOM 245 CG2 ILE A 15 -0.876 -10.713 -1.520 1.00 2.11 C ATOM 246 CD1 ILE A 15 -2.557 -10.231 -4.072 1.00 62.44 C ATOM 0 H ILE A 15 1.225 -10.633 -4.987 1.00 1.03 H new ATOM 0 HA ILE A 15 1.253 -9.198 -2.565 1.00 54.31 H new ATOM 0 HB ILE A 15 -0.287 -11.718 -3.324 1.00 30.33 H new ATOM 0 HG12 ILE A 15 -1.098 -8.778 -3.514 1.00 60.33 H new ATOM 0 HG13 ILE A 15 -0.632 -9.780 -4.873 1.00 60.33 H new ATOM 0 HG21 ILE A 15 -1.914 -11.040 -1.573 1.00 2.11 H new ATOM 0 HG22 ILE A 15 -0.311 -11.399 -0.889 1.00 2.11 H new ATOM 0 HG23 ILE A 15 -0.833 -9.710 -1.095 1.00 2.11 H new ATOM 0 HD11 ILE A 15 -3.061 -9.544 -4.751 1.00 62.44 H new ATOM 0 HD12 ILE A 15 -2.587 -11.239 -4.486 1.00 62.44 H new ATOM 0 HD13 ILE A 15 -3.061 -10.221 -3.105 1.00 62.44 H new ATOM 258 N LYS A 16 2.174 -12.418 -2.280 1.00 71.14 N ATOM 259 CA LYS A 16 2.840 -13.424 -1.419 1.00 23.01 C ATOM 260 C LYS A 16 4.353 -13.132 -1.241 1.00 52.30 C ATOM 261 O LYS A 16 4.910 -13.375 -0.167 1.00 43.51 O ATOM 262 CB LYS A 16 2.616 -14.867 -1.979 1.00 31.22 C ATOM 263 CG LYS A 16 3.215 -15.140 -3.379 1.00 60.12 C ATOM 264 CD LYS A 16 3.044 -16.601 -3.865 1.00 21.13 C ATOM 265 CE LYS A 16 1.570 -17.042 -3.985 1.00 24.43 C ATOM 266 NZ LYS A 16 0.800 -16.193 -4.930 1.00 61.14 N ATOM 0 H LYS A 16 1.805 -12.805 -3.149 1.00 71.14 H new ATOM 0 HA LYS A 16 2.382 -13.357 -0.432 1.00 23.01 H new ATOM 0 HB2 LYS A 16 3.043 -15.581 -1.275 1.00 31.22 H new ATOM 0 HB3 LYS A 16 1.544 -15.060 -2.018 1.00 31.22 H new ATOM 0 HG2 LYS A 16 2.746 -14.471 -4.100 1.00 60.12 H new ATOM 0 HG3 LYS A 16 4.277 -14.896 -3.362 1.00 60.12 H new ATOM 0 HD2 LYS A 16 3.528 -16.712 -4.835 1.00 21.13 H new ATOM 0 HD3 LYS A 16 3.559 -17.268 -3.174 1.00 21.13 H new ATOM 0 HE2 LYS A 16 1.530 -18.079 -4.317 1.00 24.43 H new ATOM 0 HE3 LYS A 16 1.101 -17.004 -3.002 1.00 24.43 H new ATOM 0 HZ1 LYS A 16 -0.195 -16.496 -4.938 1.00 61.14 H new ATOM 0 HZ2 LYS A 16 0.857 -15.199 -4.629 1.00 61.14 H new ATOM 0 HZ3 LYS A 16 1.198 -16.288 -5.886 1.00 61.14 H new ATOM 280 N LYS A 17 4.991 -12.599 -2.307 1.00 12.44 N ATOM 281 CA LYS A 17 6.422 -12.240 -2.303 1.00 64.33 C ATOM 282 C LYS A 17 6.680 -11.036 -1.388 1.00 61.25 C ATOM 283 O LYS A 17 7.537 -11.122 -0.515 1.00 21.12 O ATOM 284 CB LYS A 17 6.908 -11.946 -3.744 1.00 21.42 C ATOM 285 CG LYS A 17 6.938 -13.190 -4.664 1.00 4.43 C ATOM 286 CD LYS A 17 7.195 -12.827 -6.143 1.00 73.11 C ATOM 287 CE LYS A 17 8.584 -12.220 -6.383 1.00 22.31 C ATOM 288 NZ LYS A 17 9.667 -13.196 -6.094 1.00 45.21 N ATOM 0 H LYS A 17 4.525 -12.407 -3.194 1.00 12.44 H new ATOM 0 HA LYS A 17 6.987 -13.087 -1.913 1.00 64.33 H new ATOM 0 HB2 LYS A 17 6.258 -11.193 -4.189 1.00 21.42 H new ATOM 0 HB3 LYS A 17 7.909 -11.516 -3.698 1.00 21.42 H new ATOM 0 HG2 LYS A 17 7.715 -13.873 -4.321 1.00 4.43 H new ATOM 0 HG3 LYS A 17 5.989 -13.720 -4.583 1.00 4.43 H new ATOM 0 HD2 LYS A 17 7.086 -13.723 -6.755 1.00 73.11 H new ATOM 0 HD3 LYS A 17 6.434 -12.120 -6.475 1.00 73.11 H new ATOM 0 HE2 LYS A 17 8.662 -11.886 -7.418 1.00 22.31 H new ATOM 0 HE3 LYS A 17 8.710 -11.339 -5.753 1.00 22.31 H new ATOM 0 HZ1 LYS A 17 10.582 -12.793 -6.379 1.00 45.21 H new ATOM 0 HZ2 LYS A 17 9.683 -13.405 -5.075 1.00 45.21 H new ATOM 0 HZ3 LYS A 17 9.495 -14.073 -6.625 1.00 45.21 H new ATOM 302 N ILE A 18 5.906 -9.941 -1.584 1.00 30.23 N ATOM 303 CA ILE A 18 6.026 -8.706 -0.773 1.00 53.15 C ATOM 304 C ILE A 18 5.861 -9.025 0.723 1.00 60.41 C ATOM 305 O ILE A 18 6.620 -8.501 1.531 1.00 61.22 O ATOM 306 CB ILE A 18 5.014 -7.575 -1.241 1.00 60.14 C ATOM 307 CG1 ILE A 18 5.468 -6.973 -2.616 1.00 53.13 C ATOM 308 CG2 ILE A 18 4.831 -6.451 -0.184 1.00 61.15 C ATOM 309 CD1 ILE A 18 4.507 -5.965 -3.237 1.00 4.43 C ATOM 0 H ILE A 18 5.185 -9.889 -2.304 1.00 30.23 H new ATOM 0 HA ILE A 18 7.028 -8.307 -0.932 1.00 53.15 H new ATOM 0 HB ILE A 18 4.040 -8.051 -1.359 1.00 60.14 H new ATOM 0 HG12 ILE A 18 6.436 -6.491 -2.481 1.00 53.13 H new ATOM 0 HG13 ILE A 18 5.615 -7.791 -3.321 1.00 53.13 H new ATOM 0 HG21 ILE A 18 4.128 -5.708 -0.561 1.00 61.15 H new ATOM 0 HG22 ILE A 18 4.444 -6.880 0.740 1.00 61.15 H new ATOM 0 HG23 ILE A 18 5.792 -5.975 0.011 1.00 61.15 H new ATOM 0 HD11 ILE A 18 4.914 -5.610 -4.184 1.00 4.43 H new ATOM 0 HD12 ILE A 18 3.543 -6.442 -3.413 1.00 4.43 H new ATOM 0 HD13 ILE A 18 4.376 -5.121 -2.559 1.00 4.43 H new ATOM 321 N LYS A 19 4.924 -9.947 1.061 1.00 22.13 N ATOM 322 CA LYS A 19 4.713 -10.405 2.455 1.00 12.41 C ATOM 323 C LYS A 19 6.038 -10.849 3.106 1.00 31.14 C ATOM 324 O LYS A 19 6.347 -10.464 4.236 1.00 35.21 O ATOM 325 CB LYS A 19 3.684 -11.575 2.529 1.00 20.32 C ATOM 326 CG LYS A 19 2.249 -11.199 2.114 1.00 74.43 C ATOM 327 CD LYS A 19 1.210 -12.292 2.455 1.00 41.44 C ATOM 328 CE LYS A 19 -0.215 -11.884 2.049 1.00 43.32 C ATOM 329 NZ LYS A 19 -1.239 -12.866 2.503 1.00 14.24 N ATOM 0 H LYS A 19 4.302 -10.388 0.384 1.00 22.13 H new ATOM 0 HA LYS A 19 4.313 -9.553 3.005 1.00 12.41 H new ATOM 0 HB2 LYS A 19 4.031 -12.387 1.890 1.00 20.32 H new ATOM 0 HB3 LYS A 19 3.664 -11.959 3.549 1.00 20.32 H new ATOM 0 HG2 LYS A 19 1.966 -10.270 2.610 1.00 74.43 H new ATOM 0 HG3 LYS A 19 2.226 -11.007 1.041 1.00 74.43 H new ATOM 0 HD2 LYS A 19 1.480 -13.218 1.948 1.00 41.44 H new ATOM 0 HD3 LYS A 19 1.237 -12.495 3.526 1.00 41.44 H new ATOM 0 HE2 LYS A 19 -0.443 -10.905 2.470 1.00 43.32 H new ATOM 0 HE3 LYS A 19 -0.266 -11.785 0.965 1.00 43.32 H new ATOM 0 HZ1 LYS A 19 -2.054 -12.842 1.857 1.00 14.24 H new ATOM 0 HZ2 LYS A 19 -0.827 -13.821 2.505 1.00 14.24 H new ATOM 0 HZ3 LYS A 19 -1.552 -12.622 3.464 1.00 14.24 H new ATOM 343 N LYS A 20 6.830 -11.618 2.349 1.00 24.21 N ATOM 344 CA LYS A 20 8.062 -12.236 2.852 1.00 50.04 C ATOM 345 C LYS A 20 9.247 -11.241 2.844 1.00 54.42 C ATOM 346 O LYS A 20 10.009 -11.178 3.812 1.00 74.11 O ATOM 347 CB LYS A 20 8.393 -13.506 2.028 1.00 1.22 C ATOM 348 CG LYS A 20 7.238 -14.532 1.883 1.00 64.03 C ATOM 349 CD LYS A 20 6.540 -14.920 3.215 1.00 35.11 C ATOM 350 CE LYS A 20 7.486 -15.504 4.285 1.00 54.30 C ATOM 351 NZ LYS A 20 8.189 -16.735 3.832 1.00 34.32 N ATOM 0 H LYS A 20 6.634 -11.829 1.370 1.00 24.21 H new ATOM 0 HA LYS A 20 7.897 -12.525 3.890 1.00 50.04 H new ATOM 0 HB2 LYS A 20 8.709 -13.198 1.031 1.00 1.22 H new ATOM 0 HB3 LYS A 20 9.243 -14.006 2.491 1.00 1.22 H new ATOM 0 HG2 LYS A 20 6.491 -14.123 1.203 1.00 64.03 H new ATOM 0 HG3 LYS A 20 7.630 -15.436 1.418 1.00 64.03 H new ATOM 0 HD2 LYS A 20 6.050 -14.037 3.624 1.00 35.11 H new ATOM 0 HD3 LYS A 20 5.758 -15.649 3.002 1.00 35.11 H new ATOM 0 HE2 LYS A 20 8.225 -14.751 4.559 1.00 54.30 H new ATOM 0 HE3 LYS A 20 6.913 -15.730 5.184 1.00 54.30 H new ATOM 0 HZ1 LYS A 20 8.809 -17.080 4.592 1.00 34.32 H new ATOM 0 HZ2 LYS A 20 7.489 -17.468 3.596 1.00 34.32 H new ATOM 0 HZ3 LYS A 20 8.761 -16.519 2.990 1.00 34.32 H new ATOM 365 N GLU A 21 9.414 -10.515 1.726 1.00 54.24 N ATOM 366 CA GLU A 21 10.472 -9.486 1.565 1.00 62.32 C ATOM 367 C GLU A 21 10.469 -8.461 2.722 1.00 15.11 C ATOM 368 O GLU A 21 11.493 -8.213 3.357 1.00 14.05 O ATOM 369 CB GLU A 21 10.319 -8.733 0.203 1.00 65.15 C ATOM 370 CG GLU A 21 10.302 -9.638 -1.055 1.00 43.10 C ATOM 371 CD GLU A 21 11.461 -10.646 -1.109 1.00 12.11 C ATOM 372 OE1 GLU A 21 12.587 -10.258 -1.479 1.00 30.21 O ATOM 373 OE2 GLU A 21 11.250 -11.838 -0.787 1.00 44.05 O ATOM 0 H GLU A 21 8.821 -10.620 0.903 1.00 54.24 H new ATOM 0 HA GLU A 21 11.425 -10.015 1.581 1.00 62.32 H new ATOM 0 HB2 GLU A 21 9.395 -8.156 0.228 1.00 65.15 H new ATOM 0 HB3 GLU A 21 11.138 -8.020 0.107 1.00 65.15 H new ATOM 0 HG2 GLU A 21 9.358 -10.182 -1.087 1.00 43.10 H new ATOM 0 HG3 GLU A 21 10.338 -9.009 -1.944 1.00 43.10 H new ATOM 380 N VAL A 22 9.287 -7.915 3.014 1.00 24.14 N ATOM 381 CA VAL A 22 9.146 -6.739 3.893 1.00 14.25 C ATOM 382 C VAL A 22 9.157 -7.103 5.391 1.00 3.33 C ATOM 383 O VAL A 22 9.453 -6.240 6.235 1.00 73.14 O ATOM 384 CB VAL A 22 7.861 -5.920 3.521 1.00 21.11 C ATOM 385 CG1 VAL A 22 7.820 -5.653 1.996 1.00 24.03 C ATOM 386 CG2 VAL A 22 6.563 -6.608 3.998 1.00 64.44 C ATOM 0 H VAL A 22 8.401 -8.269 2.653 1.00 24.14 H new ATOM 0 HA VAL A 22 10.022 -6.114 3.723 1.00 14.25 H new ATOM 0 HB VAL A 22 7.918 -4.967 4.047 1.00 21.11 H new ATOM 0 HG11 VAL A 22 6.923 -5.084 1.750 1.00 24.03 H new ATOM 0 HG12 VAL A 22 8.703 -5.085 1.702 1.00 24.03 H new ATOM 0 HG13 VAL A 22 7.805 -6.602 1.461 1.00 24.03 H new ATOM 0 HG21 VAL A 22 5.704 -6.000 3.715 1.00 64.44 H new ATOM 0 HG22 VAL A 22 6.480 -7.591 3.534 1.00 64.44 H new ATOM 0 HG23 VAL A 22 6.588 -6.720 5.082 1.00 64.44 H new ATOM 396 N GLU A 23 8.851 -8.379 5.722 1.00 11.24 N ATOM 397 CA GLU A 23 8.860 -8.843 7.124 1.00 45.23 C ATOM 398 C GLU A 23 10.305 -9.033 7.638 1.00 53.42 C ATOM 399 O GLU A 23 10.526 -9.102 8.854 1.00 4.40 O ATOM 400 CB GLU A 23 7.973 -10.114 7.293 1.00 24.54 C ATOM 401 CG GLU A 23 8.450 -11.417 6.596 1.00 35.24 C ATOM 402 CD GLU A 23 9.444 -12.257 7.413 1.00 72.32 C ATOM 403 OE1 GLU A 23 9.037 -12.843 8.436 1.00 21.23 O ATOM 404 OE2 GLU A 23 10.631 -12.347 7.041 1.00 22.00 O ATOM 0 H GLU A 23 8.598 -9.097 5.043 1.00 11.24 H new ATOM 0 HA GLU A 23 8.415 -8.072 7.752 1.00 45.23 H new ATOM 0 HB2 GLU A 23 7.877 -10.318 8.359 1.00 24.54 H new ATOM 0 HB3 GLU A 23 6.975 -9.880 6.922 1.00 24.54 H new ATOM 0 HG2 GLU A 23 7.578 -12.031 6.368 1.00 35.24 H new ATOM 0 HG3 GLU A 23 8.913 -11.155 5.645 1.00 35.24 H new ATOM 411 N ASN A 24 11.281 -9.093 6.691 1.00 50.23 N ATOM 412 CA ASN A 24 12.727 -9.051 7.017 1.00 1.51 C ATOM 413 C ASN A 24 13.094 -7.704 7.667 1.00 60.24 C ATOM 414 O ASN A 24 13.991 -7.628 8.510 1.00 62.25 O ATOM 415 CB ASN A 24 13.610 -9.243 5.744 1.00 42.32 C ATOM 416 CG ASN A 24 13.631 -10.658 5.149 1.00 10.14 C ATOM 417 OD1 ASN A 24 12.522 -11.368 5.167 1.00 1.41 O flip ATOM 418 ND2 ASN A 24 14.658 -11.097 4.634 1.00 60.44 N flip ATOM 0 H ASN A 24 11.087 -9.171 5.693 1.00 50.23 H new ATOM 0 HA ASN A 24 12.921 -9.869 7.711 1.00 1.51 H new ATOM 0 HB2 ASN A 24 13.261 -8.552 4.976 1.00 42.32 H new ATOM 0 HB3 ASN A 24 14.633 -8.958 5.989 1.00 42.32 H new ATOM 0 HD21 ASN A 24 15.508 -10.533 4.629 1.00 60.44 H new ATOM 0 HD22 ASN A 24 14.660 -12.025 4.211 1.00 60.44 H new ATOM 425 N GLN A 25 12.380 -6.642 7.244 1.00 3.21 N ATOM 426 CA GLN A 25 12.648 -5.252 7.664 1.00 4.32 C ATOM 427 C GLN A 25 11.826 -4.859 8.910 1.00 70.03 C ATOM 428 O GLN A 25 11.907 -3.714 9.356 1.00 13.55 O ATOM 429 CB GLN A 25 12.334 -4.292 6.481 1.00 41.22 C ATOM 430 CG GLN A 25 13.049 -4.636 5.159 1.00 44.31 C ATOM 431 CD GLN A 25 14.581 -4.589 5.234 1.00 25.32 C ATOM 432 OE1 GLN A 25 15.197 -3.547 5.009 1.00 11.20 O ATOM 433 NE2 GLN A 25 15.204 -5.720 5.523 1.00 62.24 N ATOM 0 H GLN A 25 11.596 -6.725 6.597 1.00 3.21 H new ATOM 0 HA GLN A 25 13.700 -5.172 7.937 1.00 4.32 H new ATOM 0 HB2 GLN A 25 11.258 -4.294 6.306 1.00 41.22 H new ATOM 0 HB3 GLN A 25 12.608 -3.278 6.772 1.00 41.22 H new ATOM 0 HG2 GLN A 25 12.744 -5.634 4.844 1.00 44.31 H new ATOM 0 HG3 GLN A 25 12.714 -3.942 4.388 1.00 44.31 H new ATOM 0 HE21 GLN A 25 14.665 -6.567 5.705 1.00 62.24 H new ATOM 0 HE22 GLN A 25 16.223 -5.745 5.564 1.00 62.24 H new ATOM 442 N GLY A 26 11.068 -5.817 9.479 1.00 42.32 N ATOM 443 CA GLY A 26 10.206 -5.556 10.638 1.00 22.32 C ATOM 444 C GLY A 26 8.960 -4.732 10.318 1.00 11.24 C ATOM 445 O GLY A 26 8.575 -3.845 11.096 1.00 73.24 O ATOM 0 H GLY A 26 11.039 -6.782 9.149 1.00 42.32 H new ATOM 0 HA2 GLY A 26 9.897 -6.508 11.069 1.00 22.32 H new ATOM 0 HA3 GLY A 26 10.787 -5.035 11.399 1.00 22.32 H new ATOM 449 N TYR A 27 8.341 -5.010 9.157 1.00 71.13 N ATOM 450 CA TYR A 27 7.065 -4.387 8.735 1.00 31.24 C ATOM 451 C TYR A 27 5.951 -5.428 8.815 1.00 12.51 C ATOM 452 O TYR A 27 5.966 -6.423 8.076 1.00 24.03 O ATOM 453 CB TYR A 27 7.189 -3.779 7.299 1.00 11.33 C ATOM 454 CG TYR A 27 7.967 -2.451 7.290 1.00 41.45 C ATOM 455 CD1 TYR A 27 9.286 -2.401 7.742 1.00 32.12 C ATOM 456 CD2 TYR A 27 7.371 -1.246 6.906 1.00 44.11 C ATOM 457 CE1 TYR A 27 9.981 -1.226 7.809 1.00 54.41 C ATOM 458 CE2 TYR A 27 8.070 -0.056 6.985 1.00 20.24 C ATOM 459 CZ TYR A 27 9.375 -0.058 7.441 1.00 22.15 C ATOM 460 OH TYR A 27 10.063 1.117 7.561 1.00 55.51 O ATOM 0 H TYR A 27 8.710 -5.676 8.479 1.00 71.13 H new ATOM 0 HA TYR A 27 6.821 -3.563 9.406 1.00 31.24 H new ATOM 0 HB2 TYR A 27 7.689 -4.494 6.646 1.00 11.33 H new ATOM 0 HB3 TYR A 27 6.192 -3.616 6.889 1.00 11.33 H new ATOM 0 HD1 TYR A 27 9.771 -3.316 8.047 1.00 32.12 H new ATOM 0 HD2 TYR A 27 6.354 -1.245 6.544 1.00 44.11 H new ATOM 0 HE1 TYR A 27 11.005 -1.221 8.152 1.00 54.41 H new ATOM 0 HE2 TYR A 27 7.599 0.871 6.692 1.00 20.24 H new ATOM 0 HH TYR A 27 10.797 1.134 6.912 1.00 55.51 H new ATOM 470 N GLN A 28 5.002 -5.192 9.746 1.00 53.41 N ATOM 471 CA GLN A 28 3.895 -6.115 10.031 1.00 4.44 C ATOM 472 C GLN A 28 2.926 -6.127 8.846 1.00 45.23 C ATOM 473 O GLN A 28 2.228 -5.135 8.590 1.00 24.31 O ATOM 474 CB GLN A 28 3.152 -5.733 11.344 1.00 30.33 C ATOM 475 CG GLN A 28 3.962 -5.923 12.654 1.00 71.21 C ATOM 476 CD GLN A 28 5.173 -4.993 12.780 1.00 5.45 C ATOM 477 OE1 GLN A 28 6.294 -5.345 12.421 1.00 21.35 O ATOM 478 NE2 GLN A 28 4.945 -3.792 13.266 1.00 51.23 N ATOM 0 H GLN A 28 4.987 -4.350 10.321 1.00 53.41 H new ATOM 0 HA GLN A 28 4.307 -7.114 10.175 1.00 4.44 H new ATOM 0 HB2 GLN A 28 2.845 -4.689 11.276 1.00 30.33 H new ATOM 0 HB3 GLN A 28 2.242 -6.329 11.411 1.00 30.33 H new ATOM 0 HG2 GLN A 28 3.301 -5.758 13.505 1.00 71.21 H new ATOM 0 HG3 GLN A 28 4.303 -6.957 12.711 1.00 71.21 H new ATOM 0 HE21 GLN A 28 4.003 -3.529 13.556 1.00 51.23 H new ATOM 0 HE22 GLN A 28 5.710 -3.123 13.353 1.00 51.23 H new ATOM 487 N VAL A 29 2.918 -7.251 8.120 1.00 73.43 N ATOM 488 CA VAL A 29 2.149 -7.397 6.884 1.00 44.01 C ATOM 489 C VAL A 29 0.697 -7.758 7.218 1.00 35.22 C ATOM 490 O VAL A 29 0.431 -8.764 7.889 1.00 35.12 O ATOM 491 CB VAL A 29 2.749 -8.488 5.932 1.00 3.50 C ATOM 492 CG1 VAL A 29 2.151 -8.370 4.510 1.00 62.31 C ATOM 493 CG2 VAL A 29 4.290 -8.429 5.906 1.00 22.40 C ATOM 0 H VAL A 29 3.446 -8.085 8.376 1.00 73.43 H new ATOM 0 HA VAL A 29 2.193 -6.442 6.361 1.00 44.01 H new ATOM 0 HB VAL A 29 2.472 -9.465 6.328 1.00 3.50 H new ATOM 0 HG11 VAL A 29 2.583 -9.138 3.869 1.00 62.31 H new ATOM 0 HG12 VAL A 29 1.070 -8.503 4.558 1.00 62.31 H new ATOM 0 HG13 VAL A 29 2.378 -7.386 4.101 1.00 62.31 H new ATOM 0 HG21 VAL A 29 4.672 -9.199 5.236 1.00 22.40 H new ATOM 0 HG22 VAL A 29 4.611 -7.449 5.553 1.00 22.40 H new ATOM 0 HG23 VAL A 29 4.678 -8.597 6.911 1.00 22.40 H new ATOM 503 N ARG A 30 -0.224 -6.911 6.769 1.00 25.15 N ATOM 504 CA ARG A 30 -1.664 -7.098 6.914 1.00 62.23 C ATOM 505 C ARG A 30 -2.297 -6.974 5.525 1.00 34.04 C ATOM 506 O ARG A 30 -2.226 -5.916 4.898 1.00 54.33 O ATOM 507 CB ARG A 30 -2.230 -6.052 7.926 1.00 24.31 C ATOM 508 CG ARG A 30 -1.679 -6.178 9.382 1.00 51.34 C ATOM 509 CD ARG A 30 -2.323 -7.324 10.210 1.00 64.52 C ATOM 510 NE ARG A 30 -2.258 -8.655 9.560 1.00 21.20 N ATOM 511 CZ ARG A 30 -3.332 -9.395 9.185 1.00 33.45 C ATOM 512 NH1 ARG A 30 -4.572 -8.950 9.380 1.00 23.14 N ATOM 513 NH2 ARG A 30 -3.143 -10.555 8.584 1.00 73.22 N ATOM 0 H ARG A 30 0.018 -6.050 6.279 1.00 25.15 H new ATOM 0 HA ARG A 30 -1.901 -8.083 7.316 1.00 62.23 H new ATOM 0 HB2 ARG A 30 -2.007 -5.052 7.554 1.00 24.31 H new ATOM 0 HB3 ARG A 30 -3.315 -6.147 7.955 1.00 24.31 H new ATOM 0 HG2 ARG A 30 -0.602 -6.338 9.338 1.00 51.34 H new ATOM 0 HG3 ARG A 30 -1.840 -5.234 9.902 1.00 51.34 H new ATOM 0 HD2 ARG A 30 -1.826 -7.381 11.179 1.00 64.52 H new ATOM 0 HD3 ARG A 30 -3.367 -7.076 10.401 1.00 64.52 H new ATOM 0 HE ARG A 30 -1.333 -9.045 9.380 1.00 21.20 H new ATOM 0 HH11 ARG A 30 -4.725 -8.041 9.817 1.00 23.14 H new ATOM 0 HH12 ARG A 30 -5.369 -9.518 9.093 1.00 23.14 H new ATOM 0 HH21 ARG A 30 -2.196 -10.888 8.405 1.00 73.22 H new ATOM 0 HH22 ARG A 30 -3.944 -11.118 8.299 1.00 73.22 H new ATOM 527 N ASP A 31 -2.870 -8.078 5.027 1.00 54.55 N ATOM 528 CA ASP A 31 -3.442 -8.138 3.669 1.00 60.14 C ATOM 529 C ASP A 31 -4.965 -8.113 3.759 1.00 62.32 C ATOM 530 O ASP A 31 -5.555 -8.755 4.626 1.00 74.53 O ATOM 531 CB ASP A 31 -2.951 -9.393 2.895 1.00 51.51 C ATOM 532 CG ASP A 31 -3.425 -10.729 3.506 1.00 31.15 C ATOM 533 OD1 ASP A 31 -2.878 -11.145 4.550 1.00 55.14 O ATOM 534 OD2 ASP A 31 -4.324 -11.378 2.931 1.00 13.35 O ATOM 0 H ASP A 31 -2.951 -8.951 5.548 1.00 54.55 H new ATOM 0 HA ASP A 31 -3.100 -7.267 3.110 1.00 60.14 H new ATOM 0 HB2 ASP A 31 -3.300 -9.332 1.864 1.00 51.51 H new ATOM 0 HB3 ASP A 31 -1.861 -9.385 2.863 1.00 51.51 H new ATOM 539 N VAL A 32 -5.584 -7.348 2.863 1.00 15.04 N ATOM 540 CA VAL A 32 -7.037 -7.208 2.768 1.00 4.33 C ATOM 541 C VAL A 32 -7.465 -7.679 1.376 1.00 73.13 C ATOM 542 O VAL A 32 -7.061 -7.095 0.357 1.00 42.43 O ATOM 543 CB VAL A 32 -7.485 -5.716 3.006 1.00 62.12 C ATOM 544 CG1 VAL A 32 -9.014 -5.550 2.839 1.00 54.12 C ATOM 545 CG2 VAL A 32 -7.026 -5.211 4.400 1.00 62.45 C ATOM 0 H VAL A 32 -5.080 -6.797 2.168 1.00 15.04 H new ATOM 0 HA VAL A 32 -7.515 -7.812 3.539 1.00 4.33 H new ATOM 0 HB VAL A 32 -6.999 -5.104 2.246 1.00 62.12 H new ATOM 0 HG11 VAL A 32 -9.288 -4.509 3.010 1.00 54.12 H new ATOM 0 HG12 VAL A 32 -9.303 -5.840 1.829 1.00 54.12 H new ATOM 0 HG13 VAL A 32 -9.530 -6.184 3.560 1.00 54.12 H new ATOM 0 HG21 VAL A 32 -7.349 -4.179 4.537 1.00 62.45 H new ATOM 0 HG22 VAL A 32 -7.467 -5.836 5.177 1.00 62.45 H new ATOM 0 HG23 VAL A 32 -5.939 -5.263 4.466 1.00 62.45 H new ATOM 555 N ASN A 33 -8.260 -8.754 1.341 1.00 4.22 N ATOM 556 CA ASN A 33 -8.779 -9.350 0.097 1.00 14.14 C ATOM 557 C ASN A 33 -10.239 -8.928 -0.118 1.00 71.01 C ATOM 558 O ASN A 33 -10.747 -8.989 -1.242 1.00 21.10 O ATOM 559 CB ASN A 33 -8.677 -10.904 0.156 1.00 24.21 C ATOM 560 CG ASN A 33 -7.335 -11.400 0.704 1.00 4.22 C ATOM 561 OD1 ASN A 33 -6.380 -11.611 -0.036 1.00 52.23 O ATOM 562 ND2 ASN A 33 -7.259 -11.566 2.021 1.00 74.32 N ATOM 0 H ASN A 33 -8.567 -9.243 2.182 1.00 4.22 H new ATOM 0 HA ASN A 33 -8.178 -8.992 -0.739 1.00 14.14 H new ATOM 0 HB2 ASN A 33 -9.482 -11.291 0.780 1.00 24.21 H new ATOM 0 HB3 ASN A 33 -8.826 -11.310 -0.845 1.00 24.21 H new ATOM 0 HD21 ASN A 33 -6.386 -11.878 2.446 1.00 74.32 H new ATOM 0 HD22 ASN A 33 -8.074 -11.381 2.606 1.00 74.32 H new ATOM 569 N ASP A 34 -10.909 -8.489 0.973 1.00 12.12 N ATOM 570 CA ASP A 34 -12.351 -8.172 0.955 1.00 74.24 C ATOM 571 C ASP A 34 -12.679 -7.021 1.936 1.00 61.44 C ATOM 572 O ASP A 34 -11.963 -6.797 2.923 1.00 2.25 O ATOM 573 CB ASP A 34 -13.171 -9.445 1.310 1.00 74.23 C ATOM 574 CG ASP A 34 -14.683 -9.261 1.095 1.00 61.23 C ATOM 575 OD1 ASP A 34 -15.123 -9.272 -0.072 1.00 53.53 O ATOM 576 OD2 ASP A 34 -15.426 -9.045 2.074 1.00 23.02 O ATOM 0 H ASP A 34 -10.467 -8.346 1.881 1.00 12.12 H new ATOM 0 HA ASP A 34 -12.623 -7.840 -0.047 1.00 74.24 H new ATOM 0 HB2 ASP A 34 -12.821 -10.278 0.701 1.00 74.23 H new ATOM 0 HB3 ASP A 34 -12.987 -9.712 2.351 1.00 74.23 H new ATOM 581 N SER A 35 -13.785 -6.308 1.637 1.00 33.03 N ATOM 582 CA SER A 35 -14.299 -5.166 2.423 1.00 41.41 C ATOM 583 C SER A 35 -14.523 -5.504 3.907 1.00 15.25 C ATOM 584 O SER A 35 -14.308 -4.646 4.771 1.00 62.44 O ATOM 585 CB SER A 35 -15.606 -4.667 1.775 1.00 71.14 C ATOM 586 OG SER A 35 -15.397 -4.341 0.412 1.00 4.21 O ATOM 0 H SER A 35 -14.360 -6.516 0.821 1.00 33.03 H new ATOM 0 HA SER A 35 -13.542 -4.382 2.408 1.00 41.41 H new ATOM 0 HB2 SER A 35 -16.375 -5.436 1.856 1.00 71.14 H new ATOM 0 HB3 SER A 35 -15.972 -3.792 2.311 1.00 71.14 H new ATOM 0 HG SER A 35 -16.238 -4.028 0.018 1.00 4.21 H new ATOM 592 N ASP A 36 -14.919 -6.763 4.186 1.00 5.32 N ATOM 593 CA ASP A 36 -15.138 -7.260 5.555 1.00 62.32 C ATOM 594 C ASP A 36 -13.860 -7.095 6.391 1.00 43.13 C ATOM 595 O ASP A 36 -13.894 -6.568 7.510 1.00 71.50 O ATOM 596 CB ASP A 36 -15.559 -8.751 5.508 1.00 43.02 C ATOM 597 CG ASP A 36 -15.861 -9.330 6.897 1.00 11.13 C ATOM 598 OD1 ASP A 36 -14.937 -9.848 7.568 1.00 22.02 O ATOM 599 OD2 ASP A 36 -17.020 -9.232 7.351 1.00 41.12 O ATOM 0 H ASP A 36 -15.095 -7.463 3.465 1.00 5.32 H new ATOM 0 HA ASP A 36 -15.934 -6.680 6.022 1.00 62.32 H new ATOM 0 HB2 ASP A 36 -16.442 -8.854 4.877 1.00 43.02 H new ATOM 0 HB3 ASP A 36 -14.764 -9.333 5.042 1.00 43.02 H new ATOM 604 N GLU A 37 -12.738 -7.524 5.785 1.00 12.43 N ATOM 605 CA GLU A 37 -11.405 -7.487 6.394 1.00 44.22 C ATOM 606 C GLU A 37 -10.946 -6.041 6.599 1.00 41.42 C ATOM 607 O GLU A 37 -10.402 -5.713 7.651 1.00 61.12 O ATOM 608 CB GLU A 37 -10.398 -8.247 5.501 1.00 45.14 C ATOM 609 CG GLU A 37 -10.733 -9.732 5.292 1.00 71.43 C ATOM 610 CD GLU A 37 -9.762 -10.405 4.325 1.00 70.02 C ATOM 611 OE1 GLU A 37 -8.720 -10.937 4.765 1.00 63.20 O ATOM 612 OE2 GLU A 37 -10.018 -10.375 3.115 1.00 44.05 O ATOM 0 H GLU A 37 -12.737 -7.912 4.842 1.00 12.43 H new ATOM 0 HA GLU A 37 -11.453 -7.972 7.369 1.00 44.22 H new ATOM 0 HB2 GLU A 37 -10.351 -7.757 4.529 1.00 45.14 H new ATOM 0 HB3 GLU A 37 -9.406 -8.170 5.945 1.00 45.14 H new ATOM 0 HG2 GLU A 37 -10.706 -10.249 6.251 1.00 71.43 H new ATOM 0 HG3 GLU A 37 -11.749 -9.824 4.909 1.00 71.43 H new ATOM 619 N LEU A 38 -11.210 -5.186 5.583 1.00 31.43 N ATOM 620 CA LEU A 38 -10.865 -3.744 5.614 1.00 33.24 C ATOM 621 C LEU A 38 -11.423 -3.065 6.878 1.00 12.22 C ATOM 622 O LEU A 38 -10.704 -2.328 7.566 1.00 41.43 O ATOM 623 CB LEU A 38 -11.399 -3.066 4.312 1.00 50.33 C ATOM 624 CG LEU A 38 -11.261 -1.494 4.186 1.00 43.21 C ATOM 625 CD1 LEU A 38 -11.027 -1.072 2.728 1.00 42.41 C ATOM 626 CD2 LEU A 38 -12.506 -0.746 4.742 1.00 23.31 C ATOM 0 H LEU A 38 -11.668 -5.476 4.719 1.00 31.43 H new ATOM 0 HA LEU A 38 -9.782 -3.632 5.653 1.00 33.24 H new ATOM 0 HB2 LEU A 38 -10.882 -3.516 3.464 1.00 50.33 H new ATOM 0 HB3 LEU A 38 -12.455 -3.318 4.212 1.00 50.33 H new ATOM 0 HG LEU A 38 -10.396 -1.215 4.788 1.00 43.21 H new ATOM 0 HD11 LEU A 38 -10.936 0.013 2.673 1.00 42.41 H new ATOM 0 HD12 LEU A 38 -10.110 -1.532 2.359 1.00 42.41 H new ATOM 0 HD13 LEU A 38 -11.868 -1.397 2.116 1.00 42.41 H new ATOM 0 HD21 LEU A 38 -12.363 0.329 4.633 1.00 23.31 H new ATOM 0 HD22 LEU A 38 -13.393 -1.052 4.187 1.00 23.31 H new ATOM 0 HD23 LEU A 38 -12.636 -0.990 5.796 1.00 23.31 H new ATOM 638 N LYS A 39 -12.716 -3.340 7.164 1.00 43.25 N ATOM 639 CA LYS A 39 -13.432 -2.755 8.313 1.00 54.24 C ATOM 640 C LYS A 39 -12.778 -3.195 9.638 1.00 64.12 C ATOM 641 O LYS A 39 -12.562 -2.366 10.526 1.00 54.40 O ATOM 642 CB LYS A 39 -14.927 -3.170 8.279 1.00 3.42 C ATOM 643 CG LYS A 39 -15.661 -2.809 6.966 1.00 12.21 C ATOM 644 CD LYS A 39 -17.145 -3.246 6.959 1.00 64.25 C ATOM 645 CE LYS A 39 -18.013 -2.458 7.959 1.00 4.24 C ATOM 646 NZ LYS A 39 -18.086 -1.011 7.617 1.00 72.02 N ATOM 0 H LYS A 39 -13.288 -3.972 6.604 1.00 43.25 H new ATOM 0 HA LYS A 39 -13.371 -1.669 8.246 1.00 54.24 H new ATOM 0 HB2 LYS A 39 -14.996 -4.246 8.435 1.00 3.42 H new ATOM 0 HB3 LYS A 39 -15.443 -2.693 9.112 1.00 3.42 H new ATOM 0 HG2 LYS A 39 -15.605 -1.732 6.810 1.00 12.21 H new ATOM 0 HG3 LYS A 39 -15.146 -3.279 6.128 1.00 12.21 H new ATOM 0 HD2 LYS A 39 -17.550 -3.117 5.955 1.00 64.25 H new ATOM 0 HD3 LYS A 39 -17.206 -4.309 7.194 1.00 64.25 H new ATOM 0 HE2 LYS A 39 -19.019 -2.878 7.975 1.00 4.24 H new ATOM 0 HE3 LYS A 39 -17.604 -2.573 8.963 1.00 4.24 H new ATOM 0 HZ1 LYS A 39 -18.796 -0.547 8.219 1.00 72.02 H new ATOM 0 HZ2 LYS A 39 -17.157 -0.570 7.774 1.00 72.02 H new ATOM 0 HZ3 LYS A 39 -18.355 -0.903 6.618 1.00 72.02 H new ATOM 660 N LYS A 40 -12.431 -4.504 9.726 1.00 32.10 N ATOM 661 CA LYS A 40 -11.818 -5.111 10.930 1.00 65.31 C ATOM 662 C LYS A 40 -10.458 -4.450 11.247 1.00 43.34 C ATOM 663 O LYS A 40 -10.206 -4.047 12.391 1.00 75.41 O ATOM 664 CB LYS A 40 -11.617 -6.647 10.745 1.00 73.42 C ATOM 665 CG LYS A 40 -12.890 -7.466 10.429 1.00 74.54 C ATOM 666 CD LYS A 40 -13.999 -7.340 11.497 1.00 20.22 C ATOM 667 CE LYS A 40 -15.181 -8.305 11.236 1.00 2.52 C ATOM 668 NZ LYS A 40 -15.763 -8.142 9.874 1.00 13.44 N ATOM 0 H LYS A 40 -12.569 -5.167 8.963 1.00 32.10 H new ATOM 0 HA LYS A 40 -12.501 -4.943 11.763 1.00 65.31 H new ATOM 0 HB2 LYS A 40 -10.899 -6.805 9.940 1.00 73.42 H new ATOM 0 HB3 LYS A 40 -11.169 -7.047 11.655 1.00 73.42 H new ATOM 0 HG2 LYS A 40 -13.288 -7.143 9.467 1.00 74.54 H new ATOM 0 HG3 LYS A 40 -12.618 -8.516 10.325 1.00 74.54 H new ATOM 0 HD2 LYS A 40 -13.577 -7.544 12.481 1.00 20.22 H new ATOM 0 HD3 LYS A 40 -14.368 -6.314 11.515 1.00 20.22 H new ATOM 0 HE2 LYS A 40 -14.841 -9.333 11.361 1.00 2.52 H new ATOM 0 HE3 LYS A 40 -15.957 -8.133 11.982 1.00 2.52 H new ATOM 0 HZ1 LYS A 40 -16.748 -8.476 9.875 1.00 13.44 H new ATOM 0 HZ2 LYS A 40 -15.739 -7.138 9.604 1.00 13.44 H new ATOM 0 HZ3 LYS A 40 -15.209 -8.698 9.191 1.00 13.44 H new ATOM 682 N GLU A 41 -9.620 -4.317 10.197 1.00 52.13 N ATOM 683 CA GLU A 41 -8.249 -3.776 10.295 1.00 54.25 C ATOM 684 C GLU A 41 -8.263 -2.299 10.724 1.00 31.33 C ATOM 685 O GLU A 41 -7.453 -1.879 11.556 1.00 53.13 O ATOM 686 CB GLU A 41 -7.512 -3.922 8.929 1.00 75.12 C ATOM 687 CG GLU A 41 -7.328 -5.378 8.440 1.00 12.41 C ATOM 688 CD GLU A 41 -6.524 -6.255 9.414 1.00 70.45 C ATOM 689 OE1 GLU A 41 -5.298 -6.072 9.511 1.00 54.35 O ATOM 690 OE2 GLU A 41 -7.108 -7.133 10.086 1.00 33.53 O ATOM 0 H GLU A 41 -9.880 -4.585 9.248 1.00 52.13 H new ATOM 0 HA GLU A 41 -7.717 -4.349 11.055 1.00 54.25 H new ATOM 0 HB2 GLU A 41 -8.067 -3.368 8.172 1.00 75.12 H new ATOM 0 HB3 GLU A 41 -6.531 -3.455 9.011 1.00 75.12 H new ATOM 0 HG2 GLU A 41 -8.309 -5.827 8.284 1.00 12.41 H new ATOM 0 HG3 GLU A 41 -6.825 -5.367 7.473 1.00 12.41 H new ATOM 697 N MET A 42 -9.213 -1.534 10.158 1.00 62.40 N ATOM 698 CA MET A 42 -9.334 -0.082 10.392 1.00 51.24 C ATOM 699 C MET A 42 -9.703 0.250 11.833 1.00 12.24 C ATOM 700 O MET A 42 -9.296 1.297 12.336 1.00 14.00 O ATOM 701 CB MET A 42 -10.356 0.550 9.401 1.00 63.45 C ATOM 702 CG MET A 42 -9.709 0.970 8.096 1.00 24.32 C ATOM 703 SD MET A 42 -8.441 2.217 8.408 1.00 63.42 S ATOM 704 CE MET A 42 -7.669 2.332 6.818 1.00 31.02 C ATOM 0 H MET A 42 -9.921 -1.905 9.524 1.00 62.40 H new ATOM 0 HA MET A 42 -8.351 0.352 10.211 1.00 51.24 H new ATOM 0 HB2 MET A 42 -11.150 -0.167 9.195 1.00 63.45 H new ATOM 0 HB3 MET A 42 -10.823 1.417 9.868 1.00 63.45 H new ATOM 0 HG2 MET A 42 -9.266 0.104 7.605 1.00 24.32 H new ATOM 0 HG3 MET A 42 -10.464 1.369 7.418 1.00 24.32 H new ATOM 0 HE1 MET A 42 -7.456 3.377 6.591 1.00 31.02 H new ATOM 0 HE2 MET A 42 -6.738 1.765 6.824 1.00 31.02 H new ATOM 0 HE3 MET A 42 -8.337 1.925 6.059 1.00 31.02 H new ATOM 714 N LYS A 43 -10.492 -0.625 12.478 1.00 63.43 N ATOM 715 CA LYS A 43 -10.829 -0.462 13.900 1.00 12.22 C ATOM 716 C LYS A 43 -9.578 -0.625 14.766 1.00 44.03 C ATOM 717 O LYS A 43 -9.379 0.140 15.692 1.00 54.34 O ATOM 718 CB LYS A 43 -11.941 -1.448 14.343 1.00 63.14 C ATOM 719 CG LYS A 43 -13.231 -1.342 13.502 1.00 11.50 C ATOM 720 CD LYS A 43 -13.853 0.085 13.507 1.00 3.11 C ATOM 721 CE LYS A 43 -14.862 0.292 12.362 1.00 74.34 C ATOM 722 NZ LYS A 43 -15.979 -0.691 12.396 1.00 14.31 N ATOM 0 H LYS A 43 -10.906 -1.448 12.040 1.00 63.43 H new ATOM 0 HA LYS A 43 -11.219 0.547 14.037 1.00 12.22 H new ATOM 0 HB2 LYS A 43 -11.558 -2.467 14.279 1.00 63.14 H new ATOM 0 HB3 LYS A 43 -12.183 -1.263 15.390 1.00 63.14 H new ATOM 0 HG2 LYS A 43 -13.011 -1.632 12.474 1.00 11.50 H new ATOM 0 HG3 LYS A 43 -13.965 -2.052 13.884 1.00 11.50 H new ATOM 0 HD2 LYS A 43 -14.351 0.258 14.461 1.00 3.11 H new ATOM 0 HD3 LYS A 43 -13.057 0.825 13.424 1.00 3.11 H new ATOM 0 HE2 LYS A 43 -15.270 1.301 12.421 1.00 74.34 H new ATOM 0 HE3 LYS A 43 -14.343 0.213 11.407 1.00 74.34 H new ATOM 0 HZ1 LYS A 43 -16.655 -0.475 11.635 1.00 14.31 H new ATOM 0 HZ2 LYS A 43 -15.601 -1.651 12.262 1.00 14.31 H new ATOM 0 HZ3 LYS A 43 -16.463 -0.635 13.315 1.00 14.31 H new ATOM 736 N LYS A 44 -8.705 -1.578 14.387 1.00 62.14 N ATOM 737 CA LYS A 44 -7.450 -1.875 15.109 1.00 50.31 C ATOM 738 C LYS A 44 -6.444 -0.697 14.978 1.00 70.53 C ATOM 739 O LYS A 44 -5.672 -0.417 15.911 1.00 52.24 O ATOM 740 CB LYS A 44 -6.834 -3.193 14.554 1.00 13.31 C ATOM 741 CG LYS A 44 -7.766 -4.449 14.578 1.00 11.40 C ATOM 742 CD LYS A 44 -7.791 -5.227 15.923 1.00 42.05 C ATOM 743 CE LYS A 44 -8.561 -4.533 17.063 1.00 2.12 C ATOM 744 NZ LYS A 44 -10.014 -4.377 16.776 1.00 4.32 N ATOM 0 H LYS A 44 -8.850 -2.167 13.567 1.00 62.14 H new ATOM 0 HA LYS A 44 -7.671 -2.003 16.169 1.00 50.31 H new ATOM 0 HB2 LYS A 44 -6.519 -3.018 13.525 1.00 13.31 H new ATOM 0 HB3 LYS A 44 -5.936 -3.421 15.128 1.00 13.31 H new ATOM 0 HG2 LYS A 44 -8.782 -4.133 14.340 1.00 11.40 H new ATOM 0 HG3 LYS A 44 -7.451 -5.131 13.788 1.00 11.40 H new ATOM 0 HD2 LYS A 44 -8.234 -6.208 15.750 1.00 42.05 H new ATOM 0 HD3 LYS A 44 -6.764 -5.394 16.248 1.00 42.05 H new ATOM 0 HE2 LYS A 44 -8.438 -5.109 17.980 1.00 2.12 H new ATOM 0 HE3 LYS A 44 -8.125 -3.550 17.243 1.00 2.12 H new ATOM 0 HZ1 LYS A 44 -10.302 -3.396 16.968 1.00 4.32 H new ATOM 0 HZ2 LYS A 44 -10.197 -4.603 15.777 1.00 4.32 H new ATOM 0 HZ3 LYS A 44 -10.559 -5.023 17.382 1.00 4.32 H new ATOM 758 N LEU A 45 -6.480 -0.014 13.814 1.00 14.03 N ATOM 759 CA LEU A 45 -5.630 1.164 13.525 1.00 74.34 C ATOM 760 C LEU A 45 -6.195 2.426 14.224 1.00 61.54 C ATOM 761 O LEU A 45 -5.433 3.285 14.687 1.00 4.15 O ATOM 762 CB LEU A 45 -5.532 1.388 11.985 1.00 41.14 C ATOM 763 CG LEU A 45 -4.903 0.215 11.158 1.00 3.15 C ATOM 764 CD1 LEU A 45 -4.932 0.514 9.641 1.00 32.52 C ATOM 765 CD2 LEU A 45 -3.470 -0.115 11.638 1.00 64.53 C ATOM 0 H LEU A 45 -7.101 -0.264 13.045 1.00 14.03 H new ATOM 0 HA LEU A 45 -4.629 0.978 13.915 1.00 74.34 H new ATOM 0 HB2 LEU A 45 -6.534 1.580 11.601 1.00 41.14 H new ATOM 0 HB3 LEU A 45 -4.944 2.288 11.806 1.00 41.14 H new ATOM 0 HG LEU A 45 -5.517 -0.669 11.331 1.00 3.15 H new ATOM 0 HD11 LEU A 45 -4.488 -0.320 9.097 1.00 32.52 H new ATOM 0 HD12 LEU A 45 -5.964 0.651 9.317 1.00 32.52 H new ATOM 0 HD13 LEU A 45 -4.365 1.422 9.438 1.00 32.52 H new ATOM 0 HD21 LEU A 45 -3.066 -0.933 11.042 1.00 64.53 H new ATOM 0 HD22 LEU A 45 -2.836 0.765 11.524 1.00 64.53 H new ATOM 0 HD23 LEU A 45 -3.496 -0.409 12.687 1.00 64.53 H new ATOM 777 N ALA A 46 -7.541 2.504 14.296 1.00 54.33 N ATOM 778 CA ALA A 46 -8.274 3.607 14.959 1.00 74.14 C ATOM 779 C ALA A 46 -8.172 3.511 16.494 1.00 13.42 C ATOM 780 O ALA A 46 -8.265 4.518 17.198 1.00 64.43 O ATOM 781 CB ALA A 46 -9.748 3.590 14.519 1.00 5.51 C ATOM 0 H ALA A 46 -8.156 1.797 13.892 1.00 54.33 H new ATOM 0 HA ALA A 46 -7.817 4.549 14.657 1.00 74.14 H new ATOM 0 HB1 ALA A 46 -10.283 4.403 15.009 1.00 5.51 H new ATOM 0 HB2 ALA A 46 -9.806 3.717 13.438 1.00 5.51 H new ATOM 0 HB3 ALA A 46 -10.200 2.638 14.798 1.00 5.51 H new ATOM 787 N GLU A 47 -7.986 2.272 16.986 1.00 23.43 N ATOM 788 CA GLU A 47 -7.730 1.974 18.412 1.00 23.04 C ATOM 789 C GLU A 47 -6.272 2.300 18.794 1.00 11.01 C ATOM 790 O GLU A 47 -5.917 2.261 19.982 1.00 70.12 O ATOM 791 CB GLU A 47 -8.063 0.482 18.702 1.00 42.22 C ATOM 792 CG GLU A 47 -9.580 0.173 18.737 1.00 20.12 C ATOM 793 CD GLU A 47 -9.909 -1.328 18.736 1.00 25.21 C ATOM 794 OE1 GLU A 47 -9.433 -2.051 19.632 1.00 71.13 O ATOM 795 OE2 GLU A 47 -10.642 -1.796 17.837 1.00 12.14 O ATOM 0 H GLU A 47 -8.009 1.438 16.399 1.00 23.43 H new ATOM 0 HA GLU A 47 -8.375 2.605 19.024 1.00 23.04 H new ATOM 0 HB2 GLU A 47 -7.593 -0.140 17.940 1.00 42.22 H new ATOM 0 HB3 GLU A 47 -7.623 0.201 19.659 1.00 42.22 H new ATOM 0 HG2 GLU A 47 -10.014 0.630 19.627 1.00 20.12 H new ATOM 0 HG3 GLU A 47 -10.056 0.640 17.875 1.00 20.12 H new ATOM 802 N GLU A 48 -5.449 2.624 17.768 1.00 44.03 N ATOM 803 CA GLU A 48 -4.039 3.019 17.918 1.00 31.34 C ATOM 804 C GLU A 48 -3.212 1.927 18.625 1.00 72.34 C ATOM 805 O GLU A 48 -2.302 2.226 19.406 1.00 55.32 O ATOM 806 CB GLU A 48 -3.929 4.390 18.639 1.00 73.52 C ATOM 807 CG GLU A 48 -4.704 5.533 17.945 1.00 31.05 C ATOM 808 CD GLU A 48 -4.506 6.885 18.642 1.00 54.53 C ATOM 809 OE1 GLU A 48 -3.422 7.475 18.480 1.00 21.02 O ATOM 810 OE2 GLU A 48 -5.410 7.351 19.372 1.00 72.44 O ATOM 0 H GLU A 48 -5.759 2.616 16.796 1.00 44.03 H new ATOM 0 HA GLU A 48 -3.613 3.133 16.921 1.00 31.34 H new ATOM 0 HB2 GLU A 48 -4.298 4.282 19.659 1.00 73.52 H new ATOM 0 HB3 GLU A 48 -2.877 4.668 18.708 1.00 73.52 H new ATOM 0 HG2 GLU A 48 -4.378 5.611 16.908 1.00 31.05 H new ATOM 0 HG3 GLU A 48 -5.766 5.289 17.927 1.00 31.05 H new ATOM 817 N LYS A 49 -3.543 0.657 18.320 1.00 63.31 N ATOM 818 CA LYS A 49 -2.873 -0.515 18.905 1.00 52.11 C ATOM 819 C LYS A 49 -1.394 -0.580 18.459 1.00 70.13 C ATOM 820 O LYS A 49 -1.104 -1.041 17.345 1.00 11.53 O ATOM 821 CB LYS A 49 -3.621 -1.817 18.513 1.00 73.54 C ATOM 822 CG LYS A 49 -2.992 -3.106 19.101 1.00 23.45 C ATOM 823 CD LYS A 49 -3.663 -4.399 18.593 1.00 22.23 C ATOM 824 CE LYS A 49 -3.570 -4.566 17.063 1.00 45.51 C ATOM 825 NZ LYS A 49 -4.171 -5.845 16.604 1.00 35.41 N ATOM 0 H LYS A 49 -4.283 0.418 17.660 1.00 63.31 H new ATOM 0 HA LYS A 49 -2.895 -0.417 19.990 1.00 52.11 H new ATOM 0 HB2 LYS A 49 -4.656 -1.744 18.848 1.00 73.54 H new ATOM 0 HB3 LYS A 49 -3.643 -1.898 17.426 1.00 73.54 H new ATOM 0 HG2 LYS A 49 -1.932 -3.132 18.849 1.00 23.45 H new ATOM 0 HG3 LYS A 49 -3.061 -3.072 20.188 1.00 23.45 H new ATOM 0 HD2 LYS A 49 -3.196 -5.258 19.076 1.00 22.23 H new ATOM 0 HD3 LYS A 49 -4.712 -4.398 18.890 1.00 22.23 H new ATOM 0 HE2 LYS A 49 -4.076 -3.732 16.576 1.00 45.51 H new ATOM 0 HE3 LYS A 49 -2.525 -4.527 16.757 1.00 45.51 H new ATOM 0 HZ1 LYS A 49 -4.521 -5.735 15.631 1.00 35.41 H new ATOM 0 HZ2 LYS A 49 -3.452 -6.596 16.630 1.00 35.41 H new ATOM 0 HZ3 LYS A 49 -4.962 -6.101 17.229 1.00 35.41 H new ATOM 839 N ASN A 50 -0.498 -0.056 19.329 1.00 23.32 N ATOM 840 CA ASN A 50 0.978 -0.077 19.153 1.00 71.34 C ATOM 841 C ASN A 50 1.439 0.806 17.966 1.00 20.33 C ATOM 842 O ASN A 50 1.059 0.570 16.814 1.00 43.40 O ATOM 843 CB ASN A 50 1.510 -1.535 19.003 1.00 61.11 C ATOM 844 CG ASN A 50 1.216 -2.422 20.218 1.00 55.02 C ATOM 845 OD1 ASN A 50 1.204 -1.961 21.365 1.00 74.25 O ATOM 846 ND2 ASN A 50 0.965 -3.699 19.971 1.00 61.22 N ATOM 0 H ASN A 50 -0.786 0.404 20.193 1.00 23.32 H new ATOM 0 HA ASN A 50 1.409 0.350 20.058 1.00 71.34 H new ATOM 0 HB2 ASN A 50 1.064 -1.987 18.117 1.00 61.11 H new ATOM 0 HB3 ASN A 50 2.587 -1.505 18.837 1.00 61.11 H new ATOM 0 HD21 ASN A 50 0.753 -4.335 20.740 1.00 61.22 H new ATOM 0 HD22 ASN A 50 0.983 -4.046 19.012 1.00 61.22 H new ATOM 853 N PHE A 51 2.272 1.830 18.255 1.00 12.23 N ATOM 854 CA PHE A 51 2.822 2.723 17.222 1.00 64.35 C ATOM 855 C PHE A 51 3.871 1.957 16.372 1.00 51.04 C ATOM 856 O PHE A 51 4.999 1.705 16.806 1.00 22.11 O ATOM 857 CB PHE A 51 3.385 4.039 17.854 1.00 41.32 C ATOM 858 CG PHE A 51 4.559 3.894 18.841 1.00 74.11 C ATOM 859 CD1 PHE A 51 4.367 3.370 20.120 1.00 13.44 C ATOM 860 CD2 PHE A 51 5.850 4.298 18.489 1.00 40.14 C ATOM 861 CE1 PHE A 51 5.417 3.252 21.010 1.00 2.51 C ATOM 862 CE2 PHE A 51 6.898 4.177 19.380 1.00 40.22 C ATOM 863 CZ PHE A 51 6.684 3.655 20.641 1.00 44.40 C ATOM 0 H PHE A 51 2.577 2.056 19.202 1.00 12.23 H new ATOM 0 HA PHE A 51 2.024 3.035 16.549 1.00 64.35 H new ATOM 0 HB2 PHE A 51 3.703 4.695 17.044 1.00 41.32 H new ATOM 0 HB3 PHE A 51 2.568 4.543 18.371 1.00 41.32 H new ATOM 0 HD1 PHE A 51 3.380 3.051 20.420 1.00 13.44 H new ATOM 0 HD2 PHE A 51 6.030 4.710 17.507 1.00 40.14 H new ATOM 0 HE1 PHE A 51 5.246 2.844 21.995 1.00 2.51 H new ATOM 0 HE2 PHE A 51 7.889 4.492 19.090 1.00 40.22 H new ATOM 0 HZ PHE A 51 7.506 3.563 21.336 1.00 44.40 H new ATOM 873 N GLU A 52 3.450 1.541 15.165 1.00 55.43 N ATOM 874 CA GLU A 52 4.207 0.598 14.312 1.00 65.43 C ATOM 875 C GLU A 52 4.183 1.038 12.844 1.00 3.14 C ATOM 876 O GLU A 52 3.305 1.800 12.423 1.00 41.14 O ATOM 877 CB GLU A 52 3.583 -0.822 14.395 1.00 32.14 C ATOM 878 CG GLU A 52 3.602 -1.480 15.783 1.00 23.12 C ATOM 879 CD GLU A 52 2.817 -2.801 15.811 1.00 33.12 C ATOM 880 OE1 GLU A 52 1.565 -2.762 15.802 1.00 34.12 O ATOM 881 OE2 GLU A 52 3.437 -3.878 15.821 1.00 45.21 O ATOM 0 H GLU A 52 2.571 1.849 14.749 1.00 55.43 H new ATOM 0 HA GLU A 52 5.235 0.587 14.675 1.00 65.43 H new ATOM 0 HB2 GLU A 52 2.549 -0.764 14.055 1.00 32.14 H new ATOM 0 HB3 GLU A 52 4.112 -1.472 13.698 1.00 32.14 H new ATOM 0 HG2 GLU A 52 4.634 -1.666 16.081 1.00 23.12 H new ATOM 0 HG3 GLU A 52 3.178 -0.792 16.515 1.00 23.12 H new ATOM 888 N LYS A 53 5.141 0.509 12.073 1.00 21.51 N ATOM 889 CA LYS A 53 5.166 0.640 10.611 1.00 64.13 C ATOM 890 C LYS A 53 4.441 -0.586 10.024 1.00 61.14 C ATOM 891 O LYS A 53 5.025 -1.677 9.915 1.00 44.01 O ATOM 892 CB LYS A 53 6.625 0.738 10.054 1.00 20.13 C ATOM 893 CG LYS A 53 7.432 2.012 10.429 1.00 43.44 C ATOM 894 CD LYS A 53 7.767 2.126 11.932 1.00 14.32 C ATOM 895 CE LYS A 53 8.558 0.917 12.467 1.00 22.44 C ATOM 896 NZ LYS A 53 9.869 0.765 11.798 1.00 12.12 N ATOM 0 H LYS A 53 5.925 -0.025 12.448 1.00 21.51 H new ATOM 0 HA LYS A 53 4.666 1.564 10.320 1.00 64.13 H new ATOM 0 HB2 LYS A 53 7.181 -0.132 10.403 1.00 20.13 H new ATOM 0 HB3 LYS A 53 6.579 0.672 8.967 1.00 20.13 H new ATOM 0 HG2 LYS A 53 8.361 2.022 9.859 1.00 43.44 H new ATOM 0 HG3 LYS A 53 6.863 2.891 10.127 1.00 43.44 H new ATOM 0 HD2 LYS A 53 8.345 3.035 12.102 1.00 14.32 H new ATOM 0 HD3 LYS A 53 6.841 2.226 12.498 1.00 14.32 H new ATOM 0 HE2 LYS A 53 8.711 1.031 13.540 1.00 22.44 H new ATOM 0 HE3 LYS A 53 7.972 0.009 12.324 1.00 22.44 H new ATOM 0 HZ1 LYS A 53 10.564 0.394 12.477 1.00 12.12 H new ATOM 0 HZ2 LYS A 53 9.777 0.104 11.000 1.00 12.12 H new ATOM 0 HZ3 LYS A 53 10.188 1.690 11.446 1.00 12.12 H new ATOM 910 N ILE A 54 3.150 -0.410 9.710 1.00 1.50 N ATOM 911 CA ILE A 54 2.282 -1.484 9.199 1.00 20.23 C ATOM 912 C ILE A 54 2.236 -1.396 7.671 1.00 62.11 C ATOM 913 O ILE A 54 2.046 -0.311 7.122 1.00 44.12 O ATOM 914 CB ILE A 54 0.816 -1.368 9.777 1.00 20.25 C ATOM 915 CG1 ILE A 54 0.834 -1.256 11.338 1.00 53.54 C ATOM 916 CG2 ILE A 54 -0.067 -2.558 9.319 1.00 1.03 C ATOM 917 CD1 ILE A 54 1.421 -2.457 12.052 1.00 23.04 C ATOM 0 H ILE A 54 2.674 0.487 9.804 1.00 1.50 H new ATOM 0 HA ILE A 54 2.692 -2.443 9.517 1.00 20.23 H new ATOM 0 HB ILE A 54 0.376 -0.454 9.377 1.00 20.25 H new ATOM 0 HG12 ILE A 54 1.403 -0.370 11.619 1.00 53.54 H new ATOM 0 HG13 ILE A 54 -0.186 -1.104 11.690 1.00 53.54 H new ATOM 0 HG21 ILE A 54 -1.069 -2.448 9.734 1.00 1.03 H new ATOM 0 HG22 ILE A 54 -0.124 -2.571 8.231 1.00 1.03 H new ATOM 0 HG23 ILE A 54 0.371 -3.492 9.671 1.00 1.03 H new ATOM 0 HD11 ILE A 54 1.392 -2.290 13.129 1.00 23.04 H new ATOM 0 HD12 ILE A 54 0.840 -3.346 11.807 1.00 23.04 H new ATOM 0 HD13 ILE A 54 2.454 -2.600 11.735 1.00 23.04 H new ATOM 929 N LEU A 55 2.418 -2.528 6.987 1.00 75.23 N ATOM 930 CA LEU A 55 2.316 -2.594 5.528 1.00 14.43 C ATOM 931 C LEU A 55 0.991 -3.274 5.171 1.00 55.50 C ATOM 932 O LEU A 55 0.777 -4.438 5.516 1.00 2.21 O ATOM 933 CB LEU A 55 3.551 -3.327 4.935 1.00 11.11 C ATOM 934 CG LEU A 55 3.740 -3.208 3.374 1.00 22.21 C ATOM 935 CD1 LEU A 55 5.222 -3.269 2.981 1.00 32.21 C ATOM 936 CD2 LEU A 55 2.935 -4.276 2.599 1.00 53.00 C ATOM 0 H LEU A 55 2.639 -3.421 7.427 1.00 75.23 H new ATOM 0 HA LEU A 55 2.317 -1.596 5.090 1.00 14.43 H new ATOM 0 HB2 LEU A 55 4.447 -2.939 5.420 1.00 11.11 H new ATOM 0 HB3 LEU A 55 3.480 -4.384 5.193 1.00 11.11 H new ATOM 0 HG LEU A 55 3.346 -2.231 3.092 1.00 22.21 H new ATOM 0 HD11 LEU A 55 5.315 -3.184 1.898 1.00 32.21 H new ATOM 0 HD12 LEU A 55 5.759 -2.448 3.457 1.00 32.21 H new ATOM 0 HD13 LEU A 55 5.646 -4.218 3.308 1.00 32.21 H new ATOM 0 HD21 LEU A 55 3.100 -4.150 1.529 1.00 53.00 H new ATOM 0 HD22 LEU A 55 3.263 -5.270 2.902 1.00 53.00 H new ATOM 0 HD23 LEU A 55 1.873 -4.162 2.819 1.00 53.00 H new ATOM 948 N ILE A 56 0.104 -2.535 4.487 1.00 53.43 N ATOM 949 CA ILE A 56 -1.209 -3.031 4.068 1.00 42.53 C ATOM 950 C ILE A 56 -1.157 -3.383 2.567 1.00 22.35 C ATOM 951 O ILE A 56 -0.999 -2.490 1.723 1.00 34.53 O ATOM 952 CB ILE A 56 -2.354 -1.972 4.321 1.00 71.10 C ATOM 953 CG1 ILE A 56 -2.392 -1.487 5.812 1.00 32.52 C ATOM 954 CG2 ILE A 56 -3.739 -2.536 3.890 1.00 13.21 C ATOM 955 CD1 ILE A 56 -2.793 -2.543 6.828 1.00 75.24 C ATOM 0 H ILE A 56 0.282 -1.570 4.209 1.00 53.43 H new ATOM 0 HA ILE A 56 -1.441 -3.914 4.664 1.00 42.53 H new ATOM 0 HB ILE A 56 -2.126 -1.103 3.704 1.00 71.10 H new ATOM 0 HG12 ILE A 56 -1.406 -1.106 6.078 1.00 32.52 H new ATOM 0 HG13 ILE A 56 -3.088 -0.651 5.887 1.00 32.52 H new ATOM 0 HG21 ILE A 56 -4.510 -1.788 4.074 1.00 13.21 H new ATOM 0 HG22 ILE A 56 -3.718 -2.781 2.828 1.00 13.21 H new ATOM 0 HG23 ILE A 56 -3.961 -3.435 4.465 1.00 13.21 H new ATOM 0 HD11 ILE A 56 -2.788 -2.107 7.827 1.00 75.24 H new ATOM 0 HD12 ILE A 56 -3.793 -2.909 6.597 1.00 75.24 H new ATOM 0 HD13 ILE A 56 -2.085 -3.371 6.790 1.00 75.24 H new ATOM 967 N ILE A 57 -1.268 -4.682 2.242 1.00 73.10 N ATOM 968 CA ILE A 57 -1.435 -5.130 0.849 1.00 14.24 C ATOM 969 C ILE A 57 -2.940 -5.168 0.541 1.00 32.51 C ATOM 970 O ILE A 57 -3.721 -5.678 1.341 1.00 13.11 O ATOM 971 CB ILE A 57 -0.795 -6.544 0.566 1.00 42.22 C ATOM 972 CG1 ILE A 57 0.717 -6.549 0.944 1.00 1.35 C ATOM 973 CG2 ILE A 57 -0.991 -6.953 -0.922 1.00 11.34 C ATOM 974 CD1 ILE A 57 1.415 -7.890 0.772 1.00 52.10 C ATOM 0 H ILE A 57 -1.245 -5.440 2.924 1.00 73.10 H new ATOM 0 HA ILE A 57 -0.910 -4.426 0.203 1.00 14.24 H new ATOM 0 HB ILE A 57 -1.306 -7.278 1.189 1.00 42.22 H new ATOM 0 HG12 ILE A 57 1.232 -5.807 0.334 1.00 1.35 H new ATOM 0 HG13 ILE A 57 0.818 -6.234 1.982 1.00 1.35 H new ATOM 0 HG21 ILE A 57 -0.541 -7.931 -1.093 1.00 11.34 H new ATOM 0 HG22 ILE A 57 -2.056 -6.998 -1.150 1.00 11.34 H new ATOM 0 HG23 ILE A 57 -0.513 -6.216 -1.568 1.00 11.34 H new ATOM 0 HD11 ILE A 57 2.462 -7.795 1.059 1.00 52.10 H new ATOM 0 HD12 ILE A 57 0.932 -8.635 1.404 1.00 52.10 H new ATOM 0 HD13 ILE A 57 1.352 -8.202 -0.270 1.00 52.10 H new ATOM 986 N SER A 58 -3.330 -4.618 -0.607 1.00 44.13 N ATOM 987 CA SER A 58 -4.717 -4.608 -1.076 1.00 24.45 C ATOM 988 C SER A 58 -4.719 -5.023 -2.549 1.00 15.13 C ATOM 989 O SER A 58 -4.093 -4.364 -3.379 1.00 24.23 O ATOM 990 CB SER A 58 -5.321 -3.196 -0.881 1.00 25.04 C ATOM 991 OG SER A 58 -6.675 -3.151 -1.280 1.00 32.20 O ATOM 0 H SER A 58 -2.683 -4.159 -1.248 1.00 44.13 H new ATOM 0 HA SER A 58 -5.330 -5.307 -0.507 1.00 24.45 H new ATOM 0 HB2 SER A 58 -5.240 -2.906 0.167 1.00 25.04 H new ATOM 0 HB3 SER A 58 -4.747 -2.471 -1.458 1.00 25.04 H new ATOM 0 HG SER A 58 -6.727 -2.966 -2.241 1.00 32.20 H new ATOM 997 N ASN A 59 -5.392 -6.137 -2.863 1.00 2.21 N ATOM 998 CA ASN A 59 -5.452 -6.681 -4.239 1.00 63.21 C ATOM 999 C ASN A 59 -6.539 -5.991 -5.083 1.00 31.24 C ATOM 1000 O ASN A 59 -6.475 -6.004 -6.319 1.00 11.20 O ATOM 1001 CB ASN A 59 -5.658 -8.223 -4.194 1.00 13.45 C ATOM 1002 CG ASN A 59 -6.810 -8.701 -3.293 1.00 64.53 C ATOM 1003 OD1 ASN A 59 -7.805 -8.003 -3.074 1.00 1.24 O ATOM 1004 ND2 ASN A 59 -6.679 -9.907 -2.765 1.00 52.14 N ATOM 0 H ASN A 59 -5.910 -6.689 -2.179 1.00 2.21 H new ATOM 0 HA ASN A 59 -4.500 -6.472 -4.728 1.00 63.21 H new ATOM 0 HB2 ASN A 59 -5.838 -8.580 -5.208 1.00 13.45 H new ATOM 0 HB3 ASN A 59 -4.733 -8.688 -3.852 1.00 13.45 H new ATOM 0 HD21 ASN A 59 -7.410 -10.281 -2.161 1.00 52.14 H new ATOM 0 HD22 ASN A 59 -5.847 -10.463 -2.962 1.00 52.14 H new ATOM 1011 N ASP A 60 -7.528 -5.393 -4.401 1.00 73.43 N ATOM 1012 CA ASP A 60 -8.649 -4.684 -5.036 1.00 44.53 C ATOM 1013 C ASP A 60 -8.446 -3.169 -4.877 1.00 62.13 C ATOM 1014 O ASP A 60 -7.998 -2.692 -3.825 1.00 63.22 O ATOM 1015 CB ASP A 60 -9.988 -5.161 -4.411 1.00 43.12 C ATOM 1016 CG ASP A 60 -11.225 -4.360 -4.869 1.00 4.12 C ATOM 1017 OD1 ASP A 60 -11.671 -4.527 -6.018 1.00 64.40 O ATOM 1018 OD2 ASP A 60 -11.752 -3.555 -4.083 1.00 72.03 O ATOM 0 H ASP A 60 -7.572 -5.388 -3.382 1.00 73.43 H new ATOM 0 HA ASP A 60 -8.685 -4.907 -6.102 1.00 44.53 H new ATOM 0 HB2 ASP A 60 -10.138 -6.212 -4.660 1.00 43.12 H new ATOM 0 HB3 ASP A 60 -9.911 -5.099 -3.326 1.00 43.12 H new ATOM 1023 N LYS A 61 -8.789 -2.423 -5.936 1.00 33.31 N ATOM 1024 CA LYS A 61 -8.526 -0.978 -6.033 1.00 52.22 C ATOM 1025 C LYS A 61 -9.534 -0.157 -5.218 1.00 24.11 C ATOM 1026 O LYS A 61 -9.185 0.909 -4.694 1.00 51.12 O ATOM 1027 CB LYS A 61 -8.551 -0.543 -7.514 1.00 70.40 C ATOM 1028 CG LYS A 61 -7.506 -1.271 -8.379 1.00 61.33 C ATOM 1029 CD LYS A 61 -7.493 -0.784 -9.842 1.00 52.53 C ATOM 1030 CE LYS A 61 -6.435 -1.511 -10.681 1.00 74.41 C ATOM 1031 NZ LYS A 61 -5.055 -1.295 -10.162 1.00 13.21 N ATOM 0 H LYS A 61 -9.260 -2.806 -6.756 1.00 33.31 H new ATOM 0 HA LYS A 61 -7.538 -0.787 -5.613 1.00 52.22 H new ATOM 0 HB2 LYS A 61 -9.544 -0.728 -7.923 1.00 70.40 H new ATOM 0 HB3 LYS A 61 -8.377 0.531 -7.573 1.00 70.40 H new ATOM 0 HG2 LYS A 61 -6.517 -1.126 -7.944 1.00 61.33 H new ATOM 0 HG3 LYS A 61 -7.708 -2.342 -8.360 1.00 61.33 H new ATOM 0 HD2 LYS A 61 -8.477 -0.940 -10.285 1.00 52.53 H new ATOM 0 HD3 LYS A 61 -7.300 0.288 -9.865 1.00 52.53 H new ATOM 0 HE2 LYS A 61 -6.654 -2.579 -10.692 1.00 74.41 H new ATOM 0 HE3 LYS A 61 -6.491 -1.164 -11.713 1.00 74.41 H new ATOM 0 HZ1 LYS A 61 -4.378 -1.833 -10.741 1.00 13.21 H new ATOM 0 HZ2 LYS A 61 -4.822 -0.283 -10.207 1.00 13.21 H new ATOM 0 HZ3 LYS A 61 -5.001 -1.619 -9.175 1.00 13.21 H new ATOM 1045 N GLN A 62 -10.776 -0.667 -5.102 1.00 20.34 N ATOM 1046 CA GLN A 62 -11.837 -0.004 -4.328 1.00 21.43 C ATOM 1047 C GLN A 62 -11.490 -0.086 -2.833 1.00 61.32 C ATOM 1048 O GLN A 62 -11.709 0.874 -2.103 1.00 34.52 O ATOM 1049 CB GLN A 62 -13.228 -0.633 -4.626 1.00 71.11 C ATOM 1050 CG GLN A 62 -14.428 0.020 -3.890 1.00 45.22 C ATOM 1051 CD GLN A 62 -14.649 1.501 -4.237 1.00 62.11 C ATOM 1052 OE1 GLN A 62 -14.349 1.953 -5.342 1.00 21.54 O ATOM 1053 NE2 GLN A 62 -15.186 2.260 -3.299 1.00 74.23 N ATOM 0 H GLN A 62 -11.067 -1.542 -5.539 1.00 20.34 H new ATOM 0 HA GLN A 62 -11.898 1.044 -4.622 1.00 21.43 H new ATOM 0 HB2 GLN A 62 -13.409 -0.579 -5.699 1.00 71.11 H new ATOM 0 HB3 GLN A 62 -13.194 -1.690 -4.362 1.00 71.11 H new ATOM 0 HG2 GLN A 62 -15.334 -0.537 -4.130 1.00 45.22 H new ATOM 0 HG3 GLN A 62 -14.273 -0.071 -2.815 1.00 45.22 H new ATOM 0 HE21 GLN A 62 -15.425 1.858 -2.392 1.00 74.23 H new ATOM 0 HE22 GLN A 62 -15.362 3.248 -3.481 1.00 74.23 H new ATOM 1062 N LEU A 63 -10.893 -1.232 -2.411 1.00 63.24 N ATOM 1063 CA LEU A 63 -10.376 -1.427 -1.040 1.00 71.21 C ATOM 1064 C LEU A 63 -9.315 -0.379 -0.701 1.00 42.11 C ATOM 1065 O LEU A 63 -9.298 0.141 0.409 1.00 75.25 O ATOM 1066 CB LEU A 63 -9.763 -2.845 -0.865 1.00 60.33 C ATOM 1067 CG LEU A 63 -10.758 -4.037 -0.850 1.00 71.12 C ATOM 1068 CD1 LEU A 63 -10.012 -5.384 -0.775 1.00 52.22 C ATOM 1069 CD2 LEU A 63 -11.761 -3.895 0.307 1.00 22.44 C ATOM 0 H LEU A 63 -10.759 -2.043 -3.015 1.00 63.24 H new ATOM 0 HA LEU A 63 -11.221 -1.318 -0.361 1.00 71.21 H new ATOM 0 HB2 LEU A 63 -9.048 -3.009 -1.671 1.00 60.33 H new ATOM 0 HB3 LEU A 63 -9.200 -2.860 0.068 1.00 60.33 H new ATOM 0 HG LEU A 63 -11.317 -4.021 -1.786 1.00 71.12 H new ATOM 0 HD11 LEU A 63 -10.735 -6.200 -0.766 1.00 52.22 H new ATOM 0 HD12 LEU A 63 -9.359 -5.487 -1.642 1.00 52.22 H new ATOM 0 HD13 LEU A 63 -9.414 -5.419 0.136 1.00 52.22 H new ATOM 0 HD21 LEU A 63 -12.448 -4.741 0.298 1.00 22.44 H new ATOM 0 HD22 LEU A 63 -11.223 -3.874 1.255 1.00 22.44 H new ATOM 0 HD23 LEU A 63 -12.324 -2.969 0.189 1.00 22.44 H new ATOM 1081 N LEU A 64 -8.431 -0.090 -1.675 1.00 72.34 N ATOM 1082 CA LEU A 64 -7.388 0.935 -1.527 1.00 62.01 C ATOM 1083 C LEU A 64 -8.018 2.317 -1.286 1.00 54.31 C ATOM 1084 O LEU A 64 -7.579 3.052 -0.401 1.00 63.03 O ATOM 1085 CB LEU A 64 -6.460 0.939 -2.779 1.00 40.10 C ATOM 1086 CG LEU A 64 -5.334 2.050 -2.841 1.00 0.54 C ATOM 1087 CD1 LEU A 64 -4.126 1.572 -3.645 1.00 51.33 C ATOM 1088 CD2 LEU A 64 -5.848 3.386 -3.442 1.00 74.12 C ATOM 0 H LEU A 64 -8.422 -0.559 -2.581 1.00 72.34 H new ATOM 0 HA LEU A 64 -6.777 0.697 -0.656 1.00 62.01 H new ATOM 0 HB2 LEU A 64 -5.977 -0.036 -2.844 1.00 40.10 H new ATOM 0 HB3 LEU A 64 -7.087 1.044 -3.664 1.00 40.10 H new ATOM 0 HG LEU A 64 -5.037 2.232 -1.808 1.00 0.54 H new ATOM 0 HD11 LEU A 64 -3.371 2.358 -3.669 1.00 51.33 H new ATOM 0 HD12 LEU A 64 -3.708 0.680 -3.178 1.00 51.33 H new ATOM 0 HD13 LEU A 64 -4.437 1.336 -4.663 1.00 51.33 H new ATOM 0 HD21 LEU A 64 -5.036 4.113 -3.461 1.00 74.12 H new ATOM 0 HD22 LEU A 64 -6.206 3.215 -4.457 1.00 74.12 H new ATOM 0 HD23 LEU A 64 -6.664 3.770 -2.830 1.00 74.12 H new ATOM 1100 N LYS A 65 -9.022 2.664 -2.112 1.00 2.14 N ATOM 1101 CA LYS A 65 -9.683 3.981 -2.062 1.00 33.31 C ATOM 1102 C LYS A 65 -10.359 4.206 -0.700 1.00 75.14 C ATOM 1103 O LYS A 65 -10.086 5.213 -0.035 1.00 3.34 O ATOM 1104 CB LYS A 65 -10.697 4.113 -3.225 1.00 35.11 C ATOM 1105 CG LYS A 65 -10.043 4.087 -4.621 1.00 23.13 C ATOM 1106 CD LYS A 65 -11.074 4.144 -5.772 1.00 41.21 C ATOM 1107 CE LYS A 65 -11.910 5.440 -5.785 1.00 21.51 C ATOM 1108 NZ LYS A 65 -12.850 5.480 -6.940 1.00 71.22 N ATOM 0 H LYS A 65 -9.396 2.043 -2.829 1.00 2.14 H new ATOM 0 HA LYS A 65 -8.926 4.756 -2.181 1.00 33.31 H new ATOM 0 HB2 LYS A 65 -11.422 3.302 -3.158 1.00 35.11 H new ATOM 0 HB3 LYS A 65 -11.250 5.045 -3.110 1.00 35.11 H new ATOM 0 HG2 LYS A 65 -9.359 4.931 -4.711 1.00 23.13 H new ATOM 0 HG3 LYS A 65 -9.446 3.180 -4.720 1.00 23.13 H new ATOM 0 HD2 LYS A 65 -10.550 4.049 -6.723 1.00 41.21 H new ATOM 0 HD3 LYS A 65 -11.745 3.289 -5.691 1.00 41.21 H new ATOM 0 HE2 LYS A 65 -12.473 5.519 -4.855 1.00 21.51 H new ATOM 0 HE3 LYS A 65 -11.244 6.302 -5.828 1.00 21.51 H new ATOM 0 HZ1 LYS A 65 -13.394 6.366 -6.914 1.00 71.22 H new ATOM 0 HZ2 LYS A 65 -12.311 5.430 -7.828 1.00 71.22 H new ATOM 0 HZ3 LYS A 65 -13.502 4.672 -6.885 1.00 71.22 H new ATOM 1122 N GLU A 66 -11.191 3.226 -0.289 1.00 44.50 N ATOM 1123 CA GLU A 66 -11.859 3.209 1.027 1.00 40.24 C ATOM 1124 C GLU A 66 -10.825 3.371 2.158 1.00 24.42 C ATOM 1125 O GLU A 66 -11.010 4.191 3.064 1.00 12.03 O ATOM 1126 CB GLU A 66 -12.628 1.872 1.228 1.00 4.34 C ATOM 1127 CG GLU A 66 -13.734 1.568 0.196 1.00 51.01 C ATOM 1128 CD GLU A 66 -14.910 2.550 0.245 1.00 64.41 C ATOM 1129 OE1 GLU A 66 -15.777 2.407 1.136 1.00 4.24 O ATOM 1130 OE2 GLU A 66 -14.982 3.462 -0.602 1.00 41.31 O ATOM 0 H GLU A 66 -11.419 2.418 -0.868 1.00 44.50 H new ATOM 0 HA GLU A 66 -12.563 4.040 1.059 1.00 40.24 H new ATOM 0 HB2 GLU A 66 -11.907 1.055 1.210 1.00 4.34 H new ATOM 0 HB3 GLU A 66 -13.077 1.880 2.221 1.00 4.34 H new ATOM 0 HG2 GLU A 66 -13.300 1.584 -0.804 1.00 51.01 H new ATOM 0 HG3 GLU A 66 -14.108 0.558 0.365 1.00 51.01 H new ATOM 1137 N MET A 67 -9.728 2.588 2.045 1.00 24.21 N ATOM 1138 CA MET A 67 -8.627 2.552 3.020 1.00 65.23 C ATOM 1139 C MET A 67 -8.056 3.963 3.242 1.00 23.31 C ATOM 1140 O MET A 67 -8.084 4.465 4.357 1.00 35.34 O ATOM 1141 CB MET A 67 -7.498 1.605 2.516 1.00 34.43 C ATOM 1142 CG MET A 67 -6.506 1.133 3.587 1.00 1.14 C ATOM 1143 SD MET A 67 -7.184 -0.178 4.631 1.00 53.14 S ATOM 1144 CE MET A 67 -7.380 -1.515 3.447 1.00 73.23 C ATOM 0 H MET A 67 -9.586 1.955 1.258 1.00 24.21 H new ATOM 0 HA MET A 67 -9.018 2.177 3.966 1.00 65.23 H new ATOM 0 HB2 MET A 67 -7.959 0.728 2.061 1.00 34.43 H new ATOM 0 HB3 MET A 67 -6.942 2.117 1.731 1.00 34.43 H new ATOM 0 HG2 MET A 67 -5.598 0.774 3.103 1.00 1.14 H new ATOM 0 HG3 MET A 67 -6.221 1.980 4.212 1.00 1.14 H new ATOM 0 HE1 MET A 67 -8.375 -1.948 3.549 1.00 73.23 H new ATOM 0 HE2 MET A 67 -7.255 -1.127 2.436 1.00 73.23 H new ATOM 0 HE3 MET A 67 -6.629 -2.282 3.637 1.00 73.23 H new ATOM 1154 N LEU A 68 -7.619 4.610 2.141 1.00 53.43 N ATOM 1155 CA LEU A 68 -6.915 5.908 2.177 1.00 44.12 C ATOM 1156 C LEU A 68 -7.799 7.041 2.723 1.00 73.32 C ATOM 1157 O LEU A 68 -7.294 7.938 3.396 1.00 33.34 O ATOM 1158 CB LEU A 68 -6.377 6.289 0.775 1.00 71.34 C ATOM 1159 CG LEU A 68 -5.278 5.355 0.187 1.00 62.00 C ATOM 1160 CD1 LEU A 68 -4.790 5.875 -1.170 1.00 41.03 C ATOM 1161 CD2 LEU A 68 -4.097 5.174 1.163 1.00 11.42 C ATOM 0 H LEU A 68 -7.746 4.244 1.197 1.00 53.43 H new ATOM 0 HA LEU A 68 -6.076 5.784 2.861 1.00 44.12 H new ATOM 0 HB2 LEU A 68 -7.216 6.312 0.080 1.00 71.34 H new ATOM 0 HB3 LEU A 68 -5.977 7.302 0.824 1.00 71.34 H new ATOM 0 HG LEU A 68 -5.730 4.374 0.038 1.00 62.00 H new ATOM 0 HD11 LEU A 68 -4.023 5.207 -1.561 1.00 41.03 H new ATOM 0 HD12 LEU A 68 -5.627 5.914 -1.867 1.00 41.03 H new ATOM 0 HD13 LEU A 68 -4.373 6.874 -1.048 1.00 41.03 H new ATOM 0 HD21 LEU A 68 -3.352 4.516 0.715 1.00 11.42 H new ATOM 0 HD22 LEU A 68 -3.645 6.144 1.372 1.00 11.42 H new ATOM 0 HD23 LEU A 68 -4.458 4.734 2.093 1.00 11.42 H new ATOM 1173 N GLU A 69 -9.112 6.989 2.411 1.00 35.14 N ATOM 1174 CA GLU A 69 -10.099 7.963 2.921 1.00 11.43 C ATOM 1175 C GLU A 69 -10.273 7.810 4.443 1.00 22.50 C ATOM 1176 O GLU A 69 -10.353 8.806 5.168 1.00 52.04 O ATOM 1177 CB GLU A 69 -11.451 7.789 2.181 1.00 32.52 C ATOM 1178 CG GLU A 69 -11.359 8.075 0.671 1.00 22.24 C ATOM 1179 CD GLU A 69 -12.673 7.826 -0.081 1.00 24.55 C ATOM 1180 OE1 GLU A 69 -13.496 8.758 -0.187 1.00 42.24 O ATOM 1181 OE2 GLU A 69 -12.892 6.697 -0.580 1.00 64.31 O ATOM 0 H GLU A 69 -9.515 6.276 1.803 1.00 35.14 H new ATOM 0 HA GLU A 69 -9.732 8.971 2.728 1.00 11.43 H new ATOM 0 HB2 GLU A 69 -11.810 6.771 2.330 1.00 32.52 H new ATOM 0 HB3 GLU A 69 -12.189 8.456 2.626 1.00 32.52 H new ATOM 0 HG2 GLU A 69 -11.056 9.112 0.524 1.00 22.24 H new ATOM 0 HG3 GLU A 69 -10.578 7.450 0.238 1.00 22.24 H new ATOM 1188 N LEU A 70 -10.296 6.549 4.910 1.00 5.01 N ATOM 1189 CA LEU A 70 -10.388 6.215 6.345 1.00 22.33 C ATOM 1190 C LEU A 70 -9.092 6.610 7.093 1.00 71.52 C ATOM 1191 O LEU A 70 -9.149 6.998 8.263 1.00 15.13 O ATOM 1192 CB LEU A 70 -10.704 4.704 6.520 1.00 12.04 C ATOM 1193 CG LEU A 70 -12.128 4.257 6.047 1.00 64.25 C ATOM 1194 CD1 LEU A 70 -12.241 2.725 5.964 1.00 44.53 C ATOM 1195 CD2 LEU A 70 -13.225 4.834 6.962 1.00 21.44 C ATOM 0 H LEU A 70 -10.251 5.731 4.303 1.00 5.01 H new ATOM 0 HA LEU A 70 -11.203 6.790 6.785 1.00 22.33 H new ATOM 0 HB2 LEU A 70 -9.960 4.128 5.970 1.00 12.04 H new ATOM 0 HB3 LEU A 70 -10.592 4.446 7.573 1.00 12.04 H new ATOM 0 HG LEU A 70 -12.276 4.657 5.044 1.00 64.25 H new ATOM 0 HD11 LEU A 70 -13.243 2.451 5.633 1.00 44.53 H new ATOM 0 HD12 LEU A 70 -11.507 2.344 5.254 1.00 44.53 H new ATOM 0 HD13 LEU A 70 -12.053 2.293 6.947 1.00 44.53 H new ATOM 0 HD21 LEU A 70 -14.203 4.507 6.609 1.00 21.44 H new ATOM 0 HD22 LEU A 70 -13.071 4.481 7.982 1.00 21.44 H new ATOM 0 HD23 LEU A 70 -13.179 5.923 6.944 1.00 21.44 H new ATOM 1207 N ILE A 71 -7.935 6.529 6.394 1.00 35.42 N ATOM 1208 CA ILE A 71 -6.632 6.968 6.936 1.00 32.11 C ATOM 1209 C ILE A 71 -6.597 8.503 7.045 1.00 43.23 C ATOM 1210 O ILE A 71 -6.029 9.041 7.992 1.00 10.33 O ATOM 1211 CB ILE A 71 -5.412 6.481 6.063 1.00 61.54 C ATOM 1212 CG1 ILE A 71 -5.400 4.926 5.948 1.00 41.34 C ATOM 1213 CG2 ILE A 71 -4.070 6.996 6.646 1.00 63.34 C ATOM 1214 CD1 ILE A 71 -4.418 4.349 4.937 1.00 14.00 C ATOM 0 H ILE A 71 -7.881 6.160 5.445 1.00 35.42 H new ATOM 0 HA ILE A 71 -6.533 6.514 7.922 1.00 32.11 H new ATOM 0 HB ILE A 71 -5.528 6.898 5.063 1.00 61.54 H new ATOM 0 HG12 ILE A 71 -5.171 4.509 6.929 1.00 41.34 H new ATOM 0 HG13 ILE A 71 -6.403 4.591 5.685 1.00 41.34 H new ATOM 0 HG21 ILE A 71 -3.245 6.646 6.025 1.00 63.34 H new ATOM 0 HG22 ILE A 71 -4.075 8.086 6.662 1.00 63.34 H new ATOM 0 HG23 ILE A 71 -3.946 6.619 7.661 1.00 63.34 H new ATOM 0 HD11 ILE A 71 -4.492 3.261 4.938 1.00 14.00 H new ATOM 0 HD12 ILE A 71 -4.655 4.728 3.943 1.00 14.00 H new ATOM 0 HD13 ILE A 71 -3.404 4.644 5.206 1.00 14.00 H new ATOM 1226 N SER A 72 -7.212 9.194 6.063 1.00 4.33 N ATOM 1227 CA SER A 72 -7.326 10.661 6.070 1.00 31.30 C ATOM 1228 C SER A 72 -8.142 11.128 7.297 1.00 55.20 C ATOM 1229 O SER A 72 -7.859 12.178 7.874 1.00 10.43 O ATOM 1230 CB SER A 72 -7.977 11.158 4.755 1.00 2.13 C ATOM 1231 OG SER A 72 -7.228 10.767 3.611 1.00 44.14 O ATOM 0 H SER A 72 -7.640 8.751 5.250 1.00 4.33 H new ATOM 0 HA SER A 72 -6.327 11.090 6.139 1.00 31.30 H new ATOM 0 HB2 SER A 72 -8.989 10.761 4.679 1.00 2.13 H new ATOM 0 HB3 SER A 72 -8.061 12.244 4.780 1.00 2.13 H new ATOM 0 HG SER A 72 -7.230 9.790 3.537 1.00 44.14 H new ATOM 1237 N LYS A 73 -9.140 10.306 7.699 1.00 63.34 N ATOM 1238 CA LYS A 73 -9.950 10.553 8.910 1.00 13.23 C ATOM 1239 C LYS A 73 -9.093 10.388 10.182 1.00 4.51 C ATOM 1240 O LYS A 73 -9.227 11.171 11.127 1.00 15.43 O ATOM 1241 CB LYS A 73 -11.180 9.599 8.960 1.00 43.31 C ATOM 1242 CG LYS A 73 -12.116 9.698 7.733 1.00 50.23 C ATOM 1243 CD LYS A 73 -12.748 11.104 7.564 1.00 10.44 C ATOM 1244 CE LYS A 73 -13.619 11.213 6.301 1.00 24.04 C ATOM 1245 NZ LYS A 73 -14.228 12.562 6.162 1.00 60.00 N ATOM 0 H LYS A 73 -9.403 9.459 7.195 1.00 63.34 H new ATOM 0 HA LYS A 73 -10.313 11.580 8.867 1.00 13.23 H new ATOM 0 HB2 LYS A 73 -10.825 8.572 9.049 1.00 43.31 H new ATOM 0 HB3 LYS A 73 -11.756 9.816 9.860 1.00 43.31 H new ATOM 0 HG2 LYS A 73 -11.554 9.448 6.833 1.00 50.23 H new ATOM 0 HG3 LYS A 73 -12.910 8.958 7.828 1.00 50.23 H new ATOM 0 HD2 LYS A 73 -13.355 11.333 8.440 1.00 10.44 H new ATOM 0 HD3 LYS A 73 -11.956 11.851 7.520 1.00 10.44 H new ATOM 0 HE2 LYS A 73 -13.012 10.996 5.422 1.00 24.04 H new ATOM 0 HE3 LYS A 73 -14.407 10.461 6.338 1.00 24.04 H new ATOM 0 HZ1 LYS A 73 -14.807 12.594 5.299 1.00 60.00 H new ATOM 0 HZ2 LYS A 73 -14.828 12.759 6.989 1.00 60.00 H new ATOM 0 HZ3 LYS A 73 -13.476 13.278 6.101 1.00 60.00 H new ATOM 1259 N LEU A 74 -8.216 9.362 10.186 1.00 23.01 N ATOM 1260 CA LEU A 74 -7.317 9.076 11.320 1.00 60.42 C ATOM 1261 C LEU A 74 -6.147 10.090 11.339 1.00 34.44 C ATOM 1262 O LEU A 74 -6.139 11.014 12.156 1.00 13.30 O ATOM 1263 CB LEU A 74 -6.809 7.605 11.244 1.00 22.45 C ATOM 1264 CG LEU A 74 -7.919 6.501 11.257 1.00 33.54 C ATOM 1265 CD1 LEU A 74 -7.318 5.083 11.146 1.00 51.13 C ATOM 1266 CD2 LEU A 74 -8.826 6.630 12.501 1.00 63.42 C ATOM 0 H LEU A 74 -8.113 8.712 9.406 1.00 23.01 H new ATOM 0 HA LEU A 74 -7.866 9.187 12.255 1.00 60.42 H new ATOM 0 HB2 LEU A 74 -6.219 7.490 10.334 1.00 22.45 H new ATOM 0 HB3 LEU A 74 -6.137 7.428 12.084 1.00 22.45 H new ATOM 0 HG LEU A 74 -8.540 6.659 10.376 1.00 33.54 H new ATOM 0 HD11 LEU A 74 -8.121 4.346 11.159 1.00 51.13 H new ATOM 0 HD12 LEU A 74 -6.760 4.996 10.214 1.00 51.13 H new ATOM 0 HD13 LEU A 74 -6.648 4.905 11.987 1.00 51.13 H new ATOM 0 HD21 LEU A 74 -9.586 5.849 12.480 1.00 63.42 H new ATOM 0 HD22 LEU A 74 -8.223 6.525 13.403 1.00 63.42 H new ATOM 0 HD23 LEU A 74 -9.310 7.607 12.499 1.00 63.42 H new ATOM 1278 N GLY A 75 -5.181 9.924 10.415 1.00 61.23 N ATOM 1279 CA GLY A 75 -4.076 10.876 10.224 1.00 14.12 C ATOM 1280 C GLY A 75 -2.719 10.197 10.321 1.00 53.32 C ATOM 1281 O GLY A 75 -1.976 10.417 11.279 1.00 62.30 O ATOM 0 H GLY A 75 -5.147 9.125 9.781 1.00 61.23 H new ATOM 0 HA2 GLY A 75 -4.174 11.355 9.250 1.00 14.12 H new ATOM 0 HA3 GLY A 75 -4.142 11.664 10.974 1.00 14.12 H new ATOM 1285 N TYR A 76 -2.399 9.354 9.322 1.00 1.34 N ATOM 1286 CA TYR A 76 -1.143 8.555 9.309 1.00 70.32 C ATOM 1287 C TYR A 76 -0.354 8.759 8.004 1.00 74.32 C ATOM 1288 O TYR A 76 -0.944 9.000 6.945 1.00 62.41 O ATOM 1289 CB TYR A 76 -1.457 7.048 9.529 1.00 43.45 C ATOM 1290 CG TYR A 76 -2.030 6.725 10.922 1.00 73.20 C ATOM 1291 CD1 TYR A 76 -1.403 7.208 12.076 1.00 11.13 C ATOM 1292 CD2 TYR A 76 -3.180 5.943 11.087 1.00 53.00 C ATOM 1293 CE1 TYR A 76 -1.897 6.930 13.330 1.00 21.24 C ATOM 1294 CE2 TYR A 76 -3.677 5.661 12.349 1.00 75.20 C ATOM 1295 CZ TYR A 76 -3.031 6.160 13.466 1.00 75.03 C ATOM 1296 OH TYR A 76 -3.511 5.882 14.725 1.00 72.04 O ATOM 0 H TYR A 76 -2.992 9.203 8.506 1.00 1.34 H new ATOM 0 HA TYR A 76 -0.517 8.907 10.129 1.00 70.32 H new ATOM 0 HB2 TYR A 76 -2.168 6.721 8.770 1.00 43.45 H new ATOM 0 HB3 TYR A 76 -0.544 6.472 9.380 1.00 43.45 H new ATOM 0 HD1 TYR A 76 -0.513 7.812 11.981 1.00 11.13 H new ATOM 0 HD2 TYR A 76 -3.687 5.554 10.217 1.00 53.00 H new ATOM 0 HE1 TYR A 76 -1.396 7.315 14.206 1.00 21.24 H new ATOM 0 HE2 TYR A 76 -4.564 5.055 12.460 1.00 75.20 H new ATOM 0 HH TYR A 76 -4.078 5.083 14.690 1.00 72.04 H new ATOM 1306 N LYS A 77 0.993 8.660 8.113 1.00 54.53 N ATOM 1307 CA LYS A 77 1.921 8.796 6.975 1.00 10.13 C ATOM 1308 C LYS A 77 1.854 7.553 6.076 1.00 62.34 C ATOM 1309 O LYS A 77 2.338 6.483 6.451 1.00 52.45 O ATOM 1310 CB LYS A 77 3.380 9.028 7.477 1.00 64.42 C ATOM 1311 CG LYS A 77 3.633 10.420 8.105 1.00 15.00 C ATOM 1312 CD LYS A 77 3.431 11.584 7.091 1.00 34.14 C ATOM 1313 CE LYS A 77 4.422 11.536 5.906 1.00 14.41 C ATOM 1314 NZ LYS A 77 4.162 12.618 4.924 1.00 71.22 N ATOM 0 H LYS A 77 1.464 8.482 9.000 1.00 54.53 H new ATOM 0 HA LYS A 77 1.619 9.664 6.389 1.00 10.13 H new ATOM 0 HB2 LYS A 77 3.623 8.262 8.214 1.00 64.42 H new ATOM 0 HB3 LYS A 77 4.064 8.892 6.639 1.00 64.42 H new ATOM 0 HG2 LYS A 77 2.960 10.560 8.951 1.00 15.00 H new ATOM 0 HG3 LYS A 77 4.649 10.458 8.497 1.00 15.00 H new ATOM 0 HD2 LYS A 77 2.412 11.549 6.706 1.00 34.14 H new ATOM 0 HD3 LYS A 77 3.543 12.535 7.612 1.00 34.14 H new ATOM 0 HE2 LYS A 77 5.442 11.624 6.281 1.00 14.41 H new ATOM 0 HE3 LYS A 77 4.347 10.569 5.409 1.00 14.41 H new ATOM 0 HZ1 LYS A 77 4.847 12.552 4.145 1.00 71.22 H new ATOM 0 HZ2 LYS A 77 3.198 12.520 4.547 1.00 71.22 H new ATOM 0 HZ3 LYS A 77 4.258 13.542 5.392 1.00 71.22 H new ATOM 1328 N VAL A 78 1.214 7.703 4.907 1.00 64.22 N ATOM 1329 CA VAL A 78 1.088 6.620 3.923 1.00 34.51 C ATOM 1330 C VAL A 78 2.074 6.817 2.782 1.00 2.34 C ATOM 1331 O VAL A 78 2.144 7.898 2.179 1.00 23.15 O ATOM 1332 CB VAL A 78 -0.364 6.506 3.344 1.00 31.33 C ATOM 1333 CG1 VAL A 78 -0.488 5.376 2.285 1.00 12.45 C ATOM 1334 CG2 VAL A 78 -1.363 6.293 4.489 1.00 42.53 C ATOM 0 H VAL A 78 0.771 8.575 4.619 1.00 64.22 H new ATOM 0 HA VAL A 78 1.313 5.692 4.449 1.00 34.51 H new ATOM 0 HB VAL A 78 -0.594 7.441 2.833 1.00 31.33 H new ATOM 0 HG11 VAL A 78 -1.512 5.336 1.913 1.00 12.45 H new ATOM 0 HG12 VAL A 78 0.191 5.578 1.457 1.00 12.45 H new ATOM 0 HG13 VAL A 78 -0.230 4.420 2.741 1.00 12.45 H new ATOM 0 HG21 VAL A 78 -2.371 6.214 4.082 1.00 42.53 H new ATOM 0 HG22 VAL A 78 -1.114 5.376 5.023 1.00 42.53 H new ATOM 0 HG23 VAL A 78 -1.314 7.137 5.176 1.00 42.53 H new ATOM 1344 N PHE A 79 2.839 5.759 2.500 1.00 4.42 N ATOM 1345 CA PHE A 79 3.693 5.680 1.322 1.00 63.52 C ATOM 1346 C PHE A 79 3.123 4.548 0.451 1.00 34.42 C ATOM 1347 O PHE A 79 3.106 3.381 0.862 1.00 63.41 O ATOM 1348 CB PHE A 79 5.162 5.412 1.741 1.00 21.15 C ATOM 1349 CG PHE A 79 5.756 6.445 2.711 1.00 43.13 C ATOM 1350 CD1 PHE A 79 5.441 7.803 2.604 1.00 62.33 C ATOM 1351 CD2 PHE A 79 6.639 6.057 3.723 1.00 45.12 C ATOM 1352 CE1 PHE A 79 5.981 8.729 3.466 1.00 4.04 C ATOM 1353 CE2 PHE A 79 7.175 6.988 4.586 1.00 20.21 C ATOM 1354 CZ PHE A 79 6.845 8.324 4.457 1.00 61.33 C ATOM 0 H PHE A 79 2.880 4.929 3.091 1.00 4.42 H new ATOM 0 HA PHE A 79 3.703 6.615 0.762 1.00 63.52 H new ATOM 0 HB2 PHE A 79 5.219 4.426 2.203 1.00 21.15 H new ATOM 0 HB3 PHE A 79 5.780 5.380 0.844 1.00 21.15 H new ATOM 0 HD1 PHE A 79 4.762 8.131 1.831 1.00 62.33 H new ATOM 0 HD2 PHE A 79 6.904 5.015 3.830 1.00 45.12 H new ATOM 0 HE1 PHE A 79 5.727 9.774 3.365 1.00 4.04 H new ATOM 0 HE2 PHE A 79 7.854 6.673 5.365 1.00 20.21 H new ATOM 0 HZ PHE A 79 7.266 9.051 5.135 1.00 61.33 H new ATOM 1364 N LEU A 80 2.622 4.912 -0.734 1.00 2.12 N ATOM 1365 CA LEU A 80 1.828 4.022 -1.591 1.00 74.04 C ATOM 1366 C LEU A 80 2.623 3.560 -2.817 1.00 22.52 C ATOM 1367 O LEU A 80 3.246 4.369 -3.501 1.00 1.13 O ATOM 1368 CB LEU A 80 0.534 4.757 -2.028 1.00 62.12 C ATOM 1369 CG LEU A 80 -0.357 4.033 -3.100 1.00 32.22 C ATOM 1370 CD1 LEU A 80 -0.802 2.634 -2.645 1.00 54.31 C ATOM 1371 CD2 LEU A 80 -1.570 4.891 -3.465 1.00 63.24 C ATOM 0 H LEU A 80 2.757 5.842 -1.130 1.00 2.12 H new ATOM 0 HA LEU A 80 1.570 3.130 -1.020 1.00 74.04 H new ATOM 0 HB2 LEU A 80 -0.075 4.932 -1.141 1.00 62.12 H new ATOM 0 HB3 LEU A 80 0.813 5.735 -2.421 1.00 62.12 H new ATOM 0 HG LEU A 80 0.261 3.899 -3.988 1.00 32.22 H new ATOM 0 HD11 LEU A 80 -1.415 2.177 -3.422 1.00 54.31 H new ATOM 0 HD12 LEU A 80 0.076 2.014 -2.464 1.00 54.31 H new ATOM 0 HD13 LEU A 80 -1.383 2.718 -1.727 1.00 54.31 H new ATOM 0 HD21 LEU A 80 -2.173 4.371 -4.209 1.00 63.24 H new ATOM 0 HD22 LEU A 80 -2.170 5.071 -2.573 1.00 63.24 H new ATOM 0 HD23 LEU A 80 -1.232 5.843 -3.874 1.00 63.24 H new ATOM 1383 N LEU A 81 2.582 2.244 -3.084 1.00 55.21 N ATOM 1384 CA LEU A 81 3.034 1.656 -4.342 1.00 1.43 C ATOM 1385 C LEU A 81 1.817 1.187 -5.141 1.00 51.31 C ATOM 1386 O LEU A 81 1.010 0.395 -4.646 1.00 70.23 O ATOM 1387 CB LEU A 81 3.978 0.452 -4.110 1.00 34.34 C ATOM 1388 CG LEU A 81 4.632 -0.135 -5.408 1.00 25.54 C ATOM 1389 CD1 LEU A 81 5.432 0.947 -6.165 1.00 24.31 C ATOM 1390 CD2 LEU A 81 5.513 -1.350 -5.085 1.00 13.12 C ATOM 0 H LEU A 81 2.228 1.556 -2.419 1.00 55.21 H new ATOM 0 HA LEU A 81 3.588 2.419 -4.889 1.00 1.43 H new ATOM 0 HB2 LEU A 81 4.771 0.757 -3.427 1.00 34.34 H new ATOM 0 HB3 LEU A 81 3.417 -0.340 -3.613 1.00 34.34 H new ATOM 0 HG LEU A 81 3.828 -0.473 -6.061 1.00 25.54 H new ATOM 0 HD11 LEU A 81 5.875 0.512 -7.061 1.00 24.31 H new ATOM 0 HD12 LEU A 81 4.765 1.761 -6.448 1.00 24.31 H new ATOM 0 HD13 LEU A 81 6.222 1.333 -5.521 1.00 24.31 H new ATOM 0 HD21 LEU A 81 5.953 -1.735 -6.005 1.00 13.12 H new ATOM 0 HD22 LEU A 81 6.307 -1.052 -4.400 1.00 13.12 H new ATOM 0 HD23 LEU A 81 4.906 -2.127 -4.620 1.00 13.12 H new ATOM 1402 N LEU A 82 1.684 1.692 -6.356 1.00 70.33 N ATOM 1403 CA LEU A 82 0.690 1.241 -7.315 1.00 61.04 C ATOM 1404 C LEU A 82 1.378 0.412 -8.404 1.00 63.23 C ATOM 1405 O LEU A 82 2.186 0.942 -9.175 1.00 43.20 O ATOM 1406 CB LEU A 82 -0.033 2.456 -7.934 1.00 73.03 C ATOM 1407 CG LEU A 82 -0.924 3.287 -6.966 1.00 41.42 C ATOM 1408 CD1 LEU A 82 -1.560 4.491 -7.684 1.00 10.34 C ATOM 1409 CD2 LEU A 82 -2.001 2.396 -6.327 1.00 0.53 C ATOM 0 H LEU A 82 2.277 2.443 -6.710 1.00 70.33 H new ATOM 0 HA LEU A 82 -0.051 0.621 -6.811 1.00 61.04 H new ATOM 0 HB2 LEU A 82 0.717 3.119 -8.365 1.00 73.03 H new ATOM 0 HB3 LEU A 82 -0.656 2.103 -8.756 1.00 73.03 H new ATOM 0 HG LEU A 82 -0.286 3.678 -6.173 1.00 41.42 H new ATOM 0 HD11 LEU A 82 -2.176 5.051 -6.980 1.00 10.34 H new ATOM 0 HD12 LEU A 82 -0.775 5.139 -8.073 1.00 10.34 H new ATOM 0 HD13 LEU A 82 -2.180 4.137 -8.508 1.00 10.34 H new ATOM 0 HD21 LEU A 82 -2.615 2.994 -5.653 1.00 0.53 H new ATOM 0 HD22 LEU A 82 -2.630 1.969 -7.108 1.00 0.53 H new ATOM 0 HD23 LEU A 82 -1.523 1.593 -5.766 1.00 0.53 H new ATOM 1421 N GLN A 83 1.065 -0.889 -8.444 1.00 11.32 N ATOM 1422 CA GLN A 83 1.550 -1.803 -9.479 1.00 34.04 C ATOM 1423 C GLN A 83 0.371 -2.264 -10.335 1.00 4.42 C ATOM 1424 O GLN A 83 -0.528 -2.969 -9.847 1.00 64.42 O ATOM 1425 CB GLN A 83 2.277 -3.022 -8.860 1.00 74.35 C ATOM 1426 CG GLN A 83 2.838 -4.013 -9.916 1.00 30.13 C ATOM 1427 CD GLN A 83 3.618 -5.170 -9.318 1.00 71.10 C ATOM 1428 OE1 GLN A 83 3.370 -5.582 -8.188 1.00 62.45 O ATOM 1429 NE2 GLN A 83 4.556 -5.720 -10.079 1.00 3.51 N ATOM 0 H GLN A 83 0.464 -1.338 -7.753 1.00 11.32 H new ATOM 0 HA GLN A 83 2.271 -1.274 -10.102 1.00 34.04 H new ATOM 0 HB2 GLN A 83 3.097 -2.667 -8.235 1.00 74.35 H new ATOM 0 HB3 GLN A 83 1.585 -3.554 -8.206 1.00 74.35 H new ATOM 0 HG2 GLN A 83 2.010 -4.410 -10.503 1.00 30.13 H new ATOM 0 HG3 GLN A 83 3.485 -3.468 -10.604 1.00 30.13 H new ATOM 0 HE21 GLN A 83 4.735 -5.352 -11.013 1.00 3.51 H new ATOM 0 HE22 GLN A 83 5.097 -6.511 -9.730 1.00 3.51 H new ATOM 1438 N ASP A 84 0.376 -1.837 -11.600 1.00 21.21 N ATOM 1439 CA ASP A 84 -0.626 -2.242 -12.592 1.00 42.14 C ATOM 1440 C ASP A 84 -0.017 -2.088 -13.990 1.00 71.41 C ATOM 1441 O ASP A 84 0.725 -1.133 -14.242 1.00 51.45 O ATOM 1442 CB ASP A 84 -1.923 -1.396 -12.449 1.00 40.32 C ATOM 1443 CG ASP A 84 -3.121 -2.024 -13.188 1.00 12.15 C ATOM 1444 OD1 ASP A 84 -3.216 -1.913 -14.425 1.00 25.52 O ATOM 1445 OD2 ASP A 84 -3.979 -2.624 -12.533 1.00 61.44 O ATOM 0 H ASP A 84 1.079 -1.197 -11.968 1.00 21.21 H new ATOM 0 HA ASP A 84 -0.905 -3.283 -12.429 1.00 42.14 H new ATOM 0 HB2 ASP A 84 -2.168 -1.288 -11.392 1.00 40.32 H new ATOM 0 HB3 ASP A 84 -1.744 -0.394 -12.839 1.00 40.32 H new ATOM 1450 N GLN A 85 -0.363 -3.022 -14.891 1.00 44.20 N ATOM 1451 CA GLN A 85 0.205 -3.102 -16.248 1.00 5.30 C ATOM 1452 C GLN A 85 -0.330 -1.974 -17.161 1.00 54.24 C ATOM 1453 O GLN A 85 0.394 -1.477 -18.035 1.00 62.11 O ATOM 1454 CB GLN A 85 -0.107 -4.503 -16.828 1.00 63.15 C ATOM 1455 CG GLN A 85 0.437 -4.771 -18.246 1.00 41.13 C ATOM 1456 CD GLN A 85 0.191 -6.195 -18.747 1.00 40.22 C ATOM 1457 OE1 GLN A 85 -0.777 -6.847 -18.361 1.00 63.12 O ATOM 1458 NE2 GLN A 85 1.064 -6.689 -19.611 1.00 71.42 N ATOM 0 H GLN A 85 -1.051 -3.750 -14.697 1.00 44.20 H new ATOM 0 HA GLN A 85 1.285 -2.962 -16.197 1.00 5.30 H new ATOM 0 HB2 GLN A 85 0.301 -5.255 -16.153 1.00 63.15 H new ATOM 0 HB3 GLN A 85 -1.188 -4.639 -16.841 1.00 63.15 H new ATOM 0 HG2 GLN A 85 -0.024 -4.068 -18.940 1.00 41.13 H new ATOM 0 HG3 GLN A 85 1.509 -4.573 -18.256 1.00 41.13 H new ATOM 0 HE21 GLN A 85 1.858 -6.124 -19.913 1.00 71.42 H new ATOM 0 HE22 GLN A 85 0.943 -7.634 -19.974 1.00 71.42 H new ATOM 1467 N ASP A 86 -1.585 -1.562 -16.934 1.00 34.20 N ATOM 1468 CA ASP A 86 -2.248 -0.508 -17.726 1.00 43.12 C ATOM 1469 C ASP A 86 -1.805 0.866 -17.209 1.00 14.34 C ATOM 1470 O ASP A 86 -2.330 1.340 -16.205 1.00 33.44 O ATOM 1471 CB ASP A 86 -3.790 -0.642 -17.630 1.00 64.24 C ATOM 1472 CG ASP A 86 -4.311 -2.021 -18.047 1.00 41.10 C ATOM 1473 OD1 ASP A 86 -4.469 -2.266 -19.263 1.00 22.31 O ATOM 1474 OD2 ASP A 86 -4.570 -2.874 -17.169 1.00 44.50 O ATOM 0 H ASP A 86 -2.173 -1.949 -16.196 1.00 34.20 H new ATOM 0 HA ASP A 86 -1.962 -0.615 -18.772 1.00 43.12 H new ATOM 0 HB2 ASP A 86 -4.101 -0.440 -16.605 1.00 64.24 H new ATOM 0 HB3 ASP A 86 -4.253 0.118 -18.260 1.00 64.24 H new ATOM 1479 N GLU A 87 -0.825 1.487 -17.889 1.00 34.41 N ATOM 1480 CA GLU A 87 -0.203 2.752 -17.435 1.00 14.12 C ATOM 1481 C GLU A 87 -1.203 3.922 -17.528 1.00 62.43 C ATOM 1482 O GLU A 87 -1.226 4.791 -16.654 1.00 0.22 O ATOM 1483 CB GLU A 87 1.071 3.098 -18.266 1.00 15.54 C ATOM 1484 CG GLU A 87 2.110 1.945 -18.418 1.00 73.03 C ATOM 1485 CD GLU A 87 1.953 1.067 -19.684 1.00 23.31 C ATOM 1486 OE1 GLU A 87 0.869 1.050 -20.307 1.00 64.21 O ATOM 1487 OE2 GLU A 87 2.932 0.389 -20.068 1.00 41.13 O ATOM 0 H GLU A 87 -0.441 1.132 -18.765 1.00 34.41 H new ATOM 0 HA GLU A 87 0.088 2.606 -16.395 1.00 14.12 H new ATOM 0 HB2 GLU A 87 0.759 3.415 -19.261 1.00 15.54 H new ATOM 0 HB3 GLU A 87 1.566 3.950 -17.801 1.00 15.54 H new ATOM 0 HG2 GLU A 87 3.110 2.379 -18.420 1.00 73.03 H new ATOM 0 HG3 GLU A 87 2.043 1.302 -17.541 1.00 73.03 H new ATOM 1494 N ASN A 88 -2.021 3.917 -18.602 1.00 11.24 N ATOM 1495 CA ASN A 88 -3.041 4.959 -18.860 1.00 44.55 C ATOM 1496 C ASN A 88 -4.123 4.948 -17.770 1.00 41.03 C ATOM 1497 O ASN A 88 -4.461 5.990 -17.201 1.00 64.21 O ATOM 1498 CB ASN A 88 -3.691 4.750 -20.254 1.00 13.30 C ATOM 1499 CG ASN A 88 -2.719 4.930 -21.426 1.00 31.40 C ATOM 1500 OD1 ASN A 88 -1.762 5.696 -21.345 1.00 45.24 O ATOM 1501 ND2 ASN A 88 -2.965 4.238 -22.528 1.00 22.23 N ATOM 0 H ASN A 88 -1.994 3.190 -19.317 1.00 11.24 H new ATOM 0 HA ASN A 88 -2.543 5.928 -18.844 1.00 44.55 H new ATOM 0 HB2 ASN A 88 -4.117 3.748 -20.299 1.00 13.30 H new ATOM 0 HB3 ASN A 88 -4.516 5.453 -20.368 1.00 13.30 H new ATOM 0 HD21 ASN A 88 -2.352 4.334 -23.338 1.00 22.23 H new ATOM 0 HD22 ASN A 88 -3.767 3.609 -22.567 1.00 22.23 H new ATOM 1508 N GLU A 89 -4.637 3.746 -17.470 1.00 22.55 N ATOM 1509 CA GLU A 89 -5.685 3.557 -16.454 1.00 72.44 C ATOM 1510 C GLU A 89 -5.123 3.857 -15.047 1.00 1.23 C ATOM 1511 O GLU A 89 -5.820 4.406 -14.184 1.00 64.21 O ATOM 1512 CB GLU A 89 -6.242 2.109 -16.528 1.00 34.33 C ATOM 1513 CG GLU A 89 -6.683 1.654 -17.938 1.00 74.53 C ATOM 1514 CD GLU A 89 -7.790 2.526 -18.556 1.00 64.45 C ATOM 1515 OE1 GLU A 89 -8.980 2.319 -18.219 1.00 65.11 O ATOM 1516 OE2 GLU A 89 -7.479 3.419 -19.379 1.00 12.51 O ATOM 0 H GLU A 89 -4.340 2.881 -17.922 1.00 22.55 H new ATOM 0 HA GLU A 89 -6.502 4.251 -16.651 1.00 72.44 H new ATOM 0 HB2 GLU A 89 -5.479 1.422 -16.162 1.00 34.33 H new ATOM 0 HB3 GLU A 89 -7.094 2.028 -15.853 1.00 34.33 H new ATOM 0 HG2 GLU A 89 -5.816 1.661 -18.599 1.00 74.53 H new ATOM 0 HG3 GLU A 89 -7.034 0.623 -17.884 1.00 74.53 H new ATOM 1523 N LEU A 90 -3.832 3.505 -14.857 1.00 73.52 N ATOM 1524 CA LEU A 90 -3.107 3.696 -13.589 1.00 12.35 C ATOM 1525 C LEU A 90 -2.828 5.175 -13.334 1.00 62.31 C ATOM 1526 O LEU A 90 -2.786 5.612 -12.180 1.00 53.23 O ATOM 1527 CB LEU A 90 -1.782 2.876 -13.598 1.00 33.15 C ATOM 1528 CG LEU A 90 -0.912 2.942 -12.305 1.00 5.33 C ATOM 1529 CD1 LEU A 90 -1.763 2.655 -11.062 1.00 24.21 C ATOM 1530 CD2 LEU A 90 0.302 1.989 -12.395 1.00 20.51 C ATOM 0 H LEU A 90 -3.263 3.077 -15.587 1.00 73.52 H new ATOM 0 HA LEU A 90 -3.736 3.332 -12.776 1.00 12.35 H new ATOM 0 HB2 LEU A 90 -2.029 1.832 -13.790 1.00 33.15 H new ATOM 0 HB3 LEU A 90 -1.175 3.219 -14.435 1.00 33.15 H new ATOM 0 HG LEU A 90 -0.520 3.955 -12.213 1.00 5.33 H new ATOM 0 HD11 LEU A 90 -1.136 2.706 -10.172 1.00 24.21 H new ATOM 0 HD12 LEU A 90 -2.560 3.395 -10.988 1.00 24.21 H new ATOM 0 HD13 LEU A 90 -2.199 1.659 -11.142 1.00 24.21 H new ATOM 0 HD21 LEU A 90 0.888 2.059 -11.479 1.00 20.51 H new ATOM 0 HD22 LEU A 90 -0.048 0.965 -12.525 1.00 20.51 H new ATOM 0 HD23 LEU A 90 0.923 2.271 -13.245 1.00 20.51 H new ATOM 1542 N GLU A 91 -2.632 5.928 -14.428 1.00 25.12 N ATOM 1543 CA GLU A 91 -2.418 7.374 -14.385 1.00 44.22 C ATOM 1544 C GLU A 91 -3.594 8.061 -13.671 1.00 51.52 C ATOM 1545 O GLU A 91 -3.382 8.781 -12.698 1.00 33.04 O ATOM 1546 CB GLU A 91 -2.265 7.920 -15.823 1.00 13.02 C ATOM 1547 CG GLU A 91 -1.971 9.424 -15.904 1.00 32.33 C ATOM 1548 CD GLU A 91 -0.639 9.822 -15.241 1.00 34.33 C ATOM 1549 OE1 GLU A 91 0.428 9.451 -15.775 1.00 12.14 O ATOM 1550 OE2 GLU A 91 -0.651 10.503 -14.185 1.00 2.44 O ATOM 0 H GLU A 91 -2.618 5.542 -15.372 1.00 25.12 H new ATOM 0 HA GLU A 91 -1.505 7.586 -13.828 1.00 44.22 H new ATOM 0 HB2 GLU A 91 -1.461 7.378 -16.320 1.00 13.02 H new ATOM 0 HB3 GLU A 91 -3.180 7.711 -16.377 1.00 13.02 H new ATOM 0 HG2 GLU A 91 -1.953 9.727 -16.951 1.00 32.33 H new ATOM 0 HG3 GLU A 91 -2.784 9.972 -15.428 1.00 32.33 H new ATOM 1557 N GLU A 92 -4.824 7.751 -14.140 1.00 64.02 N ATOM 1558 CA GLU A 92 -6.083 8.290 -13.586 1.00 2.30 C ATOM 1559 C GLU A 92 -6.180 8.011 -12.077 1.00 75.12 C ATOM 1560 O GLU A 92 -6.294 8.939 -11.275 1.00 51.30 O ATOM 1561 CB GLU A 92 -7.297 7.650 -14.300 1.00 64.15 C ATOM 1562 CG GLU A 92 -7.377 7.899 -15.810 1.00 14.13 C ATOM 1563 CD GLU A 92 -8.564 7.158 -16.439 1.00 40.22 C ATOM 1564 OE1 GLU A 92 -9.681 7.722 -16.480 1.00 33.21 O ATOM 1565 OE2 GLU A 92 -8.399 5.990 -16.843 1.00 62.23 O ATOM 0 H GLU A 92 -4.970 7.113 -14.922 1.00 64.02 H new ATOM 0 HA GLU A 92 -6.088 9.368 -13.749 1.00 2.30 H new ATOM 0 HB2 GLU A 92 -7.273 6.574 -14.127 1.00 64.15 H new ATOM 0 HB3 GLU A 92 -8.209 8.027 -13.838 1.00 64.15 H new ATOM 0 HG2 GLU A 92 -7.472 8.968 -15.999 1.00 14.13 H new ATOM 0 HG3 GLU A 92 -6.451 7.573 -16.283 1.00 14.13 H new ATOM 1572 N PHE A 93 -6.080 6.712 -11.734 1.00 23.20 N ATOM 1573 CA PHE A 93 -6.181 6.198 -10.352 1.00 14.52 C ATOM 1574 C PHE A 93 -5.197 6.923 -9.411 1.00 4.15 C ATOM 1575 O PHE A 93 -5.575 7.355 -8.320 1.00 3.14 O ATOM 1576 CB PHE A 93 -5.898 4.666 -10.384 1.00 21.21 C ATOM 1577 CG PHE A 93 -6.163 3.915 -9.080 1.00 55.04 C ATOM 1578 CD1 PHE A 93 -7.414 3.983 -8.462 1.00 43.55 C ATOM 1579 CD2 PHE A 93 -5.184 3.108 -8.490 1.00 4.32 C ATOM 1580 CE1 PHE A 93 -7.670 3.281 -7.309 1.00 71.41 C ATOM 1581 CE2 PHE A 93 -5.449 2.411 -7.331 1.00 42.03 C ATOM 1582 CZ PHE A 93 -6.691 2.497 -6.743 1.00 74.41 C ATOM 0 H PHE A 93 -5.924 5.976 -12.422 1.00 23.20 H new ATOM 0 HA PHE A 93 -7.182 6.384 -9.962 1.00 14.52 H new ATOM 0 HB2 PHE A 93 -6.508 4.219 -11.169 1.00 21.21 H new ATOM 0 HB3 PHE A 93 -4.856 4.514 -10.664 1.00 21.21 H new ATOM 0 HD1 PHE A 93 -8.190 4.596 -8.896 1.00 43.55 H new ATOM 0 HD2 PHE A 93 -4.209 3.030 -8.948 1.00 4.32 H new ATOM 0 HE1 PHE A 93 -8.643 3.345 -6.845 1.00 71.41 H new ATOM 0 HE2 PHE A 93 -4.682 1.797 -6.884 1.00 42.03 H new ATOM 0 HZ PHE A 93 -6.897 1.948 -5.836 1.00 74.41 H new ATOM 1592 N LYS A 94 -3.956 7.087 -9.898 1.00 53.25 N ATOM 1593 CA LYS A 94 -2.866 7.739 -9.162 1.00 72.43 C ATOM 1594 C LYS A 94 -3.165 9.229 -8.938 1.00 43.14 C ATOM 1595 O LYS A 94 -2.890 9.749 -7.859 1.00 23.13 O ATOM 1596 CB LYS A 94 -1.536 7.525 -9.949 1.00 34.42 C ATOM 1597 CG LYS A 94 -0.221 7.893 -9.211 1.00 51.35 C ATOM 1598 CD LYS A 94 0.168 9.394 -9.258 1.00 74.42 C ATOM 1599 CE LYS A 94 0.307 9.925 -10.695 1.00 32.55 C ATOM 1600 NZ LYS A 94 0.775 11.325 -10.715 1.00 61.10 N ATOM 0 H LYS A 94 -3.681 6.766 -10.826 1.00 53.25 H new ATOM 0 HA LYS A 94 -2.769 7.292 -8.173 1.00 72.43 H new ATOM 0 HB2 LYS A 94 -1.479 6.477 -10.242 1.00 34.42 H new ATOM 0 HB3 LYS A 94 -1.586 8.111 -10.867 1.00 34.42 H new ATOM 0 HG2 LYS A 94 -0.313 7.591 -8.168 1.00 51.35 H new ATOM 0 HG3 LYS A 94 0.593 7.310 -9.641 1.00 51.35 H new ATOM 0 HD2 LYS A 94 -0.586 9.978 -8.730 1.00 74.42 H new ATOM 0 HD3 LYS A 94 1.110 9.538 -8.729 1.00 74.42 H new ATOM 0 HE2 LYS A 94 1.007 9.299 -11.249 1.00 32.55 H new ATOM 0 HE3 LYS A 94 -0.654 9.855 -11.204 1.00 32.55 H new ATOM 0 HZ1 LYS A 94 0.031 11.934 -11.111 1.00 61.10 H new ATOM 0 HZ2 LYS A 94 0.994 11.632 -9.746 1.00 61.10 H new ATOM 0 HZ3 LYS A 94 1.630 11.397 -11.302 1.00 61.10 H new ATOM 1614 N ARG A 95 -3.726 9.898 -9.972 1.00 43.40 N ATOM 1615 CA ARG A 95 -4.013 11.351 -9.934 1.00 45.42 C ATOM 1616 C ARG A 95 -5.028 11.705 -8.827 1.00 44.22 C ATOM 1617 O ARG A 95 -4.906 12.763 -8.196 1.00 21.13 O ATOM 1618 CB ARG A 95 -4.534 11.872 -11.303 1.00 10.32 C ATOM 1619 CG ARG A 95 -3.494 11.890 -12.447 1.00 13.25 C ATOM 1620 CD ARG A 95 -3.970 12.727 -13.647 1.00 11.03 C ATOM 1621 NE ARG A 95 -4.239 14.129 -13.253 1.00 14.40 N ATOM 1622 CZ ARG A 95 -3.804 15.233 -13.892 1.00 4.02 C ATOM 1623 NH1 ARG A 95 -3.060 15.148 -14.993 1.00 54.01 N ATOM 1624 NH2 ARG A 95 -4.094 16.423 -13.391 1.00 64.01 N ATOM 0 H ARG A 95 -3.991 9.450 -10.849 1.00 43.40 H new ATOM 0 HA ARG A 95 -3.067 11.844 -9.710 1.00 45.42 H new ATOM 0 HB2 ARG A 95 -5.377 11.253 -11.611 1.00 10.32 H new ATOM 0 HB3 ARG A 95 -4.915 12.884 -11.166 1.00 10.32 H new ATOM 0 HG2 ARG A 95 -2.552 12.294 -12.074 1.00 13.25 H new ATOM 0 HG3 ARG A 95 -3.296 10.869 -12.773 1.00 13.25 H new ATOM 0 HD2 ARG A 95 -3.213 12.706 -14.431 1.00 11.03 H new ATOM 0 HD3 ARG A 95 -4.874 12.285 -14.066 1.00 11.03 H new ATOM 0 HE ARG A 95 -4.808 14.273 -12.419 1.00 14.40 H new ATOM 0 HH11 ARG A 95 -2.808 14.234 -15.369 1.00 54.01 H new ATOM 0 HH12 ARG A 95 -2.742 15.997 -15.460 1.00 54.01 H new ATOM 0 HH21 ARG A 95 -4.640 16.496 -12.532 1.00 64.01 H new ATOM 0 HH22 ARG A 95 -3.772 17.268 -13.863 1.00 64.01 H new ATOM 1638 N LYS A 96 -6.024 10.817 -8.610 1.00 22.41 N ATOM 1639 CA LYS A 96 -7.002 10.954 -7.507 1.00 14.31 C ATOM 1640 C LYS A 96 -6.268 10.975 -6.147 1.00 3.42 C ATOM 1641 O LYS A 96 -6.441 11.892 -5.337 1.00 30.41 O ATOM 1642 CB LYS A 96 -8.062 9.797 -7.533 1.00 33.35 C ATOM 1643 CG LYS A 96 -9.267 10.009 -8.486 1.00 34.43 C ATOM 1644 CD LYS A 96 -8.918 9.868 -9.984 1.00 5.02 C ATOM 1645 CE LYS A 96 -10.139 10.058 -10.903 1.00 65.03 C ATOM 1646 NZ LYS A 96 -9.815 9.780 -12.328 1.00 12.32 N ATOM 0 H LYS A 96 -6.172 9.991 -9.190 1.00 22.41 H new ATOM 0 HA LYS A 96 -7.533 11.896 -7.644 1.00 14.31 H new ATOM 0 HB2 LYS A 96 -7.557 8.873 -7.816 1.00 33.35 H new ATOM 0 HB3 LYS A 96 -8.443 9.656 -6.522 1.00 33.35 H new ATOM 0 HG2 LYS A 96 -10.046 9.288 -8.236 1.00 34.43 H new ATOM 0 HG3 LYS A 96 -9.683 11.001 -8.313 1.00 34.43 H new ATOM 0 HD2 LYS A 96 -8.155 10.602 -10.245 1.00 5.02 H new ATOM 0 HD3 LYS A 96 -8.486 8.883 -10.160 1.00 5.02 H new ATOM 0 HE2 LYS A 96 -10.943 9.397 -10.579 1.00 65.03 H new ATOM 0 HE3 LYS A 96 -10.508 11.079 -10.808 1.00 65.03 H new ATOM 0 HZ1 LYS A 96 -10.586 10.126 -12.933 1.00 12.32 H new ATOM 0 HZ2 LYS A 96 -8.930 10.264 -12.584 1.00 12.32 H new ATOM 0 HZ3 LYS A 96 -9.701 8.755 -12.465 1.00 12.32 H new ATOM 1660 N ILE A 97 -5.409 9.969 -5.961 1.00 62.42 N ATOM 1661 CA ILE A 97 -4.635 9.754 -4.719 1.00 23.14 C ATOM 1662 C ILE A 97 -3.558 10.850 -4.514 1.00 75.31 C ATOM 1663 O ILE A 97 -3.166 11.161 -3.377 1.00 13.41 O ATOM 1664 CB ILE A 97 -3.953 8.340 -4.777 1.00 10.42 C ATOM 1665 CG1 ILE A 97 -5.025 7.230 -5.054 1.00 43.20 C ATOM 1666 CG2 ILE A 97 -3.167 8.054 -3.477 1.00 0.30 C ATOM 1667 CD1 ILE A 97 -4.462 5.899 -5.526 1.00 33.03 C ATOM 0 H ILE A 97 -5.223 9.266 -6.676 1.00 62.42 H new ATOM 0 HA ILE A 97 -5.322 9.808 -3.875 1.00 23.14 H new ATOM 0 HB ILE A 97 -3.238 8.332 -5.600 1.00 10.42 H new ATOM 0 HG12 ILE A 97 -5.597 7.063 -4.142 1.00 43.20 H new ATOM 0 HG13 ILE A 97 -5.723 7.599 -5.805 1.00 43.20 H new ATOM 0 HG21 ILE A 97 -2.704 7.069 -3.541 1.00 0.30 H new ATOM 0 HG22 ILE A 97 -2.394 8.811 -3.345 1.00 0.30 H new ATOM 0 HG23 ILE A 97 -3.848 8.080 -2.627 1.00 0.30 H new ATOM 0 HD11 ILE A 97 -5.279 5.196 -5.691 1.00 33.03 H new ATOM 0 HD12 ILE A 97 -3.915 6.045 -6.458 1.00 33.03 H new ATOM 0 HD13 ILE A 97 -3.788 5.500 -4.768 1.00 33.03 H new ATOM 1679 N GLU A 98 -3.115 11.434 -5.634 1.00 22.12 N ATOM 1680 CA GLU A 98 -2.067 12.468 -5.667 1.00 61.03 C ATOM 1681 C GLU A 98 -2.526 13.752 -4.925 1.00 55.45 C ATOM 1682 O GLU A 98 -1.703 14.500 -4.383 1.00 25.12 O ATOM 1683 CB GLU A 98 -1.722 12.786 -7.149 1.00 53.15 C ATOM 1684 CG GLU A 98 -0.465 13.646 -7.369 1.00 41.00 C ATOM 1685 CD GLU A 98 0.857 12.883 -7.186 1.00 54.23 C ATOM 1686 OE1 GLU A 98 1.300 12.677 -6.032 1.00 50.12 O ATOM 1687 OE2 GLU A 98 1.471 12.496 -8.203 1.00 11.34 O ATOM 0 H GLU A 98 -3.478 11.200 -6.558 1.00 22.12 H new ATOM 0 HA GLU A 98 -1.180 12.096 -5.155 1.00 61.03 H new ATOM 0 HB2 GLU A 98 -1.595 11.845 -7.684 1.00 53.15 H new ATOM 0 HB3 GLU A 98 -2.573 13.296 -7.600 1.00 53.15 H new ATOM 0 HG2 GLU A 98 -0.495 14.063 -8.375 1.00 41.00 H new ATOM 0 HG3 GLU A 98 -0.486 14.486 -6.675 1.00 41.00 H new ATOM 1694 N SER A 99 -3.853 13.982 -4.906 1.00 34.02 N ATOM 1695 CA SER A 99 -4.476 15.117 -4.203 1.00 61.04 C ATOM 1696 C SER A 99 -4.489 14.915 -2.667 1.00 25.10 C ATOM 1697 O SER A 99 -4.551 15.894 -1.908 1.00 12.02 O ATOM 1698 CB SER A 99 -5.917 15.324 -4.729 1.00 30.45 C ATOM 1699 OG SER A 99 -6.540 16.465 -4.157 1.00 11.43 O ATOM 0 H SER A 99 -4.526 13.381 -5.381 1.00 34.02 H new ATOM 0 HA SER A 99 -3.878 16.005 -4.405 1.00 61.04 H new ATOM 0 HB2 SER A 99 -5.894 15.431 -5.814 1.00 30.45 H new ATOM 0 HB3 SER A 99 -6.513 14.438 -4.508 1.00 30.45 H new ATOM 0 HG SER A 99 -7.446 16.558 -4.518 1.00 11.43 H new ATOM 1705 N GLN A 100 -4.441 13.642 -2.216 1.00 43.21 N ATOM 1706 CA GLN A 100 -4.513 13.289 -0.781 1.00 31.22 C ATOM 1707 C GLN A 100 -3.170 13.543 -0.048 1.00 2.22 C ATOM 1708 O GLN A 100 -3.138 13.579 1.186 1.00 31.14 O ATOM 1709 CB GLN A 100 -4.955 11.812 -0.604 1.00 32.35 C ATOM 1710 CG GLN A 100 -6.356 11.481 -1.160 1.00 3.43 C ATOM 1711 CD GLN A 100 -6.794 10.046 -0.837 1.00 3.43 C ATOM 1712 OE1 GLN A 100 -6.544 9.118 -1.607 1.00 45.23 O ATOM 1713 NE2 GLN A 100 -7.427 9.849 0.319 1.00 71.14 N ATOM 0 H GLN A 100 -4.352 12.834 -2.833 1.00 43.21 H new ATOM 0 HA GLN A 100 -5.260 13.940 -0.327 1.00 31.22 H new ATOM 0 HB2 GLN A 100 -4.224 11.168 -1.094 1.00 32.35 H new ATOM 0 HB3 GLN A 100 -4.934 11.567 0.458 1.00 32.35 H new ATOM 0 HG2 GLN A 100 -7.082 12.181 -0.746 1.00 3.43 H new ATOM 0 HG3 GLN A 100 -6.357 11.623 -2.241 1.00 3.43 H new ATOM 0 HE21 GLN A 100 -7.620 10.638 0.936 1.00 71.14 H new ATOM 0 HE22 GLN A 100 -7.719 8.909 0.587 1.00 71.14 H new ATOM 1722 N GLY A 101 -2.073 13.713 -0.811 1.00 44.14 N ATOM 1723 CA GLY A 101 -0.762 14.048 -0.238 1.00 3.35 C ATOM 1724 C GLY A 101 -0.029 12.843 0.342 1.00 25.33 C ATOM 1725 O GLY A 101 0.329 12.828 1.527 1.00 10.53 O ATOM 0 H GLY A 101 -2.073 13.623 -1.827 1.00 44.14 H new ATOM 0 HA2 GLY A 101 -0.142 14.504 -1.010 1.00 3.35 H new ATOM 0 HA3 GLY A 101 -0.896 14.794 0.545 1.00 3.35 H new ATOM 1729 N TYR A 102 0.200 11.832 -0.507 1.00 50.21 N ATOM 1730 CA TYR A 102 0.936 10.596 -0.146 1.00 74.30 C ATOM 1731 C TYR A 102 2.149 10.437 -1.079 1.00 55.23 C ATOM 1732 O TYR A 102 2.168 11.016 -2.174 1.00 72.45 O ATOM 1733 CB TYR A 102 0.011 9.347 -0.242 1.00 44.34 C ATOM 1734 CG TYR A 102 -1.243 9.371 0.663 1.00 74.45 C ATOM 1735 CD1 TYR A 102 -1.178 9.801 1.995 1.00 50.33 C ATOM 1736 CD2 TYR A 102 -2.489 8.943 0.190 1.00 71.41 C ATOM 1737 CE1 TYR A 102 -2.300 9.804 2.807 1.00 12.31 C ATOM 1738 CE2 TYR A 102 -3.610 8.946 0.999 1.00 11.41 C ATOM 1739 CZ TYR A 102 -3.513 9.376 2.306 1.00 22.01 C ATOM 1740 OH TYR A 102 -4.634 9.384 3.115 1.00 12.02 O ATOM 0 H TYR A 102 -0.121 11.842 -1.475 1.00 50.21 H new ATOM 0 HA TYR A 102 1.278 10.678 0.886 1.00 74.30 H new ATOM 0 HB2 TYR A 102 -0.312 9.236 -1.277 1.00 44.34 H new ATOM 0 HB3 TYR A 102 0.598 8.463 0.005 1.00 44.34 H new ATOM 0 HD1 TYR A 102 -0.234 10.137 2.397 1.00 50.33 H new ATOM 0 HD2 TYR A 102 -2.577 8.602 -0.831 1.00 71.41 H new ATOM 0 HE1 TYR A 102 -2.226 10.141 3.831 1.00 12.31 H new ATOM 0 HE2 TYR A 102 -4.560 8.612 0.608 1.00 11.41 H new ATOM 0 HH TYR A 102 -5.237 10.103 2.831 1.00 12.02 H new ATOM 1750 N GLU A 103 3.168 9.659 -0.656 1.00 65.32 N ATOM 1751 CA GLU A 103 4.323 9.357 -1.525 1.00 25.33 C ATOM 1752 C GLU A 103 3.922 8.174 -2.420 1.00 54.42 C ATOM 1753 O GLU A 103 4.066 7.010 -2.034 1.00 11.32 O ATOM 1754 CB GLU A 103 5.609 9.054 -0.685 1.00 23.30 C ATOM 1755 CG GLU A 103 6.963 9.413 -1.357 1.00 5.53 C ATOM 1756 CD GLU A 103 7.295 8.634 -2.652 1.00 64.21 C ATOM 1757 OE1 GLU A 103 6.908 9.077 -3.757 1.00 22.54 O ATOM 1758 OE2 GLU A 103 7.959 7.592 -2.569 1.00 11.23 O ATOM 0 H GLU A 103 3.214 9.234 0.270 1.00 65.32 H new ATOM 0 HA GLU A 103 4.575 10.220 -2.142 1.00 25.33 H new ATOM 0 HB2 GLU A 103 5.539 9.597 0.258 1.00 23.30 H new ATOM 0 HB3 GLU A 103 5.618 7.992 -0.441 1.00 23.30 H new ATOM 0 HG2 GLU A 103 6.963 10.479 -1.586 1.00 5.53 H new ATOM 0 HG3 GLU A 103 7.762 9.241 -0.636 1.00 5.53 H new ATOM 1765 N VAL A 104 3.397 8.500 -3.607 1.00 14.12 N ATOM 1766 CA VAL A 104 2.766 7.527 -4.511 1.00 44.12 C ATOM 1767 C VAL A 104 3.704 7.246 -5.688 1.00 14.50 C ATOM 1768 O VAL A 104 3.969 8.136 -6.492 1.00 50.22 O ATOM 1769 CB VAL A 104 1.383 8.064 -5.046 1.00 25.23 C ATOM 1770 CG1 VAL A 104 0.644 6.993 -5.873 1.00 43.33 C ATOM 1771 CG2 VAL A 104 0.491 8.566 -3.890 1.00 31.12 C ATOM 0 H VAL A 104 3.397 9.453 -3.971 1.00 14.12 H new ATOM 0 HA VAL A 104 2.581 6.607 -3.957 1.00 44.12 H new ATOM 0 HB VAL A 104 1.597 8.908 -5.702 1.00 25.23 H new ATOM 0 HG11 VAL A 104 -0.305 7.397 -6.226 1.00 43.33 H new ATOM 0 HG12 VAL A 104 1.257 6.706 -6.728 1.00 43.33 H new ATOM 0 HG13 VAL A 104 0.457 6.118 -5.251 1.00 43.33 H new ATOM 0 HG21 VAL A 104 -0.455 8.930 -4.292 1.00 31.12 H new ATOM 0 HG22 VAL A 104 0.300 7.747 -3.196 1.00 31.12 H new ATOM 0 HG23 VAL A 104 0.997 9.376 -3.365 1.00 31.12 H new ATOM 1781 N ARG A 105 4.219 6.017 -5.775 1.00 24.14 N ATOM 1782 CA ARG A 105 5.056 5.574 -6.899 1.00 63.23 C ATOM 1783 C ARG A 105 4.272 4.587 -7.764 1.00 12.51 C ATOM 1784 O ARG A 105 3.576 3.723 -7.243 1.00 72.51 O ATOM 1785 CB ARG A 105 6.370 4.932 -6.382 1.00 63.11 C ATOM 1786 CG ARG A 105 7.305 5.877 -5.570 1.00 40.44 C ATOM 1787 CD ARG A 105 7.928 7.009 -6.407 1.00 44.22 C ATOM 1788 NE ARG A 105 6.948 8.035 -6.818 1.00 52.34 N ATOM 1789 CZ ARG A 105 6.952 8.680 -7.992 1.00 53.24 C ATOM 1790 NH1 ARG A 105 7.880 8.434 -8.907 1.00 34.13 N ATOM 1791 NH2 ARG A 105 5.984 9.541 -8.261 1.00 41.32 N ATOM 0 H ARG A 105 4.068 5.298 -5.068 1.00 24.14 H new ATOM 0 HA ARG A 105 5.324 6.439 -7.506 1.00 63.23 H new ATOM 0 HB2 ARG A 105 6.114 4.077 -5.756 1.00 63.11 H new ATOM 0 HB3 ARG A 105 6.926 4.546 -7.237 1.00 63.11 H new ATOM 0 HG2 ARG A 105 6.738 6.316 -4.749 1.00 40.44 H new ATOM 0 HG3 ARG A 105 8.105 5.285 -5.125 1.00 40.44 H new ATOM 0 HD2 ARG A 105 8.722 7.484 -5.830 1.00 44.22 H new ATOM 0 HD3 ARG A 105 8.392 6.582 -7.296 1.00 44.22 H new ATOM 0 HE ARG A 105 6.210 8.271 -6.155 1.00 52.34 H new ATOM 0 HH11 ARG A 105 8.608 7.743 -8.723 1.00 34.13 H new ATOM 0 HH12 ARG A 105 7.866 8.936 -9.795 1.00 34.13 H new ATOM 0 HH21 ARG A 105 5.245 9.708 -7.578 1.00 41.32 H new ATOM 0 HH22 ARG A 105 5.977 10.038 -9.152 1.00 41.32 H new ATOM 1805 N LYS A 106 4.381 4.746 -9.087 1.00 12.12 N ATOM 1806 CA LYS A 106 3.788 3.828 -10.074 1.00 2.12 C ATOM 1807 C LYS A 106 4.859 2.828 -10.541 1.00 2.25 C ATOM 1808 O LYS A 106 6.052 3.160 -10.559 1.00 24.45 O ATOM 1809 CB LYS A 106 3.245 4.628 -11.287 1.00 75.23 C ATOM 1810 CG LYS A 106 2.109 5.616 -10.959 1.00 24.31 C ATOM 1811 CD LYS A 106 1.745 6.579 -12.128 1.00 12.41 C ATOM 1812 CE LYS A 106 1.176 5.884 -13.387 1.00 64.25 C ATOM 1813 NZ LYS A 106 2.220 5.217 -14.212 1.00 62.42 N ATOM 0 H LYS A 106 4.888 5.523 -9.511 1.00 12.12 H new ATOM 0 HA LYS A 106 2.960 3.288 -9.615 1.00 2.12 H new ATOM 0 HB2 LYS A 106 4.069 5.182 -11.736 1.00 75.23 H new ATOM 0 HB3 LYS A 106 2.888 3.923 -12.038 1.00 75.23 H new ATOM 0 HG2 LYS A 106 1.220 5.051 -10.678 1.00 24.31 H new ATOM 0 HG3 LYS A 106 2.397 6.209 -10.091 1.00 24.31 H new ATOM 0 HD2 LYS A 106 1.015 7.304 -11.769 1.00 12.41 H new ATOM 0 HD3 LYS A 106 2.637 7.138 -12.411 1.00 12.41 H new ATOM 0 HE2 LYS A 106 0.436 5.144 -13.082 1.00 64.25 H new ATOM 0 HE3 LYS A 106 0.656 6.622 -13.998 1.00 64.25 H new ATOM 0 HZ1 LYS A 106 2.055 5.427 -15.217 1.00 62.42 H new ATOM 0 HZ2 LYS A 106 3.159 5.569 -13.935 1.00 62.42 H new ATOM 0 HZ3 LYS A 106 2.177 4.189 -14.061 1.00 62.42 H new ATOM 1827 N VAL A 107 4.424 1.612 -10.898 1.00 41.02 N ATOM 1828 CA VAL A 107 5.301 0.560 -11.441 1.00 63.12 C ATOM 1829 C VAL A 107 4.462 -0.472 -12.223 1.00 2.20 C ATOM 1830 O VAL A 107 3.255 -0.619 -11.984 1.00 75.43 O ATOM 1831 CB VAL A 107 6.152 -0.137 -10.301 1.00 42.13 C ATOM 1832 CG1 VAL A 107 5.258 -0.903 -9.300 1.00 21.04 C ATOM 1833 CG2 VAL A 107 7.264 -1.048 -10.880 1.00 2.22 C ATOM 0 H VAL A 107 3.448 1.327 -10.819 1.00 41.02 H new ATOM 0 HA VAL A 107 6.010 1.025 -12.126 1.00 63.12 H new ATOM 0 HB VAL A 107 6.646 0.662 -9.748 1.00 42.13 H new ATOM 0 HG11 VAL A 107 5.882 -1.366 -8.535 1.00 21.04 H new ATOM 0 HG12 VAL A 107 4.562 -0.209 -8.829 1.00 21.04 H new ATOM 0 HG13 VAL A 107 4.699 -1.675 -9.828 1.00 21.04 H new ATOM 0 HG21 VAL A 107 7.822 -1.505 -10.063 1.00 2.22 H new ATOM 0 HG22 VAL A 107 6.813 -1.829 -11.492 1.00 2.22 H new ATOM 0 HG23 VAL A 107 7.940 -0.452 -11.493 1.00 2.22 H new ATOM 1843 N THR A 108 5.097 -1.145 -13.188 1.00 1.31 N ATOM 1844 CA THR A 108 4.473 -2.210 -13.991 1.00 25.42 C ATOM 1845 C THR A 108 5.198 -3.558 -13.763 1.00 61.21 C ATOM 1846 O THR A 108 4.570 -4.623 -13.811 1.00 11.01 O ATOM 1847 CB THR A 108 4.498 -1.823 -15.511 1.00 23.51 C ATOM 1848 OG1 THR A 108 5.820 -1.387 -15.875 1.00 14.11 O ATOM 1849 CG2 THR A 108 3.481 -0.713 -15.854 1.00 5.31 C ATOM 0 H THR A 108 6.069 -0.966 -13.439 1.00 1.31 H new ATOM 0 HA THR A 108 3.436 -2.323 -13.675 1.00 25.42 H new ATOM 0 HB THR A 108 4.218 -2.711 -16.077 1.00 23.51 H new ATOM 0 HG1 THR A 108 5.835 -1.147 -16.825 1.00 14.11 H new ATOM 0 HG21 THR A 108 3.539 -0.483 -16.918 1.00 5.31 H new ATOM 0 HG22 THR A 108 2.475 -1.054 -15.611 1.00 5.31 H new ATOM 0 HG23 THR A 108 3.711 0.182 -15.276 1.00 5.31 H new ATOM 1857 N ASP A 109 6.521 -3.503 -13.478 1.00 12.32 N ATOM 1858 CA ASP A 109 7.382 -4.710 -13.380 1.00 2.01 C ATOM 1859 C ASP A 109 7.418 -5.297 -11.963 1.00 72.24 C ATOM 1860 O ASP A 109 7.266 -4.581 -10.974 1.00 72.02 O ATOM 1861 CB ASP A 109 8.827 -4.398 -13.871 1.00 44.55 C ATOM 1862 CG ASP A 109 8.977 -4.495 -15.395 1.00 2.12 C ATOM 1863 OD1 ASP A 109 8.691 -3.505 -16.100 1.00 2.05 O ATOM 1864 OD2 ASP A 109 9.368 -5.574 -15.897 1.00 3.43 O ATOM 0 H ASP A 109 7.020 -2.629 -13.311 1.00 12.32 H new ATOM 0 HA ASP A 109 6.937 -5.464 -14.029 1.00 2.01 H new ATOM 0 HB2 ASP A 109 9.106 -3.395 -13.547 1.00 44.55 H new ATOM 0 HB3 ASP A 109 9.523 -5.091 -13.398 1.00 44.55 H new ATOM 1869 N ASP A 110 7.668 -6.618 -11.916 1.00 21.23 N ATOM 1870 CA ASP A 110 7.643 -7.451 -10.698 1.00 41.11 C ATOM 1871 C ASP A 110 8.840 -7.153 -9.788 1.00 5.24 C ATOM 1872 O ASP A 110 8.673 -6.822 -8.605 1.00 3.14 O ATOM 1873 CB ASP A 110 7.675 -8.959 -11.096 1.00 33.42 C ATOM 1874 CG ASP A 110 6.495 -9.425 -11.970 1.00 2.33 C ATOM 1875 OD1 ASP A 110 6.063 -8.688 -12.880 1.00 43.12 O ATOM 1876 OD2 ASP A 110 6.002 -10.549 -11.769 1.00 33.44 O ATOM 0 H ASP A 110 7.901 -7.154 -12.752 1.00 21.23 H new ATOM 0 HA ASP A 110 6.728 -7.219 -10.154 1.00 41.11 H new ATOM 0 HB2 ASP A 110 8.604 -9.159 -11.629 1.00 33.42 H new ATOM 0 HB3 ASP A 110 7.694 -9.559 -10.186 1.00 33.42 H new ATOM 1881 N GLU A 111 10.050 -7.278 -10.371 1.00 51.32 N ATOM 1882 CA GLU A 111 11.319 -7.106 -9.649 1.00 73.45 C ATOM 1883 C GLU A 111 11.446 -5.658 -9.184 1.00 60.13 C ATOM 1884 O GLU A 111 11.802 -5.396 -8.034 1.00 13.13 O ATOM 1885 CB GLU A 111 12.530 -7.489 -10.550 1.00 3.31 C ATOM 1886 CG GLU A 111 12.500 -8.940 -11.084 1.00 13.35 C ATOM 1887 CD GLU A 111 13.708 -9.265 -11.984 1.00 34.35 C ATOM 1888 OE1 GLU A 111 13.699 -8.873 -13.172 1.00 23.45 O ATOM 1889 OE2 GLU A 111 14.690 -9.871 -11.506 1.00 54.32 O ATOM 0 H GLU A 111 10.170 -7.502 -11.359 1.00 51.32 H new ATOM 0 HA GLU A 111 11.322 -7.769 -8.784 1.00 73.45 H new ATOM 0 HB2 GLU A 111 12.567 -6.804 -11.397 1.00 3.31 H new ATOM 0 HB3 GLU A 111 13.449 -7.343 -9.982 1.00 3.31 H new ATOM 0 HG2 GLU A 111 12.482 -9.633 -10.243 1.00 13.35 H new ATOM 0 HG3 GLU A 111 11.580 -9.097 -11.646 1.00 13.35 H new ATOM 1896 N GLU A 112 11.095 -4.729 -10.097 1.00 21.23 N ATOM 1897 CA GLU A 112 11.152 -3.286 -9.840 1.00 21.34 C ATOM 1898 C GLU A 112 10.221 -2.891 -8.692 1.00 3.03 C ATOM 1899 O GLU A 112 10.616 -2.104 -7.843 1.00 43.32 O ATOM 1900 CB GLU A 112 10.794 -2.482 -11.110 1.00 43.45 C ATOM 1901 CG GLU A 112 11.695 -2.768 -12.337 1.00 51.24 C ATOM 1902 CD GLU A 112 13.202 -2.848 -12.012 1.00 55.42 C ATOM 1903 OE1 GLU A 112 13.818 -1.805 -11.705 1.00 42.22 O ATOM 1904 OE2 GLU A 112 13.775 -3.966 -12.040 1.00 71.22 O ATOM 0 H GLU A 112 10.764 -4.965 -11.033 1.00 21.23 H new ATOM 0 HA GLU A 112 12.176 -3.047 -9.553 1.00 21.34 H new ATOM 0 HB2 GLU A 112 9.760 -2.696 -11.379 1.00 43.45 H new ATOM 0 HB3 GLU A 112 10.849 -1.419 -10.877 1.00 43.45 H new ATOM 0 HG2 GLU A 112 11.383 -3.708 -12.791 1.00 51.24 H new ATOM 0 HG3 GLU A 112 11.536 -1.986 -13.080 1.00 51.24 H new ATOM 1911 N ALA A 113 8.995 -3.467 -8.684 1.00 34.30 N ATOM 1912 CA ALA A 113 8.002 -3.260 -7.608 1.00 42.32 C ATOM 1913 C ALA A 113 8.620 -3.510 -6.225 1.00 54.12 C ATOM 1914 O ALA A 113 8.583 -2.628 -5.368 1.00 1.11 O ATOM 1915 CB ALA A 113 6.779 -4.168 -7.820 1.00 1.32 C ATOM 0 H ALA A 113 8.669 -4.088 -9.425 1.00 34.30 H new ATOM 0 HA ALA A 113 7.677 -2.220 -7.649 1.00 42.32 H new ATOM 0 HB1 ALA A 113 6.059 -4.002 -7.019 1.00 1.32 H new ATOM 0 HB2 ALA A 113 6.315 -3.936 -8.779 1.00 1.32 H new ATOM 0 HB3 ALA A 113 7.095 -5.211 -7.813 1.00 1.32 H new ATOM 1921 N LEU A 114 9.260 -4.692 -6.068 1.00 14.44 N ATOM 1922 CA LEU A 114 9.917 -5.104 -4.805 1.00 14.31 C ATOM 1923 C LEU A 114 11.025 -4.096 -4.404 1.00 24.42 C ATOM 1924 O LEU A 114 11.215 -3.798 -3.214 1.00 65.42 O ATOM 1925 CB LEU A 114 10.528 -6.528 -4.949 1.00 75.24 C ATOM 1926 CG LEU A 114 9.566 -7.663 -5.428 1.00 1.23 C ATOM 1927 CD1 LEU A 114 10.336 -8.973 -5.678 1.00 12.23 C ATOM 1928 CD2 LEU A 114 8.412 -7.890 -4.430 1.00 44.21 C ATOM 0 H LEU A 114 9.336 -5.386 -6.812 1.00 14.44 H new ATOM 0 HA LEU A 114 9.159 -5.119 -4.022 1.00 14.31 H new ATOM 0 HB2 LEU A 114 11.361 -6.471 -5.650 1.00 75.24 H new ATOM 0 HB3 LEU A 114 10.942 -6.819 -3.984 1.00 75.24 H new ATOM 0 HG LEU A 114 9.128 -7.339 -6.372 1.00 1.23 H new ATOM 0 HD11 LEU A 114 9.642 -9.745 -6.010 1.00 12.23 H new ATOM 0 HD12 LEU A 114 11.092 -8.810 -6.446 1.00 12.23 H new ATOM 0 HD13 LEU A 114 10.820 -9.293 -4.755 1.00 12.23 H new ATOM 0 HD21 LEU A 114 7.765 -8.686 -4.797 1.00 44.21 H new ATOM 0 HD22 LEU A 114 8.820 -8.173 -3.460 1.00 44.21 H new ATOM 0 HD23 LEU A 114 7.834 -6.971 -4.327 1.00 44.21 H new ATOM 1940 N LYS A 115 11.726 -3.565 -5.429 1.00 34.34 N ATOM 1941 CA LYS A 115 12.808 -2.581 -5.253 1.00 73.41 C ATOM 1942 C LYS A 115 12.268 -1.211 -4.807 1.00 44.35 C ATOM 1943 O LYS A 115 12.990 -0.467 -4.154 1.00 44.34 O ATOM 1944 CB LYS A 115 13.606 -2.398 -6.565 1.00 34.24 C ATOM 1945 CG LYS A 115 14.319 -3.659 -7.080 1.00 62.42 C ATOM 1946 CD LYS A 115 14.962 -3.424 -8.467 1.00 13.24 C ATOM 1947 CE LYS A 115 15.557 -4.698 -9.075 1.00 14.24 C ATOM 1948 NZ LYS A 115 16.169 -4.432 -10.401 1.00 24.23 N ATOM 0 H LYS A 115 11.554 -3.810 -6.404 1.00 34.34 H new ATOM 0 HA LYS A 115 13.462 -2.972 -4.474 1.00 73.41 H new ATOM 0 HB2 LYS A 115 12.925 -2.044 -7.339 1.00 34.24 H new ATOM 0 HB3 LYS A 115 14.350 -1.616 -6.413 1.00 34.24 H new ATOM 0 HG2 LYS A 115 15.088 -3.959 -6.368 1.00 62.42 H new ATOM 0 HG3 LYS A 115 13.606 -4.481 -7.144 1.00 62.42 H new ATOM 0 HD2 LYS A 115 14.211 -3.021 -9.146 1.00 13.24 H new ATOM 0 HD3 LYS A 115 15.745 -2.672 -8.375 1.00 13.24 H new ATOM 0 HE2 LYS A 115 16.310 -5.107 -8.401 1.00 14.24 H new ATOM 0 HE3 LYS A 115 14.777 -5.452 -9.178 1.00 14.24 H new ATOM 0 HZ1 LYS A 115 16.721 -5.261 -10.701 1.00 24.23 H new ATOM 0 HZ2 LYS A 115 15.420 -4.245 -11.098 1.00 24.23 H new ATOM 0 HZ3 LYS A 115 16.795 -3.604 -10.335 1.00 24.23 H new ATOM 1962 N ILE A 116 11.026 -0.858 -5.201 1.00 60.11 N ATOM 1963 CA ILE A 116 10.413 0.417 -4.779 1.00 64.40 C ATOM 1964 C ILE A 116 9.918 0.290 -3.317 1.00 55.32 C ATOM 1965 O ILE A 116 9.979 1.261 -2.549 1.00 50.34 O ATOM 1966 CB ILE A 116 9.214 0.880 -5.705 1.00 71.32 C ATOM 1967 CG1 ILE A 116 9.540 0.764 -7.234 1.00 72.22 C ATOM 1968 CG2 ILE A 116 8.800 2.332 -5.362 1.00 52.25 C ATOM 1969 CD1 ILE A 116 10.718 1.585 -7.740 1.00 45.12 C ATOM 0 H ILE A 116 10.435 -1.431 -5.803 1.00 60.11 H new ATOM 0 HA ILE A 116 11.186 1.181 -4.865 1.00 64.40 H new ATOM 0 HB ILE A 116 8.385 0.201 -5.504 1.00 71.32 H new ATOM 0 HG12 ILE A 116 9.731 -0.284 -7.464 1.00 72.22 H new ATOM 0 HG13 ILE A 116 8.653 1.057 -7.795 1.00 72.22 H new ATOM 0 HG21 ILE A 116 7.975 2.637 -6.006 1.00 52.25 H new ATOM 0 HG22 ILE A 116 8.485 2.384 -4.320 1.00 52.25 H new ATOM 0 HG23 ILE A 116 9.648 2.999 -5.518 1.00 52.25 H new ATOM 0 HD11 ILE A 116 10.843 1.421 -8.810 1.00 45.12 H new ATOM 0 HD12 ILE A 116 10.531 2.643 -7.555 1.00 45.12 H new ATOM 0 HD13 ILE A 116 11.625 1.280 -7.218 1.00 45.12 H new ATOM 1981 N VAL A 117 9.445 -0.930 -2.941 1.00 33.42 N ATOM 1982 CA VAL A 117 8.931 -1.210 -1.580 1.00 10.24 C ATOM 1983 C VAL A 117 10.041 -1.023 -0.533 1.00 70.41 C ATOM 1984 O VAL A 117 9.806 -0.436 0.525 1.00 13.43 O ATOM 1985 CB VAL A 117 8.329 -2.662 -1.404 1.00 4.32 C ATOM 1986 CG1 VAL A 117 7.667 -2.816 -0.014 1.00 54.44 C ATOM 1987 CG2 VAL A 117 7.317 -3.017 -2.515 1.00 24.12 C ATOM 0 H VAL A 117 9.411 -1.734 -3.567 1.00 33.42 H new ATOM 0 HA VAL A 117 8.121 -0.496 -1.431 1.00 10.24 H new ATOM 0 HB VAL A 117 9.162 -3.360 -1.484 1.00 4.32 H new ATOM 0 HG11 VAL A 117 7.260 -3.822 0.086 1.00 54.44 H new ATOM 0 HG12 VAL A 117 8.411 -2.647 0.764 1.00 54.44 H new ATOM 0 HG13 VAL A 117 6.863 -2.087 0.089 1.00 54.44 H new ATOM 0 HG21 VAL A 117 6.933 -4.023 -2.349 1.00 24.12 H new ATOM 0 HG22 VAL A 117 6.491 -2.306 -2.496 1.00 24.12 H new ATOM 0 HG23 VAL A 117 7.812 -2.973 -3.485 1.00 24.12 H new ATOM 1997 N ARG A 118 11.254 -1.526 -0.850 1.00 55.32 N ATOM 1998 CA ARG A 118 12.413 -1.434 0.059 1.00 32.14 C ATOM 1999 C ARG A 118 12.837 0.036 0.275 1.00 31.32 C ATOM 2000 O ARG A 118 13.414 0.369 1.312 1.00 3.21 O ATOM 2001 CB ARG A 118 13.604 -2.305 -0.443 1.00 31.43 C ATOM 2002 CG ARG A 118 14.360 -1.703 -1.638 1.00 61.03 C ATOM 2003 CD ARG A 118 15.547 -2.547 -2.126 1.00 44.31 C ATOM 2004 NE ARG A 118 16.348 -1.801 -3.117 1.00 20.22 N ATOM 2005 CZ ARG A 118 17.513 -2.208 -3.652 1.00 40.51 C ATOM 2006 NH1 ARG A 118 18.051 -3.376 -3.316 1.00 70.24 N ATOM 2007 NH2 ARG A 118 18.154 -1.416 -4.493 1.00 22.15 N ATOM 0 H ARG A 118 11.454 -2.000 -1.731 1.00 55.32 H new ATOM 0 HA ARG A 118 12.106 -1.834 1.026 1.00 32.14 H new ATOM 0 HB2 ARG A 118 14.304 -2.453 0.379 1.00 31.43 H new ATOM 0 HB3 ARG A 118 13.228 -3.289 -0.723 1.00 31.43 H new ATOM 0 HG2 ARG A 118 13.662 -1.568 -2.464 1.00 61.03 H new ATOM 0 HG3 ARG A 118 14.723 -0.713 -1.362 1.00 61.03 H new ATOM 0 HD2 ARG A 118 16.174 -2.824 -1.279 1.00 44.31 H new ATOM 0 HD3 ARG A 118 15.182 -3.474 -2.570 1.00 44.31 H new ATOM 0 HE ARG A 118 15.986 -0.898 -3.423 1.00 20.22 H new ATOM 0 HH11 ARG A 118 17.580 -3.980 -2.642 1.00 70.24 H new ATOM 0 HH12 ARG A 118 18.935 -3.669 -3.732 1.00 70.24 H new ATOM 0 HH21 ARG A 118 17.765 -0.504 -4.732 1.00 22.15 H new ATOM 0 HH22 ARG A 118 19.038 -1.717 -4.903 1.00 22.15 H new ATOM 2021 N GLU A 119 12.520 0.909 -0.715 1.00 61.35 N ATOM 2022 CA GLU A 119 12.757 2.357 -0.608 1.00 73.33 C ATOM 2023 C GLU A 119 11.748 2.986 0.374 1.00 51.25 C ATOM 2024 O GLU A 119 12.122 3.846 1.162 1.00 10.03 O ATOM 2025 CB GLU A 119 12.649 3.054 -1.988 1.00 41.24 C ATOM 2026 CG GLU A 119 13.527 2.443 -3.105 1.00 4.55 C ATOM 2027 CD GLU A 119 15.023 2.326 -2.748 1.00 4.44 C ATOM 2028 OE1 GLU A 119 15.638 3.349 -2.377 1.00 44.14 O ATOM 2029 OE2 GLU A 119 15.598 1.221 -2.871 1.00 33.52 O ATOM 0 H GLU A 119 12.097 0.625 -1.599 1.00 61.35 H new ATOM 0 HA GLU A 119 13.771 2.502 -0.234 1.00 73.33 H new ATOM 0 HB2 GLU A 119 11.608 3.027 -2.310 1.00 41.24 H new ATOM 0 HB3 GLU A 119 12.919 4.103 -1.869 1.00 41.24 H new ATOM 0 HG2 GLU A 119 13.146 1.451 -3.349 1.00 4.55 H new ATOM 0 HG3 GLU A 119 13.427 3.052 -4.003 1.00 4.55 H new ATOM 2036 N PHE A 120 10.469 2.546 0.300 1.00 34.30 N ATOM 2037 CA PHE A 120 9.405 2.974 1.244 1.00 61.14 C ATOM 2038 C PHE A 120 9.752 2.583 2.688 1.00 73.54 C ATOM 2039 O PHE A 120 9.564 3.373 3.609 1.00 2.30 O ATOM 2040 CB PHE A 120 8.036 2.358 0.862 1.00 74.14 C ATOM 2041 CG PHE A 120 7.456 2.864 -0.450 1.00 45.43 C ATOM 2042 CD1 PHE A 120 7.334 4.229 -0.692 1.00 14.21 C ATOM 2043 CD2 PHE A 120 7.021 1.985 -1.433 1.00 33.04 C ATOM 2044 CE1 PHE A 120 6.794 4.691 -1.866 1.00 31.21 C ATOM 2045 CE2 PHE A 120 6.485 2.454 -2.604 1.00 74.51 C ATOM 2046 CZ PHE A 120 6.367 3.803 -2.819 1.00 25.40 C ATOM 0 H PHE A 120 10.146 1.889 -0.410 1.00 34.30 H new ATOM 0 HA PHE A 120 9.337 4.060 1.177 1.00 61.14 H new ATOM 0 HB2 PHE A 120 8.144 1.275 0.802 1.00 74.14 H new ATOM 0 HB3 PHE A 120 7.324 2.564 1.662 1.00 74.14 H new ATOM 0 HD1 PHE A 120 7.669 4.934 0.054 1.00 14.21 H new ATOM 0 HD2 PHE A 120 7.106 0.920 -1.273 1.00 33.04 H new ATOM 0 HE1 PHE A 120 6.706 5.753 -2.039 1.00 31.21 H new ATOM 0 HE2 PHE A 120 6.154 1.758 -3.361 1.00 74.51 H new ATOM 0 HZ PHE A 120 5.937 4.167 -3.741 1.00 25.40 H new ATOM 2056 N MET A 121 10.244 1.346 2.858 1.00 73.24 N ATOM 2057 CA MET A 121 10.689 0.818 4.157 1.00 51.42 C ATOM 2058 C MET A 121 11.980 1.508 4.645 1.00 5.30 C ATOM 2059 O MET A 121 12.267 1.535 5.841 1.00 45.01 O ATOM 2060 CB MET A 121 10.884 -0.719 4.070 1.00 2.00 C ATOM 2061 CG MET A 121 9.595 -1.496 3.746 1.00 74.23 C ATOM 2062 SD MET A 121 9.814 -3.282 3.830 1.00 34.33 S ATOM 2063 CE MET A 121 10.894 -3.607 2.439 1.00 34.52 C ATOM 0 H MET A 121 10.345 0.679 2.093 1.00 73.24 H new ATOM 0 HA MET A 121 9.912 1.035 4.890 1.00 51.42 H new ATOM 0 HB2 MET A 121 11.630 -0.938 3.306 1.00 2.00 H new ATOM 0 HB3 MET A 121 11.284 -1.078 5.018 1.00 2.00 H new ATOM 0 HG2 MET A 121 8.812 -1.198 4.443 1.00 74.23 H new ATOM 0 HG3 MET A 121 9.254 -1.223 2.747 1.00 74.23 H new ATOM 0 HE1 MET A 121 11.075 -4.679 2.362 1.00 34.52 H new ATOM 0 HE2 MET A 121 10.424 -3.251 1.522 1.00 34.52 H new ATOM 0 HE3 MET A 121 11.842 -3.089 2.585 1.00 34.52 H new ATOM 2073 N GLN A 122 12.766 2.037 3.697 1.00 10.41 N ATOM 2074 CA GLN A 122 13.952 2.853 4.001 1.00 30.35 C ATOM 2075 C GLN A 122 13.536 4.248 4.541 1.00 63.22 C ATOM 2076 O GLN A 122 14.131 4.751 5.504 1.00 44.13 O ATOM 2077 CB GLN A 122 14.830 2.963 2.728 1.00 14.31 C ATOM 2078 CG GLN A 122 16.163 3.701 2.904 1.00 13.44 C ATOM 2079 CD GLN A 122 17.039 3.630 1.655 1.00 53.02 C ATOM 2080 OE1 GLN A 122 17.868 2.736 1.515 1.00 43.15 O ATOM 2081 NE2 GLN A 122 16.841 4.546 0.726 1.00 45.00 N ATOM 0 H GLN A 122 12.599 1.912 2.699 1.00 10.41 H new ATOM 0 HA GLN A 122 14.538 2.374 4.786 1.00 30.35 H new ATOM 0 HB2 GLN A 122 15.038 1.957 2.364 1.00 14.31 H new ATOM 0 HB3 GLN A 122 14.254 3.470 1.954 1.00 14.31 H new ATOM 0 HG2 GLN A 122 15.967 4.745 3.148 1.00 13.44 H new ATOM 0 HG3 GLN A 122 16.703 3.272 3.748 1.00 13.44 H new ATOM 0 HE21 GLN A 122 16.145 5.277 0.871 1.00 45.00 H new ATOM 0 HE22 GLN A 122 17.384 4.523 -0.137 1.00 45.00 H new ATOM 2090 N LYS A 123 12.479 4.837 3.924 1.00 40.30 N ATOM 2091 CA LYS A 123 11.915 6.155 4.328 1.00 23.13 C ATOM 2092 C LYS A 123 11.286 6.057 5.728 1.00 15.01 C ATOM 2093 O LYS A 123 11.612 6.827 6.634 1.00 23.31 O ATOM 2094 CB LYS A 123 10.822 6.616 3.322 1.00 10.53 C ATOM 2095 CG LYS A 123 11.312 6.802 1.872 1.00 73.24 C ATOM 2096 CD LYS A 123 10.140 6.941 0.870 1.00 65.33 C ATOM 2097 CE LYS A 123 10.611 6.966 -0.590 1.00 1.34 C ATOM 2098 NZ LYS A 123 11.438 8.159 -0.898 1.00 1.32 N ATOM 0 H LYS A 123 11.993 4.414 3.133 1.00 40.30 H new ATOM 0 HA LYS A 123 12.729 6.880 4.337 1.00 23.13 H new ATOM 0 HB2 LYS A 123 10.013 5.885 3.326 1.00 10.53 H new ATOM 0 HB3 LYS A 123 10.401 7.559 3.672 1.00 10.53 H new ATOM 0 HG2 LYS A 123 11.943 7.689 1.815 1.00 73.24 H new ATOM 0 HG3 LYS A 123 11.931 5.951 1.588 1.00 73.24 H new ATOM 0 HD2 LYS A 123 9.447 6.111 1.010 1.00 65.33 H new ATOM 0 HD3 LYS A 123 9.589 7.856 1.086 1.00 65.33 H new ATOM 0 HE2 LYS A 123 11.187 6.064 -0.798 1.00 1.34 H new ATOM 0 HE3 LYS A 123 9.743 6.949 -1.249 1.00 1.34 H new ATOM 0 HZ1 LYS A 123 11.731 8.130 -1.895 1.00 1.32 H new ATOM 0 HZ2 LYS A 123 10.882 9.021 -0.726 1.00 1.32 H new ATOM 0 HZ3 LYS A 123 12.281 8.164 -0.289 1.00 1.32 H new ATOM 2112 N ALA A 124 10.405 5.059 5.872 1.00 75.23 N ATOM 2113 CA ALA A 124 9.621 4.811 7.085 1.00 11.21 C ATOM 2114 C ALA A 124 10.525 4.345 8.234 1.00 21.33 C ATOM 2115 O ALA A 124 10.275 4.661 9.404 1.00 54.20 O ATOM 2116 CB ALA A 124 8.533 3.772 6.777 1.00 72.41 C ATOM 0 H ALA A 124 10.214 4.386 5.129 1.00 75.23 H new ATOM 0 HA ALA A 124 9.146 5.738 7.405 1.00 11.21 H new ATOM 0 HB1 ALA A 124 7.946 3.583 7.676 1.00 72.41 H new ATOM 0 HB2 ALA A 124 7.881 4.151 5.990 1.00 72.41 H new ATOM 0 HB3 ALA A 124 8.999 2.844 6.446 1.00 72.41 H new ATOM 2122 N GLY A 125 11.576 3.587 7.867 1.00 11.31 N ATOM 2123 CA GLY A 125 12.608 3.163 8.806 1.00 14.25 C ATOM 2124 C GLY A 125 13.348 4.332 9.440 1.00 54.14 C ATOM 2125 O GLY A 125 13.678 4.293 10.624 1.00 50.43 O ATOM 0 H GLY A 125 11.725 3.257 6.913 1.00 11.31 H new ATOM 0 HA2 GLY A 125 12.152 2.559 9.591 1.00 14.25 H new ATOM 0 HA3 GLY A 125 13.324 2.525 8.288 1.00 14.25 H new ATOM 2129 N SER A 126 13.592 5.381 8.639 1.00 52.34 N ATOM 2130 CA SER A 126 14.254 6.606 9.111 1.00 24.22 C ATOM 2131 C SER A 126 13.308 7.448 9.997 1.00 54.13 C ATOM 2132 O SER A 126 13.749 8.047 10.984 1.00 64.04 O ATOM 2133 CB SER A 126 14.762 7.417 7.901 1.00 24.23 C ATOM 2134 OG SER A 126 15.713 6.675 7.154 1.00 61.40 O ATOM 0 H SER A 126 13.337 5.404 7.652 1.00 52.34 H new ATOM 0 HA SER A 126 15.107 6.330 9.730 1.00 24.22 H new ATOM 0 HB2 SER A 126 13.922 7.687 7.261 1.00 24.23 H new ATOM 0 HB3 SER A 126 15.212 8.348 8.246 1.00 24.23 H new ATOM 0 HG SER A 126 15.249 6.021 6.591 1.00 61.40 H new ATOM 2140 N LEU A 127 12.003 7.439 9.668 1.00 22.52 N ATOM 2141 CA LEU A 127 10.985 8.245 10.383 1.00 40.34 C ATOM 2142 C LEU A 127 10.593 7.612 11.741 1.00 1.43 C ATOM 2143 O LEU A 127 9.969 8.277 12.574 1.00 21.33 O ATOM 2144 CB LEU A 127 9.726 8.428 9.499 1.00 25.11 C ATOM 2145 CG LEU A 127 9.911 9.252 8.190 1.00 42.23 C ATOM 2146 CD1 LEU A 127 8.614 9.267 7.360 1.00 63.22 C ATOM 2147 CD2 LEU A 127 10.392 10.689 8.492 1.00 32.21 C ATOM 0 H LEU A 127 11.622 6.879 8.905 1.00 22.52 H new ATOM 0 HA LEU A 127 11.428 9.220 10.589 1.00 40.34 H new ATOM 0 HB2 LEU A 127 9.351 7.440 9.231 1.00 25.11 H new ATOM 0 HB3 LEU A 127 8.954 8.910 10.099 1.00 25.11 H new ATOM 0 HG LEU A 127 10.685 8.763 7.598 1.00 42.23 H new ATOM 0 HD11 LEU A 127 8.770 9.849 6.452 1.00 63.22 H new ATOM 0 HD12 LEU A 127 8.340 8.246 7.094 1.00 63.22 H new ATOM 0 HD13 LEU A 127 7.812 9.717 7.946 1.00 63.22 H new ATOM 0 HD21 LEU A 127 10.511 11.237 7.557 1.00 32.21 H new ATOM 0 HD22 LEU A 127 9.657 11.195 9.118 1.00 32.21 H new ATOM 0 HD23 LEU A 127 11.348 10.650 9.014 1.00 32.21 H new ATOM 2159 N GLU A 128 10.943 6.324 11.941 1.00 72.31 N ATOM 2160 CA GLU A 128 10.654 5.596 13.193 1.00 51.12 C ATOM 2161 C GLU A 128 11.424 6.218 14.382 1.00 31.41 C ATOM 2162 O GLU A 128 10.810 6.681 15.352 1.00 10.24 O ATOM 2163 CB GLU A 128 10.983 4.093 13.012 1.00 33.13 C ATOM 2164 CG GLU A 128 10.664 3.182 14.233 1.00 44.42 C ATOM 2165 CD GLU A 128 11.873 2.869 15.130 1.00 24.44 C ATOM 2166 OE1 GLU A 128 12.730 2.053 14.720 1.00 5.54 O ATOM 2167 OE2 GLU A 128 11.970 3.416 16.236 1.00 0.55 O ATOM 0 H GLU A 128 11.431 5.763 11.243 1.00 72.31 H new ATOM 0 HA GLU A 128 9.592 5.684 13.423 1.00 51.12 H new ATOM 0 HB2 GLU A 128 10.431 3.720 12.149 1.00 33.13 H new ATOM 0 HB3 GLU A 128 12.043 3.997 12.777 1.00 33.13 H new ATOM 0 HG2 GLU A 128 9.894 3.663 14.837 1.00 44.42 H new ATOM 0 HG3 GLU A 128 10.245 2.244 13.870 1.00 44.42 H new ATOM 2174 N HIS A 129 12.770 6.256 14.293 1.00 3.33 N ATOM 2175 CA HIS A 129 13.609 6.990 15.268 1.00 4.22 C ATOM 2176 C HIS A 129 13.803 8.443 14.783 1.00 24.02 C ATOM 2177 O HIS A 129 14.929 8.903 14.547 1.00 41.22 O ATOM 2178 CB HIS A 129 14.977 6.281 15.517 1.00 10.41 C ATOM 2179 CG HIS A 129 14.915 5.057 16.392 1.00 13.10 C ATOM 2180 ND1 HIS A 129 15.402 3.825 16.013 1.00 12.43 N ATOM 2181 CD2 HIS A 129 14.450 4.897 17.654 1.00 4.25 C ATOM 2182 CE1 HIS A 129 15.241 2.970 16.998 1.00 34.24 C ATOM 2183 NE2 HIS A 129 14.666 3.589 18.007 1.00 1.43 N ATOM 0 H HIS A 129 13.300 5.788 13.558 1.00 3.33 H new ATOM 0 HA HIS A 129 13.094 7.000 16.229 1.00 4.22 H new ATOM 0 HB2 HIS A 129 15.402 5.998 14.554 1.00 10.41 H new ATOM 0 HB3 HIS A 129 15.662 6.997 15.970 1.00 10.41 H new ATOM 0 HD2 HIS A 129 13.993 5.659 18.269 1.00 4.25 H new ATOM 0 HE1 HIS A 129 15.533 1.930 16.982 1.00 34.24 H new ATOM 0 HE2 HIS A 129 14.422 3.167 18.903 1.00 1.43 H new ATOM 2192 N HIS A 130 12.668 9.139 14.588 1.00 65.42 N ATOM 2193 CA HIS A 130 12.628 10.585 14.312 1.00 2.22 C ATOM 2194 C HIS A 130 13.116 11.378 15.550 1.00 31.31 C ATOM 2195 O HIS A 130 12.341 11.695 16.455 1.00 13.43 O ATOM 2196 CB HIS A 130 11.193 11.029 13.848 1.00 75.22 C ATOM 2197 CG HIS A 130 10.034 10.697 14.785 1.00 40.52 C ATOM 2198 ND1 HIS A 130 8.836 11.382 14.773 1.00 52.20 N ATOM 2199 CD2 HIS A 130 9.890 9.742 15.748 1.00 65.23 C ATOM 2200 CE1 HIS A 130 8.026 10.862 15.674 1.00 53.52 C ATOM 2201 NE2 HIS A 130 8.643 9.871 16.275 1.00 52.23 N ATOM 0 H HIS A 130 11.744 8.708 14.618 1.00 65.42 H new ATOM 0 HA HIS A 130 13.307 10.808 13.489 1.00 2.22 H new ATOM 0 HB2 HIS A 130 11.205 12.108 13.691 1.00 75.22 H new ATOM 0 HB3 HIS A 130 10.991 10.569 12.881 1.00 75.22 H new ATOM 0 HD1 HIS A 130 8.612 12.168 14.162 1.00 52.20 H new ATOM 0 HD2 HIS A 130 10.633 9.014 16.040 1.00 65.23 H new ATOM 0 HE1 HIS A 130 7.021 11.196 15.883 1.00 53.52 H new ATOM 2210 N HIS A 131 14.440 11.616 15.591 1.00 41.24 N ATOM 2211 CA HIS A 131 15.108 12.410 16.646 1.00 13.12 C ATOM 2212 C HIS A 131 14.498 13.824 16.712 1.00 12.31 C ATOM 2213 O HIS A 131 14.163 14.329 17.789 1.00 4.20 O ATOM 2214 CB HIS A 131 16.633 12.468 16.351 1.00 10.34 C ATOM 2215 CG HIS A 131 17.460 13.226 17.362 1.00 64.14 C ATOM 2216 ND1 HIS A 131 18.063 12.621 18.444 1.00 61.14 N ATOM 2217 CD2 HIS A 131 17.812 14.534 17.425 1.00 53.20 C ATOM 2218 CE1 HIS A 131 18.735 13.525 19.127 1.00 41.40 C ATOM 2219 NE2 HIS A 131 18.602 14.691 18.529 1.00 74.41 N ATOM 0 H HIS A 131 15.086 11.260 14.886 1.00 41.24 H new ATOM 0 HA HIS A 131 14.957 11.938 17.617 1.00 13.12 H new ATOM 0 HB2 HIS A 131 17.013 11.448 16.288 1.00 10.34 H new ATOM 0 HB3 HIS A 131 16.779 12.924 15.372 1.00 10.34 H new ATOM 0 HD2 HIS A 131 17.522 15.309 16.731 1.00 53.20 H new ATOM 0 HE1 HIS A 131 19.301 13.341 20.028 1.00 41.40 H new ATOM 0 HE2 HIS A 131 19.020 15.568 18.839 1.00 74.41 H new ATOM 2228 N HIS A 132 14.366 14.438 15.530 1.00 10.43 N ATOM 2229 CA HIS A 132 13.661 15.708 15.352 1.00 12.44 C ATOM 2230 C HIS A 132 12.160 15.407 15.212 1.00 62.03 C ATOM 2231 O HIS A 132 11.774 14.556 14.397 1.00 61.55 O ATOM 2232 CB HIS A 132 14.198 16.440 14.101 1.00 61.02 C ATOM 2233 CG HIS A 132 13.664 17.834 13.916 1.00 25.21 C ATOM 2234 ND1 HIS A 132 12.633 18.139 13.052 1.00 42.24 N ATOM 2235 CD2 HIS A 132 14.033 19.009 14.481 1.00 63.32 C ATOM 2236 CE1 HIS A 132 12.401 19.434 13.089 1.00 55.12 C ATOM 2237 NE2 HIS A 132 13.234 19.981 13.951 1.00 10.21 N ATOM 0 H HIS A 132 14.750 14.061 14.663 1.00 10.43 H new ATOM 0 HA HIS A 132 13.823 16.359 16.211 1.00 12.44 H new ATOM 0 HB2 HIS A 132 15.285 16.486 14.162 1.00 61.02 H new ATOM 0 HB3 HIS A 132 13.953 15.850 13.218 1.00 61.02 H new ATOM 0 HD2 HIS A 132 14.814 19.150 15.214 1.00 63.32 H new ATOM 0 HE1 HIS A 132 11.655 19.959 12.511 1.00 55.12 H new ATOM 0 HE2 HIS A 132 13.275 20.973 14.185 1.00 10.21 H new ATOM 2246 N HIS A 133 11.332 16.097 16.014 1.00 33.41 N ATOM 2247 CA HIS A 133 9.876 15.880 16.044 1.00 3.14 C ATOM 2248 C HIS A 133 9.224 16.380 14.736 1.00 33.03 C ATOM 2249 O HIS A 133 9.293 17.571 14.412 1.00 54.34 O ATOM 2250 CB HIS A 133 9.240 16.571 17.282 1.00 33.54 C ATOM 2251 CG HIS A 133 9.569 15.905 18.591 1.00 23.34 C ATOM 2252 ND1 HIS A 133 10.829 15.926 19.155 1.00 34.01 N ATOM 2253 CD2 HIS A 133 8.802 15.172 19.431 1.00 73.21 C ATOM 2254 CE1 HIS A 133 10.816 15.250 20.284 1.00 53.41 C ATOM 2255 NE2 HIS A 133 9.598 14.785 20.471 1.00 62.00 N ATOM 0 H HIS A 133 11.652 16.820 16.659 1.00 33.41 H new ATOM 0 HA HIS A 133 9.692 14.809 16.126 1.00 3.14 H new ATOM 0 HB2 HIS A 133 9.575 17.607 17.319 1.00 33.54 H new ATOM 0 HB3 HIS A 133 8.157 16.591 17.158 1.00 33.54 H new ATOM 0 HD2 HIS A 133 7.756 14.937 19.303 1.00 73.21 H new ATOM 0 HE1 HIS A 133 11.659 15.102 20.943 1.00 53.41 H new ATOM 0 HE2 HIS A 133 9.297 14.224 21.268 1.00 62.00 H new ATOM 2264 N HIS A 134 8.636 15.433 13.987 1.00 64.04 N ATOM 2265 CA HIS A 134 7.912 15.695 12.729 1.00 51.01 C ATOM 2266 C HIS A 134 7.035 14.470 12.352 1.00 41.43 C ATOM 2267 O HIS A 134 6.113 14.619 11.531 1.00 4.33 O ATOM 2268 CB HIS A 134 8.888 16.088 11.563 1.00 11.42 C ATOM 2269 CG HIS A 134 9.907 15.041 11.136 1.00 33.24 C ATOM 2270 ND1 HIS A 134 10.694 15.195 10.018 1.00 44.43 N ATOM 2271 CD2 HIS A 134 10.274 13.852 11.678 1.00 15.22 C ATOM 2272 CE1 HIS A 134 11.493 14.159 9.896 1.00 24.33 C ATOM 2273 NE2 HIS A 134 11.256 13.330 10.890 1.00 34.23 N ATOM 2274 OXT HIS A 134 7.269 13.361 12.902 1.00 37.91 O ATOM 0 H HIS A 134 8.650 14.445 14.242 1.00 64.04 H new ATOM 0 HA HIS A 134 7.257 16.552 12.887 1.00 51.01 H new ATOM 0 HB2 HIS A 134 8.288 16.352 10.692 1.00 11.42 H new ATOM 0 HB3 HIS A 134 9.429 16.986 11.861 1.00 11.42 H new ATOM 0 HD2 HIS A 134 9.863 13.402 12.570 1.00 15.22 H new ATOM 0 HE1 HIS A 134 12.221 14.013 9.112 1.00 24.33 H new ATOM 0 HE2 HIS A 134 11.730 12.441 11.046 1.00 34.23 H new TER 2283 HIS A 134