USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 943 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 68 LYS NZ :NH3+ -112:sc= -0.546 (180deg=-2.34!) USER MOD Set 1.2: A 80 THR OG1 : rot 44:sc= 0.122 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= 0 X(o=0,f=0.089) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -111:sc= 0.966 (180deg=-0.0179) USER MOD Set 3.2: A 41 TYR OH : rot -145:sc= 0.886 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.208) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0314 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.206 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0276) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc=-0.000122 (180deg=-0.0967) USER MOD Single : A 21 MET CE :methyl -144:sc= -0.229 (180deg=-0.848) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= -0.0239 (180deg=-0.35) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.1) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00937 (180deg=-0.0974) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.11) USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= -2.41! (180deg=-3.06!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 1.28 (180deg=0.743) USER MOD Single : A 72 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.3) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= 0.328 (180deg=-0.604!) USER MOD Single : A 74 MET CE :methyl -159:sc= -0.2 (180deg=-0.508) USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= 0.416 (180deg=-0.395!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.09) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.145 K(o=-0.14,f=-0.77) USER MOD Single : A 106 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.79) USER MOD Single : A 108 HIS : no HE2:sc= -0.669 K(o=-0.67,f=-2.5!) USER MOD Single : A 109 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.0096) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.007 17.019 5.143 1.00 71.23 N ATOM 2 CA MET A 1 -0.724 15.856 4.573 1.00 41.13 C ATOM 3 C MET A 1 0.038 14.553 4.856 1.00 14.51 C ATOM 4 O MET A 1 1.265 14.552 4.933 1.00 32.44 O ATOM 5 CB MET A 1 -0.888 16.042 3.058 1.00 60.43 C ATOM 6 CG MET A 1 -1.956 15.162 2.427 1.00 51.13 C ATOM 7 SD MET A 1 -3.622 15.677 2.882 1.00 64.52 S ATOM 8 CE MET A 1 -4.611 14.608 1.837 1.00 51.14 C ATOM 0 H1 MET A 1 -0.570 17.461 5.887 1.00 71.23 H new ATOM 0 H2 MET A 1 0.909 16.697 5.549 1.00 71.23 H new ATOM 0 H3 MET A 1 0.194 17.714 4.392 1.00 71.23 H new ATOM 0 HA MET A 1 -1.707 15.795 5.041 1.00 41.13 H new ATOM 0 HB2 MET A 1 -1.129 17.086 2.857 1.00 60.43 H new ATOM 0 HB3 MET A 1 0.067 15.837 2.574 1.00 60.43 H new ATOM 0 HG2 MET A 1 -1.853 15.190 1.342 1.00 51.13 H new ATOM 0 HG3 MET A 1 -1.801 14.128 2.735 1.00 51.13 H new ATOM 0 HE1 MET A 1 -5.650 14.938 1.858 1.00 51.14 H new ATOM 0 HE2 MET A 1 -4.237 14.652 0.814 1.00 51.14 H new ATOM 0 HE3 MET A 1 -4.549 13.583 2.203 1.00 51.14 H new ATOM 20 N LEU A 2 -0.684 13.447 5.007 1.00 42.11 N ATOM 21 CA LEU A 2 -0.052 12.150 5.267 1.00 1.14 C ATOM 22 C LEU A 2 -0.141 11.235 4.038 1.00 54.14 C ATOM 23 O LEU A 2 -1.182 11.150 3.384 1.00 72.35 O ATOM 24 CB LEU A 2 -0.697 11.455 6.477 1.00 32.51 C ATOM 25 CG LEU A 2 -0.598 12.213 7.818 1.00 72.44 C ATOM 26 CD1 LEU A 2 -1.660 13.308 7.914 1.00 42.42 C ATOM 27 CD2 LEU A 2 -0.703 11.244 8.992 1.00 74.03 C ATOM 0 H LEU A 2 -1.702 13.418 4.955 1.00 42.11 H new ATOM 0 HA LEU A 2 0.999 12.339 5.488 1.00 1.14 H new ATOM 0 HB2 LEU A 2 -1.750 11.284 6.255 1.00 32.51 H new ATOM 0 HB3 LEU A 2 -0.234 10.476 6.599 1.00 32.51 H new ATOM 0 HG LEU A 2 0.378 12.696 7.861 1.00 72.44 H new ATOM 0 HD11 LEU A 2 -1.565 13.824 8.869 1.00 42.42 H new ATOM 0 HD12 LEU A 2 -1.522 14.021 7.101 1.00 42.42 H new ATOM 0 HD13 LEU A 2 -2.651 12.861 7.840 1.00 42.42 H new ATOM 0 HD21 LEU A 2 -0.631 11.798 9.928 1.00 74.03 H new ATOM 0 HD22 LEU A 2 -1.660 10.724 8.950 1.00 74.03 H new ATOM 0 HD23 LEU A 2 0.107 10.517 8.937 1.00 74.03 H new ATOM 39 N LEU A 3 0.960 10.558 3.728 1.00 15.31 N ATOM 40 CA LEU A 3 1.018 9.623 2.598 1.00 55.14 C ATOM 41 C LEU A 3 1.539 8.246 3.060 1.00 50.24 C ATOM 42 O LEU A 3 2.690 8.116 3.483 1.00 70.22 O ATOM 43 CB LEU A 3 1.924 10.196 1.496 1.00 14.44 C ATOM 44 CG LEU A 3 1.479 11.550 0.904 1.00 14.10 C ATOM 45 CD1 LEU A 3 2.523 12.093 -0.068 1.00 13.42 C ATOM 46 CD2 LEU A 3 0.125 11.420 0.212 1.00 63.03 C ATOM 0 H LEU A 3 1.835 10.638 4.246 1.00 15.31 H new ATOM 0 HA LEU A 3 0.013 9.490 2.199 1.00 55.14 H new ATOM 0 HB2 LEU A 3 2.930 10.309 1.900 1.00 14.44 H new ATOM 0 HB3 LEU A 3 1.986 9.469 0.687 1.00 14.44 H new ATOM 0 HG LEU A 3 1.380 12.257 1.728 1.00 14.10 H new ATOM 0 HD11 LEU A 3 2.184 13.048 -0.470 1.00 13.42 H new ATOM 0 HD12 LEU A 3 3.468 12.235 0.456 1.00 13.42 H new ATOM 0 HD13 LEU A 3 2.663 11.385 -0.884 1.00 13.42 H new ATOM 0 HD21 LEU A 3 -0.169 12.387 -0.198 1.00 63.03 H new ATOM 0 HD22 LEU A 3 0.197 10.691 -0.595 1.00 63.03 H new ATOM 0 HD23 LEU A 3 -0.622 11.090 0.934 1.00 63.03 H new ATOM 58 N TYR A 4 0.681 7.228 2.996 1.00 21.23 N ATOM 59 CA TYR A 4 1.026 5.877 3.469 1.00 62.21 C ATOM 60 C TYR A 4 1.066 4.857 2.320 1.00 31.32 C ATOM 61 O TYR A 4 0.421 5.039 1.287 1.00 64.44 O ATOM 62 CB TYR A 4 0.013 5.417 4.530 1.00 35.21 C ATOM 63 CG TYR A 4 0.220 6.036 5.903 1.00 42.24 C ATOM 64 CD1 TYR A 4 0.266 7.416 6.078 1.00 13.41 C ATOM 65 CD2 TYR A 4 0.362 5.231 7.028 1.00 44.53 C ATOM 66 CE1 TYR A 4 0.451 7.971 7.330 1.00 63.35 C ATOM 67 CE2 TYR A 4 0.545 5.779 8.280 1.00 21.41 C ATOM 68 CZ TYR A 4 0.589 7.148 8.428 1.00 23.02 C ATOM 69 OH TYR A 4 0.774 7.694 9.678 1.00 34.04 O ATOM 0 H TYR A 4 -0.264 7.309 2.620 1.00 21.23 H new ATOM 0 HA TYR A 4 2.024 5.929 3.905 1.00 62.21 H new ATOM 0 HB2 TYR A 4 -0.992 5.657 4.184 1.00 35.21 H new ATOM 0 HB3 TYR A 4 0.068 4.332 4.621 1.00 35.21 H new ATOM 0 HD1 TYR A 4 0.155 8.064 5.221 1.00 13.41 H new ATOM 0 HD2 TYR A 4 0.328 4.157 6.919 1.00 44.53 H new ATOM 0 HE1 TYR A 4 0.487 9.044 7.448 1.00 63.35 H new ATOM 0 HE2 TYR A 4 0.653 5.137 9.142 1.00 21.41 H new ATOM 0 HH TYR A 4 0.852 6.976 10.340 1.00 34.04 H new ATOM 79 N VAL A 5 1.822 3.777 2.518 1.00 34.52 N ATOM 80 CA VAL A 5 1.949 2.716 1.508 1.00 32.40 C ATOM 81 C VAL A 5 1.731 1.320 2.124 1.00 53.22 C ATOM 82 O VAL A 5 2.350 0.965 3.126 1.00 14.24 O ATOM 83 CB VAL A 5 3.342 2.755 0.823 1.00 4.14 C ATOM 84 CG1 VAL A 5 3.474 1.647 -0.224 1.00 31.14 C ATOM 85 CG2 VAL A 5 3.603 4.124 0.191 1.00 41.42 C ATOM 0 H VAL A 5 2.358 3.610 3.369 1.00 34.52 H new ATOM 0 HA VAL A 5 1.176 2.900 0.762 1.00 32.40 H new ATOM 0 HB VAL A 5 4.094 2.584 1.593 1.00 4.14 H new ATOM 0 HG11 VAL A 5 4.459 1.699 -0.687 1.00 31.14 H new ATOM 0 HG12 VAL A 5 3.349 0.676 0.256 1.00 31.14 H new ATOM 0 HG13 VAL A 5 2.707 1.775 -0.988 1.00 31.14 H new ATOM 0 HG21 VAL A 5 4.585 4.125 -0.282 1.00 41.42 H new ATOM 0 HG22 VAL A 5 2.839 4.330 -0.558 1.00 41.42 H new ATOM 0 HG23 VAL A 5 3.571 4.893 0.963 1.00 41.42 H new ATOM 95 N LEU A 6 0.840 0.539 1.518 1.00 34.05 N ATOM 96 CA LEU A 6 0.606 -0.856 1.908 1.00 41.14 C ATOM 97 C LEU A 6 1.182 -1.808 0.856 1.00 15.45 C ATOM 98 O LEU A 6 0.867 -1.700 -0.331 1.00 13.22 O ATOM 99 CB LEU A 6 -0.899 -1.133 2.059 1.00 72.44 C ATOM 100 CG LEU A 6 -1.600 -0.401 3.211 1.00 52.34 C ATOM 101 CD1 LEU A 6 -3.085 -0.758 3.246 1.00 22.24 C ATOM 102 CD2 LEU A 6 -0.935 -0.735 4.542 1.00 60.35 C ATOM 0 H LEU A 6 0.258 0.852 0.742 1.00 34.05 H new ATOM 0 HA LEU A 6 1.102 -1.023 2.864 1.00 41.14 H new ATOM 0 HB2 LEU A 6 -1.394 -0.862 1.127 1.00 72.44 H new ATOM 0 HB3 LEU A 6 -1.040 -2.205 2.195 1.00 72.44 H new ATOM 0 HG LEU A 6 -1.509 0.672 3.044 1.00 52.34 H new ATOM 0 HD11 LEU A 6 -3.567 -0.230 4.069 1.00 22.24 H new ATOM 0 HD12 LEU A 6 -3.552 -0.466 2.305 1.00 22.24 H new ATOM 0 HD13 LEU A 6 -3.198 -1.833 3.389 1.00 22.24 H new ATOM 0 HD21 LEU A 6 -1.446 -0.207 5.347 1.00 60.35 H new ATOM 0 HD22 LEU A 6 -0.994 -1.809 4.719 1.00 60.35 H new ATOM 0 HD23 LEU A 6 0.111 -0.429 4.513 1.00 60.35 H new ATOM 114 N ILE A 7 2.022 -2.739 1.286 1.00 60.53 N ATOM 115 CA ILE A 7 2.611 -3.714 0.366 1.00 70.44 C ATOM 116 C ILE A 7 2.136 -5.147 0.668 1.00 11.51 C ATOM 117 O ILE A 7 2.485 -5.739 1.696 1.00 14.14 O ATOM 118 CB ILE A 7 4.162 -3.644 0.380 1.00 52.54 C ATOM 119 CG1 ILE A 7 4.759 -4.705 -0.560 1.00 31.12 C ATOM 120 CG2 ILE A 7 4.711 -3.799 1.798 1.00 55.31 C ATOM 121 CD1 ILE A 7 6.267 -4.664 -0.650 1.00 72.03 C ATOM 0 H ILE A 7 2.312 -2.843 2.258 1.00 60.53 H new ATOM 0 HA ILE A 7 2.265 -3.450 -0.634 1.00 70.44 H new ATOM 0 HB ILE A 7 4.458 -2.659 0.018 1.00 52.54 H new ATOM 0 HG12 ILE A 7 4.452 -5.693 -0.218 1.00 31.12 H new ATOM 0 HG13 ILE A 7 4.341 -4.569 -1.558 1.00 31.12 H new ATOM 0 HG21 ILE A 7 5.799 -3.746 1.775 1.00 55.31 H new ATOM 0 HG22 ILE A 7 4.322 -2.999 2.428 1.00 55.31 H new ATOM 0 HG23 ILE A 7 4.404 -4.763 2.204 1.00 55.31 H new ATOM 0 HD11 ILE A 7 6.612 -5.442 -1.331 1.00 72.03 H new ATOM 0 HD12 ILE A 7 6.583 -3.689 -1.022 1.00 72.03 H new ATOM 0 HD13 ILE A 7 6.695 -4.831 0.338 1.00 72.03 H new ATOM 133 N ILE A 8 1.312 -5.688 -0.226 1.00 54.04 N ATOM 134 CA ILE A 8 0.860 -7.078 -0.136 1.00 45.21 C ATOM 135 C ILE A 8 1.686 -7.964 -1.078 1.00 21.15 C ATOM 136 O ILE A 8 1.489 -7.953 -2.296 1.00 43.13 O ATOM 137 CB ILE A 8 -0.645 -7.210 -0.498 1.00 13.11 C ATOM 138 CG1 ILE A 8 -1.489 -6.290 0.400 1.00 52.50 C ATOM 139 CG2 ILE A 8 -1.106 -8.662 -0.366 1.00 24.44 C ATOM 140 CD1 ILE A 8 -2.968 -6.291 0.072 1.00 74.03 C ATOM 0 H ILE A 8 0.940 -5.181 -1.029 1.00 54.04 H new ATOM 0 HA ILE A 8 0.998 -7.404 0.895 1.00 45.21 H new ATOM 0 HB ILE A 8 -0.781 -6.904 -1.535 1.00 13.11 H new ATOM 0 HG12 ILE A 8 -1.358 -6.594 1.438 1.00 52.50 H new ATOM 0 HG13 ILE A 8 -1.110 -5.271 0.316 1.00 52.50 H new ATOM 0 HG21 ILE A 8 -2.163 -8.733 -0.624 1.00 24.44 H new ATOM 0 HG22 ILE A 8 -0.525 -9.291 -1.040 1.00 24.44 H new ATOM 0 HG23 ILE A 8 -0.960 -8.998 0.660 1.00 24.44 H new ATOM 0 HD11 ILE A 8 -3.492 -5.617 0.750 1.00 74.03 H new ATOM 0 HD12 ILE A 8 -3.113 -5.956 -0.955 1.00 74.03 H new ATOM 0 HD13 ILE A 8 -3.365 -7.300 0.184 1.00 74.03 H new ATOM 152 N SER A 9 2.612 -8.729 -0.510 1.00 72.51 N ATOM 153 CA SER A 9 3.507 -9.576 -1.310 1.00 64.32 C ATOM 154 C SER A 9 4.059 -10.744 -0.495 1.00 10.14 C ATOM 155 O SER A 9 4.112 -10.697 0.734 1.00 42.55 O ATOM 156 CB SER A 9 4.679 -8.757 -1.874 1.00 41.14 C ATOM 157 OG SER A 9 5.599 -9.591 -2.569 1.00 3.34 O ATOM 0 H SER A 9 2.767 -8.784 0.497 1.00 72.51 H new ATOM 0 HA SER A 9 2.912 -9.974 -2.132 1.00 64.32 H new ATOM 0 HB2 SER A 9 4.299 -7.989 -2.548 1.00 41.14 H new ATOM 0 HB3 SER A 9 5.192 -8.243 -1.061 1.00 41.14 H new ATOM 0 HG SER A 9 6.334 -9.046 -2.920 1.00 3.34 H new ATOM 163 N ASN A 10 4.479 -11.787 -1.200 1.00 52.53 N ATOM 164 CA ASN A 10 5.047 -12.980 -0.569 1.00 0.22 C ATOM 165 C ASN A 10 6.558 -13.083 -0.835 1.00 43.12 C ATOM 166 O ASN A 10 7.189 -14.094 -0.518 1.00 61.33 O ATOM 167 CB ASN A 10 4.326 -14.227 -1.090 1.00 74.23 C ATOM 168 CG ASN A 10 2.830 -14.179 -0.828 1.00 35.52 C ATOM 169 OD1 ASN A 10 2.056 -13.682 -1.643 1.00 74.51 O ATOM 170 ND2 ASN A 10 2.410 -14.690 0.311 1.00 55.45 N ATOM 0 H ASN A 10 4.438 -11.834 -2.218 1.00 52.53 H new ATOM 0 HA ASN A 10 4.905 -12.904 0.509 1.00 0.22 H new ATOM 0 HB2 ASN A 10 4.502 -14.325 -2.161 1.00 74.23 H new ATOM 0 HB3 ASN A 10 4.748 -15.113 -0.615 1.00 74.23 H new ATOM 0 HD21 ASN A 10 1.416 -14.681 0.538 1.00 55.45 H new ATOM 0 HD22 ASN A 10 3.079 -15.095 0.966 1.00 55.45 H new ATOM 177 N ASP A 11 7.137 -12.032 -1.422 1.00 4.13 N ATOM 178 CA ASP A 11 8.579 -11.993 -1.698 1.00 55.54 C ATOM 179 C ASP A 11 9.271 -10.887 -0.886 1.00 63.14 C ATOM 180 O ASP A 11 8.915 -9.711 -0.984 1.00 61.31 O ATOM 181 CB ASP A 11 8.843 -11.785 -3.194 1.00 2.24 C ATOM 182 CG ASP A 11 10.327 -11.669 -3.500 1.00 43.01 C ATOM 183 OD1 ASP A 11 11.104 -12.513 -3.007 1.00 21.02 O ATOM 184 OD2 ASP A 11 10.725 -10.715 -4.201 1.00 4.31 O ATOM 0 H ASP A 11 6.631 -11.196 -1.716 1.00 4.13 H new ATOM 0 HA ASP A 11 8.996 -12.954 -1.397 1.00 55.54 H new ATOM 0 HB2 ASP A 11 8.421 -12.618 -3.756 1.00 2.24 H new ATOM 0 HB3 ASP A 11 8.332 -10.883 -3.530 1.00 2.24 H new ATOM 189 N LYS A 12 10.284 -11.269 -0.111 1.00 0.30 N ATOM 190 CA LYS A 12 10.976 -10.328 0.776 1.00 41.44 C ATOM 191 C LYS A 12 11.903 -9.380 0.003 1.00 22.04 C ATOM 192 O LYS A 12 12.182 -8.272 0.461 1.00 62.23 O ATOM 193 CB LYS A 12 11.765 -11.093 1.846 1.00 11.32 C ATOM 194 CG LYS A 12 10.893 -11.995 2.722 1.00 4.11 C ATOM 195 CD LYS A 12 9.742 -11.223 3.364 1.00 45.21 C ATOM 196 CE LYS A 12 8.851 -12.120 4.216 1.00 73.52 C ATOM 197 NZ LYS A 12 9.551 -12.615 5.429 1.00 44.13 N ATOM 0 H LYS A 12 10.646 -12.222 -0.077 1.00 0.30 H new ATOM 0 HA LYS A 12 10.216 -9.714 1.259 1.00 41.44 H new ATOM 0 HB2 LYS A 12 12.527 -11.701 1.358 1.00 11.32 H new ATOM 0 HB3 LYS A 12 12.287 -10.378 2.482 1.00 11.32 H new ATOM 0 HG2 LYS A 12 10.492 -12.810 2.119 1.00 4.11 H new ATOM 0 HG3 LYS A 12 11.506 -12.447 3.501 1.00 4.11 H new ATOM 0 HD2 LYS A 12 10.145 -10.421 3.983 1.00 45.21 H new ATOM 0 HD3 LYS A 12 9.142 -10.753 2.584 1.00 45.21 H new ATOM 0 HE2 LYS A 12 7.960 -11.568 4.513 1.00 73.52 H new ATOM 0 HE3 LYS A 12 8.516 -12.969 3.620 1.00 73.52 H new ATOM 0 HZ1 LYS A 12 8.888 -13.165 6.012 1.00 44.13 H new ATOM 0 HZ2 LYS A 12 10.348 -13.220 5.147 1.00 44.13 H new ATOM 0 HZ3 LYS A 12 9.907 -11.807 5.978 1.00 44.13 H new ATOM 211 N LYS A 13 12.370 -9.802 -1.173 1.00 30.04 N ATOM 212 CA LYS A 13 13.229 -8.944 -2.001 1.00 64.13 C ATOM 213 C LYS A 13 12.425 -7.762 -2.555 1.00 75.10 C ATOM 214 O LYS A 13 12.880 -6.617 -2.531 1.00 51.52 O ATOM 215 CB LYS A 13 13.867 -9.730 -3.159 1.00 20.11 C ATOM 216 CG LYS A 13 14.856 -10.812 -2.723 1.00 64.34 C ATOM 217 CD LYS A 13 14.158 -12.031 -2.129 1.00 0.21 C ATOM 218 CE LYS A 13 15.148 -13.123 -1.749 1.00 44.53 C ATOM 219 NZ LYS A 13 14.463 -14.344 -1.251 1.00 25.44 N ATOM 0 H LYS A 13 12.173 -10.720 -1.573 1.00 30.04 H new ATOM 0 HA LYS A 13 14.031 -8.570 -1.365 1.00 64.13 H new ATOM 0 HB2 LYS A 13 13.075 -10.195 -3.746 1.00 20.11 H new ATOM 0 HB3 LYS A 13 14.381 -9.029 -3.817 1.00 20.11 H new ATOM 0 HG2 LYS A 13 15.454 -11.121 -3.580 1.00 64.34 H new ATOM 0 HG3 LYS A 13 15.544 -10.396 -1.987 1.00 64.34 H new ATOM 0 HD2 LYS A 13 13.592 -11.731 -1.247 1.00 0.21 H new ATOM 0 HD3 LYS A 13 13.441 -12.426 -2.849 1.00 0.21 H new ATOM 0 HE2 LYS A 13 15.758 -13.377 -2.616 1.00 44.53 H new ATOM 0 HE3 LYS A 13 15.825 -12.748 -0.981 1.00 44.53 H new ATOM 0 HZ1 LYS A 13 15.172 -15.063 -1.003 1.00 25.44 H new ATOM 0 HZ2 LYS A 13 13.901 -14.107 -0.409 1.00 25.44 H new ATOM 0 HZ3 LYS A 13 13.836 -14.717 -1.992 1.00 25.44 H new ATOM 233 N LEU A 14 11.225 -8.055 -3.052 1.00 75.22 N ATOM 234 CA LEU A 14 10.295 -7.020 -3.510 1.00 13.32 C ATOM 235 C LEU A 14 9.986 -6.033 -2.370 1.00 25.24 C ATOM 236 O LEU A 14 9.931 -4.821 -2.579 1.00 72.31 O ATOM 237 CB LEU A 14 9.011 -7.689 -4.041 1.00 44.25 C ATOM 238 CG LEU A 14 8.026 -6.777 -4.808 1.00 50.25 C ATOM 239 CD1 LEU A 14 7.166 -7.601 -5.766 1.00 0.22 C ATOM 240 CD2 LEU A 14 7.132 -5.993 -3.848 1.00 51.33 C ATOM 0 H LEU A 14 10.870 -9.006 -3.149 1.00 75.22 H new ATOM 0 HA LEU A 14 10.750 -6.450 -4.320 1.00 13.32 H new ATOM 0 HB2 LEU A 14 9.300 -8.509 -4.699 1.00 44.25 H new ATOM 0 HB3 LEU A 14 8.481 -8.130 -3.196 1.00 44.25 H new ATOM 0 HG LEU A 14 8.617 -6.064 -5.384 1.00 50.25 H new ATOM 0 HD11 LEU A 14 6.479 -6.942 -6.297 1.00 0.22 H new ATOM 0 HD12 LEU A 14 7.808 -8.111 -6.485 1.00 0.22 H new ATOM 0 HD13 LEU A 14 6.597 -8.339 -5.201 1.00 0.22 H new ATOM 0 HD21 LEU A 14 6.451 -5.361 -4.419 1.00 51.33 H new ATOM 0 HD22 LEU A 14 6.556 -6.688 -3.237 1.00 51.33 H new ATOM 0 HD23 LEU A 14 7.750 -5.369 -3.202 1.00 51.33 H new ATOM 252 N ILE A 15 9.803 -6.565 -1.159 1.00 3.20 N ATOM 253 CA ILE A 15 9.581 -5.733 0.029 1.00 10.01 C ATOM 254 C ILE A 15 10.787 -4.814 0.309 1.00 24.33 C ATOM 255 O ILE A 15 10.620 -3.626 0.590 1.00 51.21 O ATOM 256 CB ILE A 15 9.283 -6.605 1.278 1.00 74.15 C ATOM 257 CG1 ILE A 15 8.019 -7.455 1.040 1.00 60.11 C ATOM 258 CG2 ILE A 15 9.123 -5.737 2.530 1.00 11.32 C ATOM 259 CD1 ILE A 15 7.671 -8.390 2.181 1.00 64.14 C ATOM 0 H ILE A 15 9.804 -7.568 -0.974 1.00 3.20 H new ATOM 0 HA ILE A 15 8.712 -5.109 -0.178 1.00 10.01 H new ATOM 0 HB ILE A 15 10.129 -7.272 1.442 1.00 74.15 H new ATOM 0 HG12 ILE A 15 7.175 -6.788 0.862 1.00 60.11 H new ATOM 0 HG13 ILE A 15 8.157 -8.043 0.133 1.00 60.11 H new ATOM 0 HG21 ILE A 15 8.915 -6.374 3.390 1.00 11.32 H new ATOM 0 HG22 ILE A 15 10.043 -5.179 2.706 1.00 11.32 H new ATOM 0 HG23 ILE A 15 8.297 -5.040 2.386 1.00 11.32 H new ATOM 0 HD11 ILE A 15 6.770 -8.949 1.931 1.00 64.14 H new ATOM 0 HD12 ILE A 15 8.495 -9.084 2.347 1.00 64.14 H new ATOM 0 HD13 ILE A 15 7.498 -7.810 3.087 1.00 64.14 H new ATOM 271 N GLU A 16 11.998 -5.368 0.225 1.00 35.33 N ATOM 272 CA GLU A 16 13.229 -4.582 0.406 1.00 33.32 C ATOM 273 C GLU A 16 13.313 -3.428 -0.608 1.00 72.31 C ATOM 274 O GLU A 16 13.521 -2.272 -0.231 1.00 41.01 O ATOM 275 CB GLU A 16 14.469 -5.483 0.275 1.00 22.40 C ATOM 276 CG GLU A 16 14.633 -6.488 1.412 1.00 15.23 C ATOM 277 CD GLU A 16 14.857 -5.814 2.757 1.00 74.41 C ATOM 278 OE1 GLU A 16 16.014 -5.451 3.062 1.00 44.25 O ATOM 279 OE2 GLU A 16 13.881 -5.628 3.514 1.00 70.32 O ATOM 0 H GLU A 16 12.157 -6.357 0.033 1.00 35.33 H new ATOM 0 HA GLU A 16 13.201 -4.155 1.408 1.00 33.32 H new ATOM 0 HB2 GLU A 16 14.413 -6.025 -0.669 1.00 22.40 H new ATOM 0 HB3 GLU A 16 15.358 -4.854 0.229 1.00 22.40 H new ATOM 0 HG2 GLU A 16 13.744 -7.117 1.468 1.00 15.23 H new ATOM 0 HG3 GLU A 16 15.475 -7.145 1.194 1.00 15.23 H new ATOM 286 N GLU A 17 13.142 -3.755 -1.889 1.00 73.24 N ATOM 287 CA GLU A 17 13.142 -2.754 -2.964 1.00 71.42 C ATOM 288 C GLU A 17 12.109 -1.649 -2.703 1.00 51.34 C ATOM 289 O GLU A 17 12.373 -0.464 -2.926 1.00 61.40 O ATOM 290 CB GLU A 17 12.851 -3.428 -4.314 1.00 53.05 C ATOM 291 CG GLU A 17 13.969 -4.340 -4.818 1.00 32.54 C ATOM 292 CD GLU A 17 15.245 -3.586 -5.160 1.00 34.11 C ATOM 293 OE1 GLU A 17 15.235 -2.791 -6.126 1.00 35.23 O ATOM 294 OE2 GLU A 17 16.273 -3.799 -4.481 1.00 51.32 O ATOM 0 H GLU A 17 13.000 -4.712 -2.212 1.00 73.24 H new ATOM 0 HA GLU A 17 14.130 -2.295 -2.991 1.00 71.42 H new ATOM 0 HB2 GLU A 17 11.935 -4.012 -4.225 1.00 53.05 H new ATOM 0 HB3 GLU A 17 12.665 -2.655 -5.060 1.00 53.05 H new ATOM 0 HG2 GLU A 17 14.189 -5.089 -4.057 1.00 32.54 H new ATOM 0 HG3 GLU A 17 13.622 -4.875 -5.702 1.00 32.54 H new ATOM 301 N ALA A 18 10.931 -2.045 -2.230 1.00 64.02 N ATOM 302 CA ALA A 18 9.869 -1.093 -1.905 1.00 1.32 C ATOM 303 C ALA A 18 10.270 -0.172 -0.742 1.00 74.32 C ATOM 304 O ALA A 18 10.052 1.042 -0.798 1.00 72.54 O ATOM 305 CB ALA A 18 8.582 -1.838 -1.574 1.00 51.13 C ATOM 0 H ALA A 18 10.686 -3.021 -2.062 1.00 64.02 H new ATOM 0 HA ALA A 18 9.704 -0.464 -2.780 1.00 1.32 H new ATOM 0 HB1 ALA A 18 7.798 -1.120 -1.333 1.00 51.13 H new ATOM 0 HB2 ALA A 18 8.276 -2.435 -2.433 1.00 51.13 H new ATOM 0 HB3 ALA A 18 8.750 -2.492 -0.718 1.00 51.13 H new ATOM 311 N ARG A 19 10.860 -0.747 0.310 1.00 34.40 N ATOM 312 CA ARG A 19 11.302 0.043 1.467 1.00 64.14 C ATOM 313 C ARG A 19 12.324 1.110 1.058 1.00 4.41 C ATOM 314 O ARG A 19 12.189 2.273 1.425 1.00 32.45 O ATOM 315 CB ARG A 19 11.910 -0.847 2.560 1.00 63.25 C ATOM 316 CG ARG A 19 10.928 -1.828 3.197 1.00 64.53 C ATOM 317 CD ARG A 19 11.478 -2.418 4.497 1.00 73.20 C ATOM 318 NE ARG A 19 12.771 -3.083 4.315 1.00 64.40 N ATOM 319 CZ ARG A 19 13.923 -2.576 4.672 1.00 62.53 C ATOM 320 NH1 ARG A 19 14.003 -1.385 5.171 1.00 73.52 N ATOM 321 NH2 ARG A 19 14.999 -3.262 4.516 1.00 35.33 N ATOM 0 H ARG A 19 11.042 -1.748 0.386 1.00 34.40 H new ATOM 0 HA ARG A 19 10.414 0.534 1.866 1.00 64.14 H new ATOM 0 HB2 ARG A 19 12.740 -1.409 2.133 1.00 63.25 H new ATOM 0 HB3 ARG A 19 12.325 -0.210 3.341 1.00 63.25 H new ATOM 0 HG2 ARG A 19 9.985 -1.319 3.399 1.00 64.53 H new ATOM 0 HG3 ARG A 19 10.712 -2.633 2.495 1.00 64.53 H new ATOM 0 HD2 ARG A 19 11.584 -1.623 5.235 1.00 73.20 H new ATOM 0 HD3 ARG A 19 10.760 -3.133 4.899 1.00 73.20 H new ATOM 0 HE ARG A 19 12.773 -4.005 3.880 1.00 64.40 H new ATOM 0 HH11 ARG A 19 13.159 -0.825 5.292 1.00 73.52 H new ATOM 0 HH12 ARG A 19 14.910 -1.006 5.444 1.00 73.52 H new ATOM 0 HH21 ARG A 19 14.953 -4.199 4.115 1.00 35.33 H new ATOM 0 HH22 ARG A 19 15.899 -2.870 4.793 1.00 35.33 H new ATOM 335 N LYS A 20 13.332 0.703 0.284 1.00 64.32 N ATOM 336 CA LYS A 20 14.389 1.618 -0.169 1.00 64.34 C ATOM 337 C LYS A 20 13.804 2.927 -0.731 1.00 52.25 C ATOM 338 O LYS A 20 14.229 4.021 -0.359 1.00 34.51 O ATOM 339 CB LYS A 20 15.262 0.934 -1.231 1.00 33.21 C ATOM 340 CG LYS A 20 15.939 -0.346 -0.744 1.00 34.11 C ATOM 341 CD LYS A 20 16.719 -1.040 -1.857 1.00 11.35 C ATOM 342 CE LYS A 20 17.908 -0.205 -2.326 1.00 43.03 C ATOM 343 NZ LYS A 20 18.956 -0.091 -1.279 1.00 44.14 N ATOM 0 H LYS A 20 13.441 -0.256 -0.045 1.00 64.32 H new ATOM 0 HA LYS A 20 15.002 1.870 0.696 1.00 64.34 H new ATOM 0 HB2 LYS A 20 14.645 0.700 -2.099 1.00 33.21 H new ATOM 0 HB3 LYS A 20 16.028 1.634 -1.564 1.00 33.21 H new ATOM 0 HG2 LYS A 20 16.614 -0.109 0.078 1.00 34.11 H new ATOM 0 HG3 LYS A 20 15.185 -1.028 -0.350 1.00 34.11 H new ATOM 0 HD2 LYS A 20 17.073 -2.008 -1.503 1.00 11.35 H new ATOM 0 HD3 LYS A 20 16.055 -1.232 -2.700 1.00 11.35 H new ATOM 0 HE2 LYS A 20 18.337 -0.656 -3.221 1.00 43.03 H new ATOM 0 HE3 LYS A 20 17.564 0.791 -2.605 1.00 43.03 H new ATOM 0 HZ1 LYS A 20 19.817 0.319 -1.693 1.00 44.14 H new ATOM 0 HZ2 LYS A 20 18.615 0.523 -0.512 1.00 44.14 H new ATOM 0 HZ3 LYS A 20 19.170 -1.035 -0.898 1.00 44.14 H new ATOM 357 N MET A 21 12.816 2.804 -1.616 1.00 55.41 N ATOM 358 CA MET A 21 12.132 3.974 -2.180 1.00 32.30 C ATOM 359 C MET A 21 11.348 4.745 -1.108 1.00 61.24 C ATOM 360 O MET A 21 11.425 5.976 -1.027 1.00 3.55 O ATOM 361 CB MET A 21 11.185 3.542 -3.307 1.00 44.12 C ATOM 362 CG MET A 21 11.905 3.123 -4.578 1.00 11.23 C ATOM 363 SD MET A 21 12.886 4.464 -5.276 1.00 72.21 S ATOM 364 CE MET A 21 11.626 5.717 -5.524 1.00 52.15 C ATOM 0 H MET A 21 12.469 1.908 -1.960 1.00 55.41 H new ATOM 0 HA MET A 21 12.896 4.640 -2.581 1.00 32.30 H new ATOM 0 HB2 MET A 21 10.571 2.712 -2.957 1.00 44.12 H new ATOM 0 HB3 MET A 21 10.508 4.365 -3.537 1.00 44.12 H new ATOM 0 HG2 MET A 21 12.554 2.274 -4.363 1.00 11.23 H new ATOM 0 HG3 MET A 21 11.174 2.788 -5.314 1.00 11.23 H new ATOM 0 HE1 MET A 21 11.842 6.275 -6.435 1.00 52.15 H new ATOM 0 HE2 MET A 21 10.650 5.239 -5.613 1.00 52.15 H new ATOM 0 HE3 MET A 21 11.619 6.399 -4.674 1.00 52.15 H new ATOM 374 N ALA A 22 10.602 4.017 -0.283 1.00 42.33 N ATOM 375 CA ALA A 22 9.799 4.632 0.777 1.00 52.22 C ATOM 376 C ALA A 22 10.671 5.424 1.766 1.00 35.43 C ATOM 377 O ALA A 22 10.241 6.444 2.306 1.00 65.13 O ATOM 378 CB ALA A 22 8.992 3.568 1.510 1.00 72.12 C ATOM 0 H ALA A 22 10.534 3.000 -0.325 1.00 42.33 H new ATOM 0 HA ALA A 22 9.114 5.338 0.308 1.00 52.22 H new ATOM 0 HB1 ALA A 22 8.399 4.037 2.295 1.00 72.12 H new ATOM 0 HB2 ALA A 22 8.329 3.065 0.806 1.00 72.12 H new ATOM 0 HB3 ALA A 22 9.670 2.839 1.954 1.00 72.12 H new ATOM 384 N GLU A 23 11.897 4.953 1.989 1.00 32.51 N ATOM 385 CA GLU A 23 12.844 5.630 2.884 1.00 74.11 C ATOM 386 C GLU A 23 13.322 6.965 2.291 1.00 31.12 C ATOM 387 O GLU A 23 13.515 7.942 3.017 1.00 54.22 O ATOM 388 CB GLU A 23 14.048 4.725 3.174 1.00 22.04 C ATOM 389 CG GLU A 23 13.684 3.410 3.860 1.00 42.14 C ATOM 390 CD GLU A 23 14.900 2.532 4.114 1.00 63.31 C ATOM 391 OE1 GLU A 23 15.543 2.684 5.177 1.00 40.02 O ATOM 392 OE2 GLU A 23 15.235 1.701 3.243 1.00 74.33 O ATOM 0 H GLU A 23 12.262 4.102 1.562 1.00 32.51 H new ATOM 0 HA GLU A 23 12.322 5.841 3.817 1.00 74.11 H new ATOM 0 HB2 GLU A 23 14.559 4.505 2.236 1.00 22.04 H new ATOM 0 HB3 GLU A 23 14.755 5.267 3.802 1.00 22.04 H new ATOM 0 HG2 GLU A 23 13.189 3.623 4.807 1.00 42.14 H new ATOM 0 HG3 GLU A 23 12.970 2.866 3.242 1.00 42.14 H new ATOM 399 N LYS A 24 13.523 7.002 0.972 1.00 11.13 N ATOM 400 CA LYS A 24 13.873 8.255 0.282 1.00 14.14 C ATOM 401 C LYS A 24 12.693 9.241 0.290 1.00 43.54 C ATOM 402 O LYS A 24 12.865 10.435 0.539 1.00 15.24 O ATOM 403 CB LYS A 24 14.310 7.982 -1.171 1.00 51.32 C ATOM 404 CG LYS A 24 15.789 7.630 -1.337 1.00 42.13 C ATOM 405 CD LYS A 24 16.150 6.291 -0.702 1.00 51.25 C ATOM 406 CE LYS A 24 17.627 5.962 -0.891 1.00 43.33 C ATOM 407 NZ LYS A 24 17.972 4.609 -0.378 1.00 62.52 N ATOM 0 H LYS A 24 13.451 6.189 0.361 1.00 11.13 H new ATOM 0 HA LYS A 24 14.707 8.702 0.824 1.00 14.14 H new ATOM 0 HB2 LYS A 24 13.709 7.165 -1.570 1.00 51.32 H new ATOM 0 HB3 LYS A 24 14.090 8.863 -1.774 1.00 51.32 H new ATOM 0 HG2 LYS A 24 16.035 7.602 -2.399 1.00 42.13 H new ATOM 0 HG3 LYS A 24 16.398 8.416 -0.889 1.00 42.13 H new ATOM 0 HD2 LYS A 24 15.915 6.317 0.362 1.00 51.25 H new ATOM 0 HD3 LYS A 24 15.541 5.502 -1.143 1.00 51.25 H new ATOM 0 HE2 LYS A 24 17.878 6.022 -1.950 1.00 43.33 H new ATOM 0 HE3 LYS A 24 18.232 6.709 -0.377 1.00 43.33 H new ATOM 0 HZ1 LYS A 24 18.985 4.429 -0.528 1.00 62.52 H new ATOM 0 HZ2 LYS A 24 17.758 4.558 0.638 1.00 62.52 H new ATOM 0 HZ3 LYS A 24 17.415 3.893 -0.886 1.00 62.52 H new ATOM 421 N ALA A 25 11.496 8.729 0.015 1.00 21.23 N ATOM 422 CA ALA A 25 10.282 9.554 -0.013 1.00 25.35 C ATOM 423 C ALA A 25 9.732 9.827 1.400 1.00 50.31 C ATOM 424 O ALA A 25 8.866 10.684 1.579 1.00 32.02 O ATOM 425 CB ALA A 25 9.223 8.883 -0.883 1.00 65.22 C ATOM 0 H ALA A 25 11.336 7.743 -0.193 1.00 21.23 H new ATOM 0 HA ALA A 25 10.545 10.521 -0.442 1.00 25.35 H new ATOM 0 HB1 ALA A 25 8.324 9.499 -0.901 1.00 65.22 H new ATOM 0 HB2 ALA A 25 9.605 8.768 -1.898 1.00 65.22 H new ATOM 0 HB3 ALA A 25 8.983 7.902 -0.473 1.00 65.22 H new ATOM 431 N ASN A 26 10.245 9.093 2.395 1.00 75.33 N ATOM 432 CA ASN A 26 9.814 9.235 3.798 1.00 12.23 C ATOM 433 C ASN A 26 8.331 8.865 3.985 1.00 44.03 C ATOM 434 O ASN A 26 7.622 9.468 4.791 1.00 53.12 O ATOM 435 CB ASN A 26 10.084 10.659 4.305 1.00 63.05 C ATOM 436 CG ASN A 26 11.568 10.948 4.433 1.00 22.32 C ATOM 437 OD1 ASN A 26 12.168 10.724 5.479 1.00 31.21 O ATOM 438 ND2 ASN A 26 12.173 11.441 3.374 1.00 25.21 N ATOM 0 H ASN A 26 10.967 8.386 2.255 1.00 75.33 H new ATOM 0 HA ASN A 26 10.401 8.534 4.391 1.00 12.23 H new ATOM 0 HB2 ASN A 26 9.633 11.378 3.621 1.00 63.05 H new ATOM 0 HB3 ASN A 26 9.604 10.795 5.274 1.00 63.05 H new ATOM 0 HD21 ASN A 26 13.171 11.649 3.407 1.00 25.21 H new ATOM 0 HD22 ASN A 26 11.644 11.615 2.519 1.00 25.21 H new ATOM 445 N LEU A 27 7.884 7.841 3.261 1.00 44.14 N ATOM 446 CA LEU A 27 6.496 7.371 3.349 1.00 45.12 C ATOM 447 C LEU A 27 6.363 6.194 4.331 1.00 64.42 C ATOM 448 O LEU A 27 7.200 5.289 4.348 1.00 30.24 O ATOM 449 CB LEU A 27 5.991 6.945 1.961 1.00 4.41 C ATOM 450 CG LEU A 27 6.100 8.019 0.861 1.00 35.20 C ATOM 451 CD1 LEU A 27 5.530 7.508 -0.461 1.00 70.41 C ATOM 452 CD2 LEU A 27 5.403 9.312 1.287 1.00 73.04 C ATOM 0 H LEU A 27 8.462 7.317 2.604 1.00 44.14 H new ATOM 0 HA LEU A 27 5.889 8.197 3.720 1.00 45.12 H new ATOM 0 HB2 LEU A 27 6.551 6.065 1.643 1.00 4.41 H new ATOM 0 HB3 LEU A 27 4.947 6.644 2.049 1.00 4.41 H new ATOM 0 HG LEU A 27 7.157 8.238 0.712 1.00 35.20 H new ATOM 0 HD11 LEU A 27 5.619 8.285 -1.220 1.00 70.41 H new ATOM 0 HD12 LEU A 27 6.084 6.625 -0.779 1.00 70.41 H new ATOM 0 HD13 LEU A 27 4.480 7.249 -0.328 1.00 70.41 H new ATOM 0 HD21 LEU A 27 5.495 10.053 0.493 1.00 73.04 H new ATOM 0 HD22 LEU A 27 4.348 9.112 1.476 1.00 73.04 H new ATOM 0 HD23 LEU A 27 5.869 9.694 2.196 1.00 73.04 H new ATOM 464 N GLU A 28 5.312 6.216 5.152 1.00 13.41 N ATOM 465 CA GLU A 28 5.018 5.111 6.079 1.00 43.32 C ATOM 466 C GLU A 28 4.630 3.830 5.319 1.00 72.43 C ATOM 467 O GLU A 28 3.506 3.696 4.834 1.00 32.51 O ATOM 468 CB GLU A 28 3.882 5.504 7.039 1.00 1.20 C ATOM 469 CG GLU A 28 4.320 6.355 8.230 1.00 44.44 C ATOM 470 CD GLU A 28 5.024 5.542 9.311 1.00 4.50 C ATOM 471 OE1 GLU A 28 4.328 4.891 10.120 1.00 40.52 O ATOM 472 OE2 GLU A 28 6.273 5.557 9.366 1.00 51.04 O ATOM 0 H GLU A 28 4.646 6.987 5.197 1.00 13.41 H new ATOM 0 HA GLU A 28 5.924 4.912 6.651 1.00 43.32 H new ATOM 0 HB2 GLU A 28 3.123 6.050 6.479 1.00 1.20 H new ATOM 0 HB3 GLU A 28 3.410 4.596 7.413 1.00 1.20 H new ATOM 0 HG2 GLU A 28 4.988 7.143 7.882 1.00 44.44 H new ATOM 0 HG3 GLU A 28 3.447 6.845 8.661 1.00 44.44 H new ATOM 479 N LEU A 29 5.574 2.900 5.214 1.00 42.11 N ATOM 480 CA LEU A 29 5.345 1.634 4.509 1.00 13.42 C ATOM 481 C LEU A 29 4.971 0.513 5.495 1.00 0.43 C ATOM 482 O LEU A 29 5.750 0.159 6.382 1.00 15.02 O ATOM 483 CB LEU A 29 6.600 1.263 3.686 1.00 71.21 C ATOM 484 CG LEU A 29 6.492 0.003 2.791 1.00 32.31 C ATOM 485 CD1 LEU A 29 7.475 0.090 1.627 1.00 5.15 C ATOM 486 CD2 LEU A 29 6.746 -1.278 3.590 1.00 35.21 C ATOM 0 H LEU A 29 6.510 2.996 5.608 1.00 42.11 H new ATOM 0 HA LEU A 29 4.504 1.756 3.826 1.00 13.42 H new ATOM 0 HB2 LEU A 29 6.855 2.112 3.051 1.00 71.21 H new ATOM 0 HB3 LEU A 29 7.431 1.121 4.377 1.00 71.21 H new ATOM 0 HG LEU A 29 5.475 -0.036 2.402 1.00 32.31 H new ATOM 0 HD11 LEU A 29 7.386 -0.803 1.008 1.00 5.15 H new ATOM 0 HD12 LEU A 29 7.251 0.971 1.026 1.00 5.15 H new ATOM 0 HD13 LEU A 29 8.491 0.164 2.014 1.00 5.15 H new ATOM 0 HD21 LEU A 29 6.662 -2.141 2.930 1.00 35.21 H new ATOM 0 HD22 LEU A 29 7.747 -1.246 4.020 1.00 35.21 H new ATOM 0 HD23 LEU A 29 6.010 -1.360 4.390 1.00 35.21 H new ATOM 498 N ARG A 30 3.768 -0.033 5.337 1.00 61.31 N ATOM 499 CA ARG A 30 3.291 -1.142 6.170 1.00 20.02 C ATOM 500 C ARG A 30 3.219 -2.451 5.360 1.00 43.51 C ATOM 501 O ARG A 30 2.721 -2.466 4.231 1.00 21.35 O ATOM 502 CB ARG A 30 1.898 -0.819 6.736 1.00 33.11 C ATOM 503 CG ARG A 30 1.826 0.436 7.607 1.00 3.55 C ATOM 504 CD ARG A 30 2.677 0.315 8.869 1.00 32.45 C ATOM 505 NE ARG A 30 2.258 1.261 9.903 1.00 0.01 N ATOM 506 CZ ARG A 30 2.998 1.628 10.911 1.00 14.12 C ATOM 507 NH1 ARG A 30 4.242 1.271 10.988 1.00 54.03 N ATOM 508 NH2 ARG A 30 2.494 2.376 11.831 1.00 53.32 N ATOM 0 H ARG A 30 3.097 0.276 4.633 1.00 61.31 H new ATOM 0 HA ARG A 30 3.999 -1.274 6.989 1.00 20.02 H new ATOM 0 HB2 ARG A 30 1.203 -0.706 5.904 1.00 33.11 H new ATOM 0 HB3 ARG A 30 1.556 -1.671 7.324 1.00 33.11 H new ATOM 0 HG2 ARG A 30 2.159 1.297 7.028 1.00 3.55 H new ATOM 0 HG3 ARG A 30 0.789 0.622 7.887 1.00 3.55 H new ATOM 0 HD2 ARG A 30 2.608 -0.701 9.257 1.00 32.45 H new ATOM 0 HD3 ARG A 30 3.723 0.490 8.619 1.00 32.45 H new ATOM 0 HE ARG A 30 1.322 1.661 9.830 1.00 0.01 H new ATOM 0 HH11 ARG A 30 4.654 0.695 10.254 1.00 54.03 H new ATOM 0 HH12 ARG A 30 4.809 1.566 11.783 1.00 54.03 H new ATOM 0 HH21 ARG A 30 1.522 2.677 11.768 1.00 53.32 H new ATOM 0 HH22 ARG A 30 3.067 2.667 12.623 1.00 53.32 H new ATOM 522 N THR A 31 3.712 -3.546 5.937 1.00 72.53 N ATOM 523 CA THR A 31 3.650 -4.863 5.282 1.00 44.41 C ATOM 524 C THR A 31 2.328 -5.577 5.596 1.00 13.33 C ATOM 525 O THR A 31 1.880 -5.600 6.742 1.00 31.33 O ATOM 526 CB THR A 31 4.825 -5.778 5.713 1.00 32.31 C ATOM 527 OG1 THR A 31 4.790 -6.005 7.135 1.00 3.02 O ATOM 528 CG2 THR A 31 6.169 -5.165 5.325 1.00 24.33 C ATOM 0 H THR A 31 4.159 -3.553 6.854 1.00 72.53 H new ATOM 0 HA THR A 31 3.721 -4.677 4.210 1.00 44.41 H new ATOM 0 HB THR A 31 4.713 -6.730 5.194 1.00 32.31 H new ATOM 0 HG1 THR A 31 5.537 -6.586 7.392 1.00 3.02 H new ATOM 0 HG21 THR A 31 6.975 -5.828 5.639 1.00 24.33 H new ATOM 0 HG22 THR A 31 6.209 -5.031 4.244 1.00 24.33 H new ATOM 0 HG23 THR A 31 6.283 -4.198 5.815 1.00 24.33 H new ATOM 536 N VAL A 32 1.702 -6.153 4.571 1.00 60.24 N ATOM 537 CA VAL A 32 0.425 -6.861 4.736 1.00 2.11 C ATOM 538 C VAL A 32 0.522 -8.318 4.257 1.00 4.11 C ATOM 539 O VAL A 32 0.755 -8.581 3.076 1.00 53.35 O ATOM 540 CB VAL A 32 -0.716 -6.156 3.958 1.00 61.03 C ATOM 541 CG1 VAL A 32 -2.046 -6.884 4.163 1.00 45.00 C ATOM 542 CG2 VAL A 32 -0.834 -4.688 4.366 1.00 54.05 C ATOM 0 H VAL A 32 2.056 -6.145 3.614 1.00 60.24 H new ATOM 0 HA VAL A 32 0.199 -6.848 5.802 1.00 2.11 H new ATOM 0 HB VAL A 32 -0.468 -6.191 2.897 1.00 61.03 H new ATOM 0 HG11 VAL A 32 -2.831 -6.371 3.608 1.00 45.00 H new ATOM 0 HG12 VAL A 32 -1.959 -7.909 3.804 1.00 45.00 H new ATOM 0 HG13 VAL A 32 -2.297 -6.891 5.224 1.00 45.00 H new ATOM 0 HG21 VAL A 32 -1.642 -4.218 3.805 1.00 54.05 H new ATOM 0 HG22 VAL A 32 -1.048 -4.623 5.433 1.00 54.05 H new ATOM 0 HG23 VAL A 32 0.103 -4.174 4.152 1.00 54.05 H new ATOM 552 N LYS A 33 0.350 -9.262 5.180 1.00 21.04 N ATOM 553 CA LYS A 33 0.359 -10.690 4.837 1.00 52.30 C ATOM 554 C LYS A 33 -1.071 -11.197 4.603 1.00 11.32 C ATOM 555 O LYS A 33 -1.341 -11.932 3.653 1.00 65.12 O ATOM 556 CB LYS A 33 0.997 -11.514 5.967 1.00 72.10 C ATOM 557 CG LYS A 33 2.220 -10.864 6.605 1.00 0.51 C ATOM 558 CD LYS A 33 2.730 -11.670 7.798 1.00 31.25 C ATOM 559 CE LYS A 33 3.455 -10.786 8.802 1.00 21.03 C ATOM 560 NZ LYS A 33 2.523 -9.830 9.466 1.00 11.53 N ATOM 0 H LYS A 33 0.203 -9.068 6.171 1.00 21.04 H new ATOM 0 HA LYS A 33 0.943 -10.809 3.924 1.00 52.30 H new ATOM 0 HB2 LYS A 33 0.249 -11.689 6.740 1.00 72.10 H new ATOM 0 HB3 LYS A 33 1.283 -12.489 5.573 1.00 72.10 H new ATOM 0 HG2 LYS A 33 3.012 -10.772 5.862 1.00 0.51 H new ATOM 0 HG3 LYS A 33 1.968 -9.854 6.929 1.00 0.51 H new ATOM 0 HD2 LYS A 33 1.892 -12.166 8.288 1.00 31.25 H new ATOM 0 HD3 LYS A 33 3.403 -12.452 7.448 1.00 31.25 H new ATOM 0 HE2 LYS A 33 3.936 -11.409 9.556 1.00 21.03 H new ATOM 0 HE3 LYS A 33 4.245 -10.232 8.296 1.00 21.03 H new ATOM 0 HZ1 LYS A 33 2.901 -8.865 9.387 1.00 11.53 H new ATOM 0 HZ2 LYS A 33 1.592 -9.876 9.005 1.00 11.53 H new ATOM 0 HZ3 LYS A 33 2.425 -10.082 10.470 1.00 11.53 H new ATOM 574 N THR A 34 -1.984 -10.799 5.490 1.00 25.55 N ATOM 575 CA THR A 34 -3.372 -11.283 5.453 1.00 72.44 C ATOM 576 C THR A 34 -4.378 -10.159 5.177 1.00 32.51 C ATOM 577 O THR A 34 -4.100 -8.977 5.403 1.00 74.12 O ATOM 578 CB THR A 34 -3.770 -11.956 6.789 1.00 33.23 C ATOM 579 OG1 THR A 34 -3.880 -10.972 7.832 1.00 72.02 O ATOM 580 CG2 THR A 34 -2.743 -13.007 7.196 1.00 70.43 C ATOM 0 H THR A 34 -1.790 -10.142 6.246 1.00 25.55 H new ATOM 0 HA THR A 34 -3.407 -12.005 4.638 1.00 72.44 H new ATOM 0 HB THR A 34 -4.735 -12.441 6.643 1.00 33.23 H new ATOM 0 HG1 THR A 34 -4.134 -11.411 8.671 1.00 72.02 H new ATOM 0 HG21 THR A 34 -3.045 -13.465 8.138 1.00 70.43 H new ATOM 0 HG22 THR A 34 -2.680 -13.773 6.423 1.00 70.43 H new ATOM 0 HG23 THR A 34 -1.768 -12.535 7.319 1.00 70.43 H new ATOM 588 N GLU A 35 -5.558 -10.547 4.693 1.00 75.40 N ATOM 589 CA GLU A 35 -6.671 -9.614 4.482 1.00 1.53 C ATOM 590 C GLU A 35 -7.004 -8.848 5.771 1.00 62.22 C ATOM 591 O GLU A 35 -7.282 -7.646 5.749 1.00 25.42 O ATOM 592 CB GLU A 35 -7.910 -10.393 4.019 1.00 51.52 C ATOM 593 CG GLU A 35 -9.134 -9.524 3.744 1.00 71.13 C ATOM 594 CD GLU A 35 -10.418 -10.334 3.652 1.00 73.25 C ATOM 595 OE1 GLU A 35 -10.429 -11.369 2.950 1.00 54.23 O ATOM 596 OE2 GLU A 35 -11.418 -9.949 4.291 1.00 25.52 O ATOM 0 H GLU A 35 -5.771 -11.511 4.437 1.00 75.40 H new ATOM 0 HA GLU A 35 -6.374 -8.893 3.720 1.00 1.53 H new ATOM 0 HB2 GLU A 35 -7.660 -10.944 3.113 1.00 51.52 H new ATOM 0 HB3 GLU A 35 -8.166 -11.130 4.780 1.00 51.52 H new ATOM 0 HG2 GLU A 35 -9.233 -8.782 4.536 1.00 71.13 H new ATOM 0 HG3 GLU A 35 -8.986 -8.978 2.812 1.00 71.13 H new ATOM 603 N ASP A 36 -6.970 -9.557 6.899 1.00 13.31 N ATOM 604 CA ASP A 36 -7.269 -8.952 8.194 1.00 12.44 C ATOM 605 C ASP A 36 -6.266 -7.837 8.533 1.00 52.14 C ATOM 606 O ASP A 36 -6.650 -6.800 9.078 1.00 32.53 O ATOM 607 CB ASP A 36 -7.276 -10.014 9.298 1.00 42.35 C ATOM 608 CG ASP A 36 -7.861 -9.478 10.592 1.00 65.33 C ATOM 609 OD1 ASP A 36 -7.104 -8.927 11.414 1.00 61.33 O ATOM 610 OD2 ASP A 36 -9.090 -9.586 10.778 1.00 74.12 O ATOM 0 H ASP A 36 -6.739 -10.550 6.941 1.00 13.31 H new ATOM 0 HA ASP A 36 -8.262 -8.507 8.131 1.00 12.44 H new ATOM 0 HB2 ASP A 36 -7.854 -10.877 8.968 1.00 42.35 H new ATOM 0 HB3 ASP A 36 -6.258 -10.361 9.475 1.00 42.35 H new ATOM 615 N GLU A 37 -4.986 -8.044 8.204 1.00 32.33 N ATOM 616 CA GLU A 37 -3.963 -7.016 8.438 1.00 20.33 C ATOM 617 C GLU A 37 -4.244 -5.755 7.616 1.00 41.42 C ATOM 618 O GLU A 37 -4.051 -4.639 8.098 1.00 4.33 O ATOM 619 CB GLU A 37 -2.555 -7.532 8.128 1.00 61.25 C ATOM 620 CG GLU A 37 -2.051 -8.586 9.107 1.00 43.21 C ATOM 621 CD GLU A 37 -0.540 -8.741 9.065 1.00 71.03 C ATOM 622 OE1 GLU A 37 -0.022 -9.278 8.070 1.00 34.54 O ATOM 623 OE2 GLU A 37 0.134 -8.319 10.030 1.00 2.35 O ATOM 0 H GLU A 37 -4.636 -8.903 7.780 1.00 32.33 H new ATOM 0 HA GLU A 37 -4.010 -6.765 9.498 1.00 20.33 H new ATOM 0 HB2 GLU A 37 -2.546 -7.952 7.122 1.00 61.25 H new ATOM 0 HB3 GLU A 37 -1.863 -6.690 8.128 1.00 61.25 H new ATOM 0 HG2 GLU A 37 -2.358 -8.316 10.117 1.00 43.21 H new ATOM 0 HG3 GLU A 37 -2.518 -9.544 8.878 1.00 43.21 H new ATOM 630 N LEU A 38 -4.693 -5.935 6.376 1.00 52.30 N ATOM 631 CA LEU A 38 -5.130 -4.808 5.543 1.00 54.24 C ATOM 632 C LEU A 38 -6.149 -3.956 6.329 1.00 24.30 C ATOM 633 O LEU A 38 -5.977 -2.748 6.498 1.00 24.40 O ATOM 634 CB LEU A 38 -5.748 -5.346 4.232 1.00 43.24 C ATOM 635 CG LEU A 38 -5.737 -4.398 3.014 1.00 14.52 C ATOM 636 CD1 LEU A 38 -6.609 -3.170 3.240 1.00 70.21 C ATOM 637 CD2 LEU A 38 -4.309 -3.990 2.668 1.00 34.21 C ATOM 0 H LEU A 38 -4.765 -6.846 5.923 1.00 52.30 H new ATOM 0 HA LEU A 38 -4.278 -4.178 5.287 1.00 54.24 H new ATOM 0 HB2 LEU A 38 -5.218 -6.258 3.957 1.00 43.24 H new ATOM 0 HB3 LEU A 38 -6.782 -5.626 4.434 1.00 43.24 H new ATOM 0 HG LEU A 38 -6.160 -4.944 2.171 1.00 14.52 H new ATOM 0 HD11 LEU A 38 -6.572 -2.530 2.358 1.00 70.21 H new ATOM 0 HD12 LEU A 38 -7.638 -3.482 3.419 1.00 70.21 H new ATOM 0 HD13 LEU A 38 -6.242 -2.617 4.105 1.00 70.21 H new ATOM 0 HD21 LEU A 38 -4.320 -3.322 1.807 1.00 34.21 H new ATOM 0 HD22 LEU A 38 -3.861 -3.478 3.519 1.00 34.21 H new ATOM 0 HD23 LEU A 38 -3.724 -4.879 2.430 1.00 34.21 H new ATOM 649 N LYS A 39 -7.187 -4.619 6.835 1.00 51.10 N ATOM 650 CA LYS A 39 -8.192 -3.992 7.703 1.00 61.24 C ATOM 651 C LYS A 39 -7.555 -3.378 8.971 1.00 25.42 C ATOM 652 O LYS A 39 -7.941 -2.291 9.409 1.00 1.01 O ATOM 653 CB LYS A 39 -9.247 -5.046 8.078 1.00 61.41 C ATOM 654 CG LYS A 39 -10.261 -4.594 9.127 1.00 5.31 C ATOM 655 CD LYS A 39 -11.387 -5.615 9.304 1.00 50.34 C ATOM 656 CE LYS A 39 -10.865 -7.005 9.673 1.00 33.11 C ATOM 657 NZ LYS A 39 -10.182 -7.027 10.995 1.00 62.12 N ATOM 0 H LYS A 39 -7.359 -5.608 6.657 1.00 51.10 H new ATOM 0 HA LYS A 39 -8.662 -3.172 7.161 1.00 61.24 H new ATOM 0 HB2 LYS A 39 -9.785 -5.338 7.176 1.00 61.41 H new ATOM 0 HB3 LYS A 39 -8.736 -5.935 8.447 1.00 61.41 H new ATOM 0 HG2 LYS A 39 -9.755 -4.442 10.080 1.00 5.31 H new ATOM 0 HG3 LYS A 39 -10.684 -3.633 8.834 1.00 5.31 H new ATOM 0 HD2 LYS A 39 -12.069 -5.268 10.081 1.00 50.34 H new ATOM 0 HD3 LYS A 39 -11.963 -5.680 8.381 1.00 50.34 H new ATOM 0 HE2 LYS A 39 -11.696 -7.710 9.686 1.00 33.11 H new ATOM 0 HE3 LYS A 39 -10.171 -7.345 8.904 1.00 33.11 H new ATOM 0 HZ1 LYS A 39 -9.788 -7.974 11.167 1.00 62.12 H new ATOM 0 HZ2 LYS A 39 -9.413 -6.327 11.000 1.00 62.12 H new ATOM 0 HZ3 LYS A 39 -10.866 -6.796 11.743 1.00 62.12 H new ATOM 671 N LYS A 40 -6.572 -4.078 9.545 1.00 64.12 N ATOM 672 CA LYS A 40 -5.846 -3.592 10.731 1.00 14.33 C ATOM 673 C LYS A 40 -5.214 -2.211 10.479 1.00 41.50 C ATOM 674 O LYS A 40 -5.331 -1.299 11.300 1.00 2.54 O ATOM 675 CB LYS A 40 -4.751 -4.600 11.131 1.00 55.22 C ATOM 676 CG LYS A 40 -3.857 -4.128 12.280 1.00 33.00 C ATOM 677 CD LYS A 40 -2.699 -5.094 12.552 1.00 24.42 C ATOM 678 CE LYS A 40 -1.812 -5.292 11.322 1.00 14.51 C ATOM 679 NZ LYS A 40 -0.568 -6.047 11.641 1.00 32.33 N ATOM 0 H LYS A 40 -6.257 -4.988 9.208 1.00 64.12 H new ATOM 0 HA LYS A 40 -6.566 -3.492 11.544 1.00 14.33 H new ATOM 0 HB2 LYS A 40 -5.224 -5.540 11.415 1.00 55.22 H new ATOM 0 HB3 LYS A 40 -4.128 -4.807 10.261 1.00 55.22 H new ATOM 0 HG2 LYS A 40 -3.457 -3.142 12.044 1.00 33.00 H new ATOM 0 HG3 LYS A 40 -4.457 -4.021 13.184 1.00 33.00 H new ATOM 0 HD2 LYS A 40 -2.095 -4.713 13.376 1.00 24.42 H new ATOM 0 HD3 LYS A 40 -3.098 -6.057 12.869 1.00 24.42 H new ATOM 0 HE2 LYS A 40 -2.372 -5.826 10.554 1.00 14.51 H new ATOM 0 HE3 LYS A 40 -1.548 -4.320 10.906 1.00 14.51 H new ATOM 0 HZ1 LYS A 40 0.253 -5.413 11.563 1.00 32.33 H new ATOM 0 HZ2 LYS A 40 -0.627 -6.420 12.610 1.00 32.33 H new ATOM 0 HZ3 LYS A 40 -0.460 -6.836 10.973 1.00 32.33 H new ATOM 693 N TYR A 41 -4.544 -2.063 9.336 1.00 2.35 N ATOM 694 CA TYR A 41 -3.890 -0.796 8.987 1.00 40.23 C ATOM 695 C TYR A 41 -4.912 0.279 8.596 1.00 51.22 C ATOM 696 O TYR A 41 -4.699 1.462 8.848 1.00 73.53 O ATOM 697 CB TYR A 41 -2.869 -1.003 7.862 1.00 23.54 C ATOM 698 CG TYR A 41 -1.755 -1.957 8.242 1.00 52.34 C ATOM 699 CD1 TYR A 41 -0.871 -1.649 9.271 1.00 22.51 C ATOM 700 CD2 TYR A 41 -1.589 -3.168 7.580 1.00 20.12 C ATOM 701 CE1 TYR A 41 0.139 -2.521 9.630 1.00 35.31 C ATOM 702 CE2 TYR A 41 -0.582 -4.043 7.933 1.00 21.54 C ATOM 703 CZ TYR A 41 0.278 -3.715 8.957 1.00 75.20 C ATOM 704 OH TYR A 41 1.276 -4.590 9.317 1.00 54.42 O ATOM 0 H TYR A 41 -4.439 -2.799 8.638 1.00 2.35 H new ATOM 0 HA TYR A 41 -3.363 -0.445 9.874 1.00 40.23 H new ATOM 0 HB2 TYR A 41 -3.382 -1.385 6.979 1.00 23.54 H new ATOM 0 HB3 TYR A 41 -2.438 -0.040 7.588 1.00 23.54 H new ATOM 0 HD1 TYR A 41 -0.976 -0.712 9.798 1.00 22.51 H new ATOM 0 HD2 TYR A 41 -2.260 -3.429 6.775 1.00 20.12 H new ATOM 0 HE1 TYR A 41 0.815 -2.268 10.433 1.00 35.31 H new ATOM 0 HE2 TYR A 41 -0.469 -4.980 7.409 1.00 21.54 H new ATOM 0 HH TYR A 41 1.615 -5.047 8.519 1.00 54.42 H new ATOM 714 N LEU A 42 -6.026 -0.135 7.988 1.00 11.12 N ATOM 715 CA LEU A 42 -7.118 0.798 7.673 1.00 33.43 C ATOM 716 C LEU A 42 -7.622 1.503 8.946 1.00 51.53 C ATOM 717 O LEU A 42 -7.996 2.677 8.913 1.00 44.25 O ATOM 718 CB LEU A 42 -8.273 0.065 6.974 1.00 31.03 C ATOM 719 CG LEU A 42 -7.937 -0.526 5.592 1.00 5.21 C ATOM 720 CD1 LEU A 42 -9.148 -1.236 5.000 1.00 34.03 C ATOM 721 CD2 LEU A 42 -7.431 0.558 4.643 1.00 3.22 C ATOM 0 H LEU A 42 -6.198 -1.100 7.705 1.00 11.12 H new ATOM 0 HA LEU A 42 -6.728 1.556 6.994 1.00 33.43 H new ATOM 0 HB2 LEU A 42 -8.615 -0.742 7.622 1.00 31.03 H new ATOM 0 HB3 LEU A 42 -9.106 0.758 6.861 1.00 31.03 H new ATOM 0 HG LEU A 42 -7.141 -1.259 5.724 1.00 5.21 H new ATOM 0 HD11 LEU A 42 -8.888 -1.646 4.024 1.00 34.03 H new ATOM 0 HD12 LEU A 42 -9.456 -2.045 5.663 1.00 34.03 H new ATOM 0 HD13 LEU A 42 -9.968 -0.526 4.889 1.00 34.03 H new ATOM 0 HD21 LEU A 42 -7.201 0.115 3.674 1.00 3.22 H new ATOM 0 HD22 LEU A 42 -8.199 1.321 4.520 1.00 3.22 H new ATOM 0 HD23 LEU A 42 -6.531 1.013 5.057 1.00 3.22 H new ATOM 733 N GLU A 43 -7.622 0.778 10.067 1.00 22.51 N ATOM 734 CA GLU A 43 -7.948 1.364 11.376 1.00 71.20 C ATOM 735 C GLU A 43 -6.933 2.446 11.770 1.00 63.43 C ATOM 736 O GLU A 43 -7.299 3.489 12.318 1.00 3.22 O ATOM 737 CB GLU A 43 -7.998 0.266 12.451 1.00 55.24 C ATOM 738 CG GLU A 43 -9.224 -0.636 12.354 1.00 10.33 C ATOM 739 CD GLU A 43 -10.514 0.093 12.709 1.00 32.20 C ATOM 740 OE1 GLU A 43 -11.065 0.801 11.843 1.00 21.22 O ATOM 741 OE2 GLU A 43 -10.972 -0.031 13.868 1.00 34.45 O ATOM 0 H GLU A 43 -7.400 -0.217 10.098 1.00 22.51 H new ATOM 0 HA GLU A 43 -8.928 1.834 11.300 1.00 71.20 H new ATOM 0 HB2 GLU A 43 -7.100 -0.347 12.372 1.00 55.24 H new ATOM 0 HB3 GLU A 43 -7.980 0.733 13.435 1.00 55.24 H new ATOM 0 HG2 GLU A 43 -9.301 -1.032 11.341 1.00 10.33 H new ATOM 0 HG3 GLU A 43 -9.097 -1.489 13.021 1.00 10.33 H new ATOM 748 N GLU A 44 -5.654 2.190 11.485 1.00 4.14 N ATOM 749 CA GLU A 44 -4.592 3.176 11.725 1.00 24.44 C ATOM 750 C GLU A 44 -4.774 4.400 10.808 1.00 33.01 C ATOM 751 O GLU A 44 -4.534 5.538 11.208 1.00 21.23 O ATOM 752 CB GLU A 44 -3.208 2.536 11.493 1.00 0.00 C ATOM 753 CG GLU A 44 -2.027 3.467 11.781 1.00 15.31 C ATOM 754 CD GLU A 44 -0.673 2.794 11.571 1.00 33.41 C ATOM 755 OE1 GLU A 44 -0.326 1.880 12.353 1.00 51.42 O ATOM 756 OE2 GLU A 44 0.059 3.175 10.630 1.00 35.40 O ATOM 0 H GLU A 44 -5.327 1.309 11.088 1.00 4.14 H new ATOM 0 HA GLU A 44 -4.656 3.508 12.761 1.00 24.44 H new ATOM 0 HB2 GLU A 44 -3.120 1.651 12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.146 2.198 10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.096 4.342 11.135 1.00 15.31 H new ATOM 0 HG3 GLU A 44 -2.094 3.823 12.809 1.00 15.31 H new ATOM 763 N PHE A 45 -5.222 4.146 9.578 1.00 65.40 N ATOM 764 CA PHE A 45 -5.433 5.208 8.586 1.00 1.00 C ATOM 765 C PHE A 45 -6.625 6.107 8.941 1.00 2.50 C ATOM 766 O PHE A 45 -6.548 7.326 8.800 1.00 12.22 O ATOM 767 CB PHE A 45 -5.644 4.601 7.191 1.00 32.13 C ATOM 768 CG PHE A 45 -4.482 3.779 6.693 1.00 51.23 C ATOM 769 CD1 PHE A 45 -3.225 3.885 7.277 1.00 15.12 C ATOM 770 CD2 PHE A 45 -4.651 2.898 5.640 1.00 10.02 C ATOM 771 CE1 PHE A 45 -2.169 3.126 6.819 1.00 62.01 C ATOM 772 CE2 PHE A 45 -3.597 2.140 5.180 1.00 2.13 C ATOM 773 CZ PHE A 45 -2.354 2.254 5.769 1.00 33.32 C ATOM 0 H PHE A 45 -5.448 3.210 9.241 1.00 65.40 H new ATOM 0 HA PHE A 45 -4.536 5.828 8.588 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -6.536 3.975 7.211 1.00 32.13 H new ATOM 0 HB3 PHE A 45 -5.836 5.406 6.482 1.00 32.13 H new ATOM 0 HD1 PHE A 45 -3.074 4.569 8.099 1.00 15.12 H new ATOM 0 HD2 PHE A 45 -5.620 2.803 5.173 1.00 10.02 H new ATOM 0 HE1 PHE A 45 -1.198 3.215 7.283 1.00 62.01 H new ATOM 0 HE2 PHE A 45 -3.743 1.456 4.357 1.00 2.13 H new ATOM 0 HZ PHE A 45 -1.528 1.660 5.407 1.00 33.32 H new ATOM 783 N ARG A 46 -7.726 5.506 9.402 1.00 34.52 N ATOM 784 CA ARG A 46 -8.927 6.283 9.747 1.00 41.34 C ATOM 785 C ARG A 46 -8.638 7.333 10.830 1.00 51.12 C ATOM 786 O ARG A 46 -9.279 8.383 10.867 1.00 50.12 O ATOM 787 CB ARG A 46 -10.094 5.374 10.172 1.00 61.10 C ATOM 788 CG ARG A 46 -10.707 4.595 9.009 1.00 44.24 C ATOM 789 CD ARG A 46 -12.151 4.186 9.284 1.00 13.45 C ATOM 790 NE ARG A 46 -12.273 3.224 10.376 1.00 65.15 N ATOM 791 CZ ARG A 46 -13.352 3.073 11.102 1.00 71.22 C ATOM 792 NH1 ARG A 46 -14.374 3.855 10.949 1.00 43.12 N ATOM 793 NH2 ARG A 46 -13.398 2.150 12.000 1.00 33.52 N ATOM 0 H ARG A 46 -7.814 4.500 9.544 1.00 34.52 H new ATOM 0 HA ARG A 46 -9.226 6.811 8.841 1.00 41.34 H new ATOM 0 HB2 ARG A 46 -9.741 4.670 10.926 1.00 61.10 H new ATOM 0 HB3 ARG A 46 -10.867 5.982 10.641 1.00 61.10 H new ATOM 0 HG2 ARG A 46 -10.670 5.205 8.106 1.00 44.24 H new ATOM 0 HG3 ARG A 46 -10.110 3.704 8.816 1.00 44.24 H new ATOM 0 HD2 ARG A 46 -12.735 5.075 9.523 1.00 13.45 H new ATOM 0 HD3 ARG A 46 -12.580 3.756 8.379 1.00 13.45 H new ATOM 0 HE ARG A 46 -11.468 2.634 10.586 1.00 65.15 H new ATOM 0 HH11 ARG A 46 -14.345 4.602 10.255 1.00 43.12 H new ATOM 0 HH12 ARG A 46 -15.207 3.724 11.523 1.00 43.12 H new ATOM 0 HH21 ARG A 46 -12.595 1.538 12.144 1.00 33.52 H new ATOM 0 HH22 ARG A 46 -14.238 2.031 12.566 1.00 33.52 H new ATOM 807 N LYS A 47 -7.654 7.057 11.687 1.00 12.43 N ATOM 808 CA LYS A 47 -7.200 8.036 12.684 1.00 21.24 C ATOM 809 C LYS A 47 -6.791 9.351 12.000 1.00 53.33 C ATOM 810 O LYS A 47 -7.068 10.444 12.498 1.00 5.21 O ATOM 811 CB LYS A 47 -6.005 7.477 13.469 1.00 75.51 C ATOM 812 CG LYS A 47 -6.269 6.125 14.130 1.00 2.33 C ATOM 813 CD LYS A 47 -5.026 5.583 14.831 1.00 64.15 C ATOM 814 CE LYS A 47 -4.586 6.480 15.980 1.00 3.43 C ATOM 815 NZ LYS A 47 -5.594 6.529 17.073 1.00 54.41 N ATOM 0 H LYS A 47 -7.156 6.167 11.713 1.00 12.43 H new ATOM 0 HA LYS A 47 -8.024 8.232 13.370 1.00 21.24 H new ATOM 0 HB2 LYS A 47 -5.155 7.379 12.794 1.00 75.51 H new ATOM 0 HB3 LYS A 47 -5.721 8.196 14.238 1.00 75.51 H new ATOM 0 HG2 LYS A 47 -7.079 6.226 14.853 1.00 2.33 H new ATOM 0 HG3 LYS A 47 -6.602 5.411 13.377 1.00 2.33 H new ATOM 0 HD2 LYS A 47 -5.230 4.582 15.210 1.00 64.15 H new ATOM 0 HD3 LYS A 47 -4.214 5.491 14.110 1.00 64.15 H new ATOM 0 HE2 LYS A 47 -3.638 6.118 16.378 1.00 3.43 H new ATOM 0 HE3 LYS A 47 -4.410 7.488 15.605 1.00 3.43 H new ATOM 0 HZ1 LYS A 47 -5.180 6.994 17.906 1.00 54.41 H new ATOM 0 HZ2 LYS A 47 -6.426 7.066 16.754 1.00 54.41 H new ATOM 0 HZ3 LYS A 47 -5.882 5.562 17.323 1.00 54.41 H new ATOM 829 N GLU A 48 -6.139 9.227 10.844 1.00 25.23 N ATOM 830 CA GLU A 48 -5.670 10.384 10.075 1.00 72.30 C ATOM 831 C GLU A 48 -6.467 10.560 8.773 1.00 24.53 C ATOM 832 O GLU A 48 -6.036 11.289 7.877 1.00 24.33 O ATOM 833 CB GLU A 48 -4.180 10.220 9.743 1.00 43.13 C ATOM 834 CG GLU A 48 -3.282 10.056 10.967 1.00 71.21 C ATOM 835 CD GLU A 48 -3.260 11.278 11.877 1.00 41.44 C ATOM 836 OE1 GLU A 48 -3.341 12.419 11.367 1.00 22.13 O ATOM 837 OE2 GLU A 48 -3.130 11.101 13.109 1.00 41.42 O ATOM 0 H GLU A 48 -5.921 8.328 10.415 1.00 25.23 H new ATOM 0 HA GLU A 48 -5.820 11.273 10.688 1.00 72.30 H new ATOM 0 HB2 GLU A 48 -4.057 9.351 9.096 1.00 43.13 H new ATOM 0 HB3 GLU A 48 -3.847 11.089 9.176 1.00 43.13 H new ATOM 0 HG2 GLU A 48 -3.618 9.192 11.541 1.00 71.21 H new ATOM 0 HG3 GLU A 48 -2.266 9.842 10.635 1.00 71.21 H new ATOM 844 N SER A 49 -7.639 9.913 8.680 1.00 71.31 N ATOM 845 CA SER A 49 -8.496 9.989 7.472 1.00 21.23 C ATOM 846 C SER A 49 -8.689 11.441 7.014 1.00 3.32 C ATOM 847 O SER A 49 -8.877 11.719 5.830 1.00 22.22 O ATOM 848 CB SER A 49 -9.864 9.341 7.729 1.00 35.34 C ATOM 849 OG SER A 49 -10.654 9.318 6.551 1.00 30.01 O ATOM 0 H SER A 49 -8.021 9.329 9.424 1.00 71.31 H new ATOM 0 HA SER A 49 -7.987 9.441 6.679 1.00 21.23 H new ATOM 0 HB2 SER A 49 -9.724 8.324 8.095 1.00 35.34 H new ATOM 0 HB3 SER A 49 -10.388 9.891 8.510 1.00 35.34 H new ATOM 0 HG SER A 49 -11.518 8.899 6.745 1.00 30.01 H new ATOM 855 N GLN A 50 -8.611 12.353 7.978 1.00 14.03 N ATOM 856 CA GLN A 50 -8.689 13.796 7.733 1.00 41.42 C ATOM 857 C GLN A 50 -7.730 14.257 6.614 1.00 15.53 C ATOM 858 O GLN A 50 -8.110 15.045 5.746 1.00 30.41 O ATOM 859 CB GLN A 50 -8.338 14.542 9.029 1.00 53.14 C ATOM 860 CG GLN A 50 -9.204 14.164 10.228 1.00 33.12 C ATOM 861 CD GLN A 50 -10.584 14.798 10.185 1.00 71.41 C ATOM 862 OE1 GLN A 50 -10.794 15.884 10.717 1.00 54.22 O ATOM 863 NE2 GLN A 50 -11.531 14.131 9.556 1.00 60.12 N ATOM 0 H GLN A 50 -8.491 12.113 8.962 1.00 14.03 H new ATOM 0 HA GLN A 50 -9.706 14.022 7.411 1.00 41.42 H new ATOM 0 HB2 GLN A 50 -7.294 14.348 9.275 1.00 53.14 H new ATOM 0 HB3 GLN A 50 -8.430 15.614 8.853 1.00 53.14 H new ATOM 0 HG2 GLN A 50 -9.309 13.080 10.266 1.00 33.12 H new ATOM 0 HG3 GLN A 50 -8.699 14.468 11.145 1.00 33.12 H new ATOM 0 HE21 GLN A 50 -11.321 13.231 9.125 1.00 60.12 H new ATOM 0 HE22 GLN A 50 -12.474 14.515 9.500 1.00 60.12 H new ATOM 872 N ASN A 51 -6.485 13.767 6.646 1.00 4.44 N ATOM 873 CA ASN A 51 -5.436 14.258 5.732 1.00 21.21 C ATOM 874 C ASN A 51 -4.565 13.123 5.153 1.00 24.10 C ATOM 875 O ASN A 51 -3.459 13.379 4.677 1.00 51.14 O ATOM 876 CB ASN A 51 -4.511 15.242 6.471 1.00 55.31 C ATOM 877 CG ASN A 51 -5.260 16.234 7.340 1.00 33.31 C ATOM 878 OD1 ASN A 51 -5.664 17.297 6.892 1.00 42.40 O ATOM 879 ND2 ASN A 51 -5.434 15.900 8.601 1.00 34.44 N ATOM 0 H ASN A 51 -6.177 13.037 7.288 1.00 4.44 H new ATOM 0 HA ASN A 51 -5.954 14.747 4.907 1.00 21.21 H new ATOM 0 HB2 ASN A 51 -3.815 14.678 7.093 1.00 55.31 H new ATOM 0 HB3 ASN A 51 -3.915 15.788 5.740 1.00 55.31 H new ATOM 0 HD21 ASN A 51 -5.918 16.536 9.235 1.00 34.44 H new ATOM 0 HD22 ASN A 51 -5.085 15.005 8.944 1.00 34.44 H new ATOM 886 N ILE A 52 -5.038 11.881 5.181 1.00 43.44 N ATOM 887 CA ILE A 52 -4.206 10.751 4.735 1.00 61.30 C ATOM 888 C ILE A 52 -4.566 10.265 3.319 1.00 63.55 C ATOM 889 O ILE A 52 -5.737 10.230 2.934 1.00 71.34 O ATOM 890 CB ILE A 52 -4.299 9.554 5.718 1.00 71.24 C ATOM 891 CG1 ILE A 52 -3.208 8.513 5.415 1.00 1.11 C ATOM 892 CG2 ILE A 52 -5.683 8.906 5.652 1.00 33.51 C ATOM 893 CD1 ILE A 52 -3.219 7.332 6.362 1.00 13.42 C ATOM 0 H ILE A 52 -5.973 11.626 5.500 1.00 43.44 H new ATOM 0 HA ILE A 52 -3.185 11.131 4.715 1.00 61.30 H new ATOM 0 HB ILE A 52 -4.142 9.934 6.727 1.00 71.24 H new ATOM 0 HG12 ILE A 52 -3.336 8.151 4.395 1.00 1.11 H new ATOM 0 HG13 ILE A 52 -2.232 8.997 5.462 1.00 1.11 H new ATOM 0 HG21 ILE A 52 -5.726 8.069 6.349 1.00 33.51 H new ATOM 0 HG22 ILE A 52 -6.442 9.641 5.920 1.00 33.51 H new ATOM 0 HG23 ILE A 52 -5.868 8.546 4.640 1.00 33.51 H new ATOM 0 HD11 ILE A 52 -2.423 6.639 6.089 1.00 13.42 H new ATOM 0 HD12 ILE A 52 -3.061 7.682 7.382 1.00 13.42 H new ATOM 0 HD13 ILE A 52 -4.181 6.823 6.298 1.00 13.42 H new ATOM 905 N LYS A 53 -3.541 9.913 2.544 1.00 42.14 N ATOM 906 CA LYS A 53 -3.715 9.222 1.262 1.00 13.22 C ATOM 907 C LYS A 53 -2.968 7.882 1.307 1.00 30.24 C ATOM 908 O LYS A 53 -1.908 7.786 1.925 1.00 41.14 O ATOM 909 CB LYS A 53 -3.181 10.070 0.097 1.00 24.13 C ATOM 910 CG LYS A 53 -3.716 11.500 0.066 1.00 34.21 C ATOM 911 CD LYS A 53 -3.322 12.243 -1.216 1.00 14.33 C ATOM 912 CE LYS A 53 -4.160 11.822 -2.423 1.00 23.24 C ATOM 913 NZ LYS A 53 -3.889 10.424 -2.865 1.00 43.40 N ATOM 0 H LYS A 53 -2.567 10.097 2.784 1.00 42.14 H new ATOM 0 HA LYS A 53 -4.780 9.055 1.100 1.00 13.22 H new ATOM 0 HB2 LYS A 53 -2.093 10.102 0.155 1.00 24.13 H new ATOM 0 HB3 LYS A 53 -3.436 9.578 -0.842 1.00 24.13 H new ATOM 0 HG2 LYS A 53 -4.802 11.481 0.152 1.00 34.21 H new ATOM 0 HG3 LYS A 53 -3.337 12.046 0.930 1.00 34.21 H new ATOM 0 HD2 LYS A 53 -3.433 13.316 -1.058 1.00 14.33 H new ATOM 0 HD3 LYS A 53 -2.269 12.060 -1.428 1.00 14.33 H new ATOM 0 HE2 LYS A 53 -5.217 11.920 -2.176 1.00 23.24 H new ATOM 0 HE3 LYS A 53 -3.962 12.503 -3.251 1.00 23.24 H new ATOM 0 HZ1 LYS A 53 -4.047 10.347 -3.890 1.00 43.40 H new ATOM 0 HZ2 LYS A 53 -2.903 10.176 -2.647 1.00 43.40 H new ATOM 0 HZ3 LYS A 53 -4.528 9.772 -2.367 1.00 43.40 H new ATOM 927 N VAL A 54 -3.505 6.851 0.659 1.00 52.03 N ATOM 928 CA VAL A 54 -2.920 5.506 0.756 1.00 52.24 C ATOM 929 C VAL A 54 -2.642 4.872 -0.620 1.00 45.40 C ATOM 930 O VAL A 54 -3.497 4.869 -1.506 1.00 52.34 O ATOM 931 CB VAL A 54 -3.845 4.562 1.565 1.00 45.05 C ATOM 932 CG1 VAL A 54 -3.215 3.176 1.717 1.00 3.02 C ATOM 933 CG2 VAL A 54 -4.179 5.162 2.932 1.00 3.24 C ATOM 0 H VAL A 54 -4.333 6.914 0.067 1.00 52.03 H new ATOM 0 HA VAL A 54 -1.966 5.630 1.268 1.00 52.24 H new ATOM 0 HB VAL A 54 -4.776 4.449 1.010 1.00 45.05 H new ATOM 0 HG11 VAL A 54 -3.884 2.533 2.289 1.00 3.02 H new ATOM 0 HG12 VAL A 54 -3.049 2.742 0.731 1.00 3.02 H new ATOM 0 HG13 VAL A 54 -2.263 3.265 2.240 1.00 3.02 H new ATOM 0 HG21 VAL A 54 -4.829 4.480 3.480 1.00 3.24 H new ATOM 0 HG22 VAL A 54 -3.259 5.317 3.496 1.00 3.24 H new ATOM 0 HG23 VAL A 54 -4.687 6.117 2.796 1.00 3.24 H new ATOM 943 N LEU A 55 -1.432 4.341 -0.783 1.00 41.34 N ATOM 944 CA LEU A 55 -1.057 3.556 -1.965 1.00 51.41 C ATOM 945 C LEU A 55 -1.005 2.066 -1.603 1.00 11.44 C ATOM 946 O LEU A 55 -0.504 1.710 -0.545 1.00 23.42 O ATOM 947 CB LEU A 55 0.315 4.007 -2.483 1.00 73.04 C ATOM 948 CG LEU A 55 0.848 3.243 -3.708 1.00 43.24 C ATOM 949 CD1 LEU A 55 -0.012 3.521 -4.937 1.00 41.00 C ATOM 950 CD2 LEU A 55 2.312 3.594 -3.969 1.00 13.54 C ATOM 0 H LEU A 55 -0.681 4.441 -0.100 1.00 41.34 H new ATOM 0 HA LEU A 55 -1.802 3.714 -2.745 1.00 51.41 H new ATOM 0 HB2 LEU A 55 0.258 5.066 -2.734 1.00 73.04 H new ATOM 0 HB3 LEU A 55 1.039 3.910 -1.674 1.00 73.04 H new ATOM 0 HG LEU A 55 0.791 2.175 -3.496 1.00 43.24 H new ATOM 0 HD11 LEU A 55 0.384 2.970 -5.790 1.00 41.00 H new ATOM 0 HD12 LEU A 55 -1.036 3.203 -4.744 1.00 41.00 H new ATOM 0 HD13 LEU A 55 0.001 4.589 -5.156 1.00 41.00 H new ATOM 0 HD21 LEU A 55 2.669 3.043 -4.839 1.00 13.54 H new ATOM 0 HD22 LEU A 55 2.402 4.664 -4.155 1.00 13.54 H new ATOM 0 HD23 LEU A 55 2.911 3.326 -3.099 1.00 13.54 H new ATOM 962 N ILE A 56 -1.525 1.200 -2.468 1.00 13.21 N ATOM 963 CA ILE A 56 -1.533 -0.247 -2.201 1.00 41.51 C ATOM 964 C ILE A 56 -0.963 -1.047 -3.381 1.00 40.33 C ATOM 965 O ILE A 56 -1.431 -0.927 -4.511 1.00 43.23 O ATOM 966 CB ILE A 56 -2.964 -0.761 -1.883 1.00 10.23 C ATOM 967 CG1 ILE A 56 -3.541 -0.030 -0.656 1.00 31.54 C ATOM 968 CG2 ILE A 56 -2.958 -2.276 -1.655 1.00 1.02 C ATOM 969 CD1 ILE A 56 -4.920 -0.508 -0.246 1.00 73.35 C ATOM 0 H ILE A 56 -1.946 1.467 -3.358 1.00 13.21 H new ATOM 0 HA ILE A 56 -0.896 -0.401 -1.330 1.00 41.51 H new ATOM 0 HB ILE A 56 -3.602 -0.549 -2.741 1.00 10.23 H new ATOM 0 HG12 ILE A 56 -2.859 -0.158 0.184 1.00 31.54 H new ATOM 0 HG13 ILE A 56 -3.587 1.038 -0.870 1.00 31.54 H new ATOM 0 HG21 ILE A 56 -3.970 -2.615 -1.434 1.00 1.02 H new ATOM 0 HG22 ILE A 56 -2.595 -2.778 -2.552 1.00 1.02 H new ATOM 0 HG23 ILE A 56 -2.304 -2.515 -0.816 1.00 1.02 H new ATOM 0 HD11 ILE A 56 -5.256 0.055 0.625 1.00 73.35 H new ATOM 0 HD12 ILE A 56 -5.618 -0.355 -1.069 1.00 73.35 H new ATOM 0 HD13 ILE A 56 -4.879 -1.569 0.002 1.00 73.35 H new ATOM 981 N LEU A 57 0.057 -1.862 -3.108 1.00 21.43 N ATOM 982 CA LEU A 57 0.655 -2.743 -4.122 1.00 25.01 C ATOM 983 C LEU A 57 0.335 -4.211 -3.816 1.00 52.31 C ATOM 984 O LEU A 57 0.612 -4.699 -2.720 1.00 5.34 O ATOM 985 CB LEU A 57 2.180 -2.549 -4.196 1.00 5.32 C ATOM 986 CG LEU A 57 2.664 -1.179 -4.713 1.00 21.32 C ATOM 987 CD1 LEU A 57 1.990 -0.824 -6.037 1.00 23.53 C ATOM 988 CD2 LEU A 57 2.437 -0.082 -3.675 1.00 20.52 C ATOM 0 H LEU A 57 0.491 -1.933 -2.188 1.00 21.43 H new ATOM 0 HA LEU A 57 0.224 -2.477 -5.087 1.00 25.01 H new ATOM 0 HB2 LEU A 57 2.595 -2.706 -3.200 1.00 5.32 H new ATOM 0 HB3 LEU A 57 2.594 -3.325 -4.840 1.00 5.32 H new ATOM 0 HG LEU A 57 3.737 -1.253 -4.889 1.00 21.32 H new ATOM 0 HD11 LEU A 57 2.349 0.147 -6.379 1.00 23.53 H new ATOM 0 HD12 LEU A 57 2.229 -1.583 -6.782 1.00 23.53 H new ATOM 0 HD13 LEU A 57 0.910 -0.782 -5.896 1.00 23.53 H new ATOM 0 HD21 LEU A 57 2.789 0.871 -4.070 1.00 20.52 H new ATOM 0 HD22 LEU A 57 1.373 -0.010 -3.448 1.00 20.52 H new ATOM 0 HD23 LEU A 57 2.987 -0.323 -2.765 1.00 20.52 H new ATOM 1000 N VAL A 58 -0.246 -4.916 -4.783 1.00 4.01 N ATOM 1001 CA VAL A 58 -0.668 -6.310 -4.580 1.00 35.11 C ATOM 1002 C VAL A 58 -0.020 -7.272 -5.592 1.00 53.03 C ATOM 1003 O VAL A 58 0.361 -6.876 -6.693 1.00 63.13 O ATOM 1004 CB VAL A 58 -2.206 -6.436 -4.678 1.00 1.23 C ATOM 1005 CG1 VAL A 58 -2.889 -5.628 -3.577 1.00 52.22 C ATOM 1006 CG2 VAL A 58 -2.691 -5.989 -6.053 1.00 52.23 C ATOM 0 H VAL A 58 -0.438 -4.551 -5.716 1.00 4.01 H new ATOM 0 HA VAL A 58 -0.334 -6.591 -3.581 1.00 35.11 H new ATOM 0 HB VAL A 58 -2.472 -7.484 -4.542 1.00 1.23 H new ATOM 0 HG11 VAL A 58 -3.970 -5.732 -3.667 1.00 52.22 H new ATOM 0 HG12 VAL A 58 -2.568 -5.997 -2.603 1.00 52.22 H new ATOM 0 HG13 VAL A 58 -2.616 -4.577 -3.675 1.00 52.22 H new ATOM 0 HG21 VAL A 58 -3.776 -6.084 -6.105 1.00 52.23 H new ATOM 0 HG22 VAL A 58 -2.410 -4.949 -6.218 1.00 52.23 H new ATOM 0 HG23 VAL A 58 -2.235 -6.614 -6.821 1.00 52.23 H new ATOM 1016 N SER A 59 0.084 -8.545 -5.205 1.00 34.31 N ATOM 1017 CA SER A 59 0.683 -9.586 -6.061 1.00 13.11 C ATOM 1018 C SER A 59 -0.301 -10.111 -7.126 1.00 11.10 C ATOM 1019 O SER A 59 0.077 -10.322 -8.282 1.00 53.23 O ATOM 1020 CB SER A 59 1.179 -10.755 -5.196 1.00 72.12 C ATOM 1021 OG SER A 59 1.699 -11.813 -5.990 1.00 30.24 O ATOM 0 H SER A 59 -0.239 -8.887 -4.300 1.00 34.31 H new ATOM 0 HA SER A 59 1.520 -9.127 -6.587 1.00 13.11 H new ATOM 0 HB2 SER A 59 1.950 -10.400 -4.512 1.00 72.12 H new ATOM 0 HB3 SER A 59 0.358 -11.129 -4.584 1.00 72.12 H new ATOM 0 HG SER A 59 2.006 -12.539 -5.407 1.00 30.24 H new ATOM 1027 N ASN A 60 -1.564 -10.328 -6.739 1.00 71.31 N ATOM 1028 CA ASN A 60 -2.575 -10.882 -7.661 1.00 71.22 C ATOM 1029 C ASN A 60 -3.870 -10.047 -7.653 1.00 71.11 C ATOM 1030 O ASN A 60 -4.101 -9.251 -6.742 1.00 73.13 O ATOM 1031 CB ASN A 60 -2.901 -12.336 -7.287 1.00 41.21 C ATOM 1032 CG ASN A 60 -1.664 -13.215 -7.225 1.00 22.32 C ATOM 1033 OD1 ASN A 60 -1.218 -13.755 -8.233 1.00 42.02 O ATOM 1034 ND2 ASN A 60 -1.102 -13.378 -6.042 1.00 33.13 N ATOM 0 H ASN A 60 -1.913 -10.131 -5.801 1.00 71.31 H new ATOM 0 HA ASN A 60 -2.152 -10.848 -8.665 1.00 71.22 H new ATOM 0 HB2 ASN A 60 -3.404 -12.354 -6.320 1.00 41.21 H new ATOM 0 HB3 ASN A 60 -3.598 -12.747 -8.017 1.00 41.21 H new ATOM 0 HD21 ASN A 60 -0.274 -13.966 -5.947 1.00 33.13 H new ATOM 0 HD22 ASN A 60 -1.496 -12.916 -5.222 1.00 33.13 H new ATOM 1041 N ASP A 61 -4.721 -10.254 -8.664 1.00 2.33 N ATOM 1042 CA ASP A 61 -5.982 -9.506 -8.788 1.00 53.02 C ATOM 1043 C ASP A 61 -6.969 -9.836 -7.651 1.00 4.23 C ATOM 1044 O ASP A 61 -7.831 -9.024 -7.314 1.00 54.01 O ATOM 1045 CB ASP A 61 -6.635 -9.776 -10.147 1.00 1.42 C ATOM 1046 CG ASP A 61 -5.750 -9.364 -11.308 1.00 62.04 C ATOM 1047 OD1 ASP A 61 -5.638 -8.153 -11.575 1.00 33.53 O ATOM 1048 OD2 ASP A 61 -5.155 -10.250 -11.956 1.00 52.23 O ATOM 0 H ASP A 61 -4.562 -10.932 -9.409 1.00 2.33 H new ATOM 0 HA ASP A 61 -5.735 -8.447 -8.711 1.00 53.02 H new ATOM 0 HB2 ASP A 61 -6.868 -10.838 -10.230 1.00 1.42 H new ATOM 0 HB3 ASP A 61 -7.581 -9.237 -10.206 1.00 1.42 H new ATOM 1053 N GLU A 62 -6.853 -11.029 -7.071 1.00 3.14 N ATOM 1054 CA GLU A 62 -7.660 -11.389 -5.896 1.00 54.23 C ATOM 1055 C GLU A 62 -7.270 -10.513 -4.698 1.00 54.24 C ATOM 1056 O GLU A 62 -8.125 -9.951 -4.012 1.00 13.22 O ATOM 1057 CB GLU A 62 -7.485 -12.876 -5.545 1.00 22.21 C ATOM 1058 CG GLU A 62 -8.037 -13.843 -6.595 1.00 65.53 C ATOM 1059 CD GLU A 62 -7.333 -13.731 -7.940 1.00 11.51 C ATOM 1060 OE1 GLU A 62 -6.115 -13.999 -8.002 1.00 14.34 O ATOM 1061 OE2 GLU A 62 -7.986 -13.359 -8.936 1.00 53.31 O ATOM 0 H GLU A 62 -6.216 -11.760 -7.388 1.00 3.14 H new ATOM 0 HA GLU A 62 -8.709 -11.216 -6.136 1.00 54.23 H new ATOM 0 HB2 GLU A 62 -6.424 -13.081 -5.403 1.00 22.21 H new ATOM 0 HB3 GLU A 62 -7.978 -13.072 -4.593 1.00 22.21 H new ATOM 0 HG2 GLU A 62 -7.941 -14.864 -6.226 1.00 65.53 H new ATOM 0 HG3 GLU A 62 -9.101 -13.652 -6.732 1.00 65.53 H new ATOM 1068 N GLU A 63 -5.960 -10.396 -4.470 1.00 3.11 N ATOM 1069 CA GLU A 63 -5.415 -9.494 -3.449 1.00 11.23 C ATOM 1070 C GLU A 63 -5.869 -8.050 -3.728 1.00 3.35 C ATOM 1071 O GLU A 63 -6.261 -7.312 -2.822 1.00 42.51 O ATOM 1072 CB GLU A 63 -3.879 -9.567 -3.459 1.00 31.42 C ATOM 1073 CG GLU A 63 -3.311 -10.988 -3.468 1.00 65.25 C ATOM 1074 CD GLU A 63 -3.513 -11.737 -2.156 1.00 62.32 C ATOM 1075 OE1 GLU A 63 -4.592 -12.339 -1.963 1.00 1.21 O ATOM 1076 OE2 GLU A 63 -2.584 -11.741 -1.324 1.00 65.44 O ATOM 0 H GLU A 63 -5.250 -10.919 -4.983 1.00 3.11 H new ATOM 0 HA GLU A 63 -5.783 -9.800 -2.470 1.00 11.23 H new ATOM 0 HB2 GLU A 63 -3.508 -9.036 -4.336 1.00 31.42 H new ATOM 0 HB3 GLU A 63 -3.497 -9.042 -2.583 1.00 31.42 H new ATOM 0 HG2 GLU A 63 -3.780 -11.552 -4.274 1.00 65.25 H new ATOM 0 HG3 GLU A 63 -2.245 -10.942 -3.690 1.00 65.25 H new ATOM 1083 N LEU A 64 -5.809 -7.670 -5.009 1.00 60.44 N ATOM 1084 CA LEU A 64 -6.265 -6.355 -5.482 1.00 72.03 C ATOM 1085 C LEU A 64 -7.730 -6.094 -5.100 1.00 31.23 C ATOM 1086 O LEU A 64 -8.067 -5.049 -4.536 1.00 35.02 O ATOM 1087 CB LEU A 64 -6.123 -6.290 -7.012 1.00 41.30 C ATOM 1088 CG LEU A 64 -6.426 -4.928 -7.660 1.00 23.45 C ATOM 1089 CD1 LEU A 64 -5.340 -3.920 -7.315 1.00 64.41 C ATOM 1090 CD2 LEU A 64 -6.572 -5.074 -9.173 1.00 25.20 C ATOM 0 H LEU A 64 -5.442 -8.267 -5.750 1.00 60.44 H new ATOM 0 HA LEU A 64 -5.649 -5.592 -5.007 1.00 72.03 H new ATOM 0 HB2 LEU A 64 -5.105 -6.577 -7.275 1.00 41.30 H new ATOM 0 HB3 LEU A 64 -6.787 -7.035 -7.451 1.00 41.30 H new ATOM 0 HG LEU A 64 -7.371 -4.559 -7.262 1.00 23.45 H new ATOM 0 HD11 LEU A 64 -5.571 -2.962 -7.782 1.00 64.41 H new ATOM 0 HD12 LEU A 64 -5.291 -3.794 -6.233 1.00 64.41 H new ATOM 0 HD13 LEU A 64 -4.379 -4.280 -7.682 1.00 64.41 H new ATOM 0 HD21 LEU A 64 -6.786 -4.100 -9.614 1.00 25.20 H new ATOM 0 HD22 LEU A 64 -5.645 -5.466 -9.592 1.00 25.20 H new ATOM 0 HD23 LEU A 64 -7.389 -5.760 -9.395 1.00 25.20 H new ATOM 1102 N ASP A 65 -8.588 -7.060 -5.422 1.00 5.50 N ATOM 1103 CA ASP A 65 -10.027 -6.951 -5.178 1.00 33.30 C ATOM 1104 C ASP A 65 -10.324 -6.722 -3.687 1.00 11.44 C ATOM 1105 O ASP A 65 -11.044 -5.794 -3.323 1.00 31.43 O ATOM 1106 CB ASP A 65 -10.734 -8.223 -5.671 1.00 34.32 C ATOM 1107 CG ASP A 65 -12.239 -8.048 -5.796 1.00 4.21 C ATOM 1108 OD1 ASP A 65 -12.950 -8.179 -4.780 1.00 73.42 O ATOM 1109 OD2 ASP A 65 -12.717 -7.773 -6.919 1.00 23.12 O ATOM 0 H ASP A 65 -8.308 -7.938 -5.858 1.00 5.50 H new ATOM 0 HA ASP A 65 -10.404 -6.090 -5.729 1.00 33.30 H new ATOM 0 HB2 ASP A 65 -10.324 -8.509 -6.640 1.00 34.32 H new ATOM 0 HB3 ASP A 65 -10.524 -9.041 -4.982 1.00 34.32 H new ATOM 1114 N LYS A 66 -9.755 -7.571 -2.832 1.00 43.52 N ATOM 1115 CA LYS A 66 -9.982 -7.484 -1.386 1.00 21.13 C ATOM 1116 C LYS A 66 -9.410 -6.190 -0.780 1.00 62.24 C ATOM 1117 O LYS A 66 -10.051 -5.562 0.064 1.00 63.53 O ATOM 1118 CB LYS A 66 -9.391 -8.712 -0.677 1.00 42.14 C ATOM 1119 CG LYS A 66 -10.029 -10.033 -1.101 1.00 34.10 C ATOM 1120 CD LYS A 66 -11.549 -10.017 -0.913 1.00 3.25 C ATOM 1121 CE LYS A 66 -11.944 -9.778 0.541 1.00 72.21 C ATOM 1122 NZ LYS A 66 -13.406 -9.561 0.697 1.00 52.52 N ATOM 0 H LYS A 66 -9.133 -8.328 -3.114 1.00 43.52 H new ATOM 0 HA LYS A 66 -11.061 -7.463 -1.231 1.00 21.13 H new ATOM 0 HB2 LYS A 66 -8.320 -8.755 -0.877 1.00 42.14 H new ATOM 0 HB3 LYS A 66 -9.510 -8.591 0.400 1.00 42.14 H new ATOM 0 HG2 LYS A 66 -9.794 -10.231 -2.147 1.00 34.10 H new ATOM 0 HG3 LYS A 66 -9.599 -10.848 -0.518 1.00 34.10 H new ATOM 0 HD2 LYS A 66 -11.983 -9.238 -1.539 1.00 3.25 H new ATOM 0 HD3 LYS A 66 -11.966 -10.966 -1.250 1.00 3.25 H new ATOM 0 HE2 LYS A 66 -11.639 -10.633 1.144 1.00 72.21 H new ATOM 0 HE3 LYS A 66 -11.407 -8.910 0.924 1.00 72.21 H new ATOM 0 HZ1 LYS A 66 -13.666 -9.656 1.699 1.00 52.52 H new ATOM 0 HZ2 LYS A 66 -13.653 -8.607 0.364 1.00 52.52 H new ATOM 0 HZ3 LYS A 66 -13.924 -10.268 0.137 1.00 52.52 H new ATOM 1136 N ALA A 67 -8.213 -5.795 -1.214 1.00 25.54 N ATOM 1137 CA ALA A 67 -7.575 -4.566 -0.722 1.00 72.32 C ATOM 1138 C ALA A 67 -8.480 -3.337 -0.923 1.00 72.23 C ATOM 1139 O ALA A 67 -8.736 -2.576 0.013 1.00 52.31 O ATOM 1140 CB ALA A 67 -6.235 -4.354 -1.418 1.00 13.44 C ATOM 0 H ALA A 67 -7.663 -6.305 -1.905 1.00 25.54 H new ATOM 0 HA ALA A 67 -7.409 -4.683 0.349 1.00 72.32 H new ATOM 0 HB1 ALA A 67 -5.772 -3.440 -1.045 1.00 13.44 H new ATOM 0 HB2 ALA A 67 -5.581 -5.202 -1.214 1.00 13.44 H new ATOM 0 HB3 ALA A 67 -6.393 -4.268 -2.493 1.00 13.44 H new ATOM 1146 N LYS A 68 -8.967 -3.155 -2.151 1.00 25.13 N ATOM 1147 CA LYS A 68 -9.857 -2.031 -2.473 1.00 3.44 C ATOM 1148 C LYS A 68 -11.248 -2.221 -1.843 1.00 52.33 C ATOM 1149 O LYS A 68 -11.873 -1.258 -1.399 1.00 32.13 O ATOM 1150 CB LYS A 68 -9.975 -1.861 -3.998 1.00 24.44 C ATOM 1151 CG LYS A 68 -10.645 -3.035 -4.706 1.00 71.14 C ATOM 1152 CD LYS A 68 -10.562 -2.936 -6.233 1.00 13.41 C ATOM 1153 CE LYS A 68 -11.237 -1.678 -6.789 1.00 4.05 C ATOM 1154 NZ LYS A 68 -10.369 -0.471 -6.696 1.00 24.13 N ATOM 0 H LYS A 68 -8.763 -3.768 -2.940 1.00 25.13 H new ATOM 0 HA LYS A 68 -9.421 -1.126 -2.051 1.00 3.44 H new ATOM 0 HB2 LYS A 68 -10.540 -0.953 -4.209 1.00 24.44 H new ATOM 0 HB3 LYS A 68 -8.978 -1.720 -4.415 1.00 24.44 H new ATOM 0 HG2 LYS A 68 -10.177 -3.964 -4.381 1.00 71.14 H new ATOM 0 HG3 LYS A 68 -11.692 -3.084 -4.406 1.00 71.14 H new ATOM 0 HD2 LYS A 68 -9.515 -2.944 -6.536 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -11.028 -3.817 -6.675 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -11.508 -1.846 -7.831 1.00 4.05 H new ATOM 0 HE3 LYS A 68 -12.164 -1.497 -6.244 1.00 4.05 H new ATOM 0 HZ1 LYS A 68 -10.772 0.194 -6.005 1.00 24.13 H new ATOM 0 HZ2 LYS A 68 -9.415 -0.752 -6.391 1.00 24.13 H new ATOM 0 HZ3 LYS A 68 -10.313 -0.011 -7.627 1.00 24.13 H new ATOM 1168 N GLU A 69 -11.720 -3.470 -1.803 1.00 64.42 N ATOM 1169 CA GLU A 69 -13.023 -3.808 -1.218 1.00 65.21 C ATOM 1170 C GLU A 69 -13.104 -3.352 0.248 1.00 45.32 C ATOM 1171 O GLU A 69 -14.050 -2.672 0.652 1.00 31.00 O ATOM 1172 CB GLU A 69 -13.238 -5.327 -1.322 1.00 63.23 C ATOM 1173 CG GLU A 69 -14.697 -5.776 -1.295 1.00 43.21 C ATOM 1174 CD GLU A 69 -15.103 -6.472 -0.004 1.00 0.53 C ATOM 1175 OE1 GLU A 69 -14.235 -7.083 0.652 1.00 52.34 O ATOM 1176 OE2 GLU A 69 -16.293 -6.415 0.366 1.00 53.51 O ATOM 0 H GLU A 69 -11.213 -4.274 -2.173 1.00 64.42 H new ATOM 0 HA GLU A 69 -13.807 -3.288 -1.768 1.00 65.21 H new ATOM 0 HB2 GLU A 69 -12.782 -5.681 -2.247 1.00 63.23 H new ATOM 0 HB3 GLU A 69 -12.710 -5.811 -0.500 1.00 63.23 H new ATOM 0 HG2 GLU A 69 -15.337 -4.907 -1.445 1.00 43.21 H new ATOM 0 HG3 GLU A 69 -14.875 -6.451 -2.132 1.00 43.21 H new ATOM 1183 N LEU A 70 -12.095 -3.725 1.035 1.00 62.41 N ATOM 1184 CA LEU A 70 -11.998 -3.295 2.436 1.00 61.20 C ATOM 1185 C LEU A 70 -11.955 -1.763 2.551 1.00 62.11 C ATOM 1186 O LEU A 70 -12.721 -1.168 3.311 1.00 43.44 O ATOM 1187 CB LEU A 70 -10.750 -3.900 3.094 1.00 63.43 C ATOM 1188 CG LEU A 70 -10.759 -5.428 3.251 1.00 32.44 C ATOM 1189 CD1 LEU A 70 -9.438 -5.914 3.839 1.00 35.12 C ATOM 1190 CD2 LEU A 70 -11.930 -5.872 4.125 1.00 64.44 C ATOM 0 H LEU A 70 -11.330 -4.326 0.728 1.00 62.41 H new ATOM 0 HA LEU A 70 -12.889 -3.651 2.954 1.00 61.20 H new ATOM 0 HB2 LEU A 70 -9.877 -3.618 2.505 1.00 63.43 H new ATOM 0 HB3 LEU A 70 -10.627 -3.452 4.080 1.00 63.43 H new ATOM 0 HG LEU A 70 -10.880 -5.873 2.263 1.00 32.44 H new ATOM 0 HD11 LEU A 70 -9.463 -6.999 3.943 1.00 35.12 H new ATOM 0 HD12 LEU A 70 -8.619 -5.632 3.177 1.00 35.12 H new ATOM 0 HD13 LEU A 70 -9.286 -5.459 4.818 1.00 35.12 H new ATOM 0 HD21 LEU A 70 -11.919 -6.957 4.224 1.00 64.44 H new ATOM 0 HD22 LEU A 70 -11.841 -5.417 5.111 1.00 64.44 H new ATOM 0 HD23 LEU A 70 -12.867 -5.559 3.664 1.00 64.44 H new ATOM 1202 N ALA A 71 -11.058 -1.137 1.791 1.00 42.31 N ATOM 1203 CA ALA A 71 -10.897 0.324 1.808 1.00 24.04 C ATOM 1204 C ALA A 71 -12.226 1.052 1.543 1.00 22.23 C ATOM 1205 O ALA A 71 -12.585 1.992 2.259 1.00 24.25 O ATOM 1206 CB ALA A 71 -9.852 0.743 0.784 1.00 62.43 C ATOM 0 H ALA A 71 -10.426 -1.618 1.151 1.00 42.31 H new ATOM 0 HA ALA A 71 -10.563 0.610 2.805 1.00 24.04 H new ATOM 0 HB1 ALA A 71 -9.738 1.827 0.803 1.00 62.43 H new ATOM 0 HB2 ALA A 71 -8.898 0.274 1.025 1.00 62.43 H new ATOM 0 HB3 ALA A 71 -10.170 0.429 -0.210 1.00 62.43 H new ATOM 1212 N GLN A 72 -12.956 0.606 0.520 1.00 32.21 N ATOM 1213 CA GLN A 72 -14.268 1.176 0.185 1.00 3.30 C ATOM 1214 C GLN A 72 -15.245 1.075 1.371 1.00 63.44 C ATOM 1215 O GLN A 72 -15.905 2.054 1.730 1.00 23.33 O ATOM 1216 CB GLN A 72 -14.853 0.462 -1.042 1.00 22.13 C ATOM 1217 CG GLN A 72 -14.078 0.722 -2.331 1.00 4.21 C ATOM 1218 CD GLN A 72 -14.537 -0.152 -3.487 1.00 42.32 C ATOM 1219 OE1 GLN A 72 -15.693 -0.559 -3.558 1.00 71.03 O ATOM 1220 NE2 GLN A 72 -13.634 -0.450 -4.398 1.00 52.53 N ATOM 0 H GLN A 72 -12.662 -0.152 -0.096 1.00 32.21 H new ATOM 0 HA GLN A 72 -14.127 2.232 -0.044 1.00 3.30 H new ATOM 0 HB2 GLN A 72 -14.874 -0.611 -0.851 1.00 22.13 H new ATOM 0 HB3 GLN A 72 -15.886 0.782 -1.179 1.00 22.13 H new ATOM 0 HG2 GLN A 72 -14.188 1.770 -2.609 1.00 4.21 H new ATOM 0 HG3 GLN A 72 -13.017 0.549 -2.151 1.00 4.21 H new ATOM 0 HE21 GLN A 72 -12.682 -0.095 -4.308 1.00 52.53 H new ATOM 0 HE22 GLN A 72 -13.886 -1.036 -5.194 1.00 52.53 H new ATOM 1229 N LYS A 73 -15.320 -0.107 1.982 1.00 53.01 N ATOM 1230 CA LYS A 73 -16.196 -0.327 3.144 1.00 13.23 C ATOM 1231 C LYS A 73 -15.741 0.497 4.366 1.00 13.44 C ATOM 1232 O LYS A 73 -16.536 0.807 5.261 1.00 31.50 O ATOM 1233 CB LYS A 73 -16.236 -1.824 3.491 1.00 32.25 C ATOM 1234 CG LYS A 73 -16.740 -2.693 2.341 1.00 23.51 C ATOM 1235 CD LYS A 73 -16.830 -4.172 2.712 1.00 12.13 C ATOM 1236 CE LYS A 73 -15.474 -4.775 3.073 1.00 13.33 C ATOM 1237 NZ LYS A 73 -15.518 -6.265 3.090 1.00 21.11 N ATOM 0 H LYS A 73 -14.788 -0.929 1.696 1.00 53.01 H new ATOM 0 HA LYS A 73 -17.198 0.010 2.879 1.00 13.23 H new ATOM 0 HB2 LYS A 73 -15.236 -2.152 3.775 1.00 32.25 H new ATOM 0 HB3 LYS A 73 -16.878 -1.972 4.359 1.00 32.25 H new ATOM 0 HG2 LYS A 73 -17.723 -2.341 2.029 1.00 23.51 H new ATOM 0 HG3 LYS A 73 -16.074 -2.578 1.486 1.00 23.51 H new ATOM 0 HD2 LYS A 73 -17.511 -4.290 3.555 1.00 12.13 H new ATOM 0 HD3 LYS A 73 -17.258 -4.726 1.877 1.00 12.13 H new ATOM 0 HE2 LYS A 73 -14.725 -4.442 2.355 1.00 13.33 H new ATOM 0 HE3 LYS A 73 -15.162 -4.409 4.051 1.00 13.33 H new ATOM 0 HZ1 LYS A 73 -14.565 -6.642 2.915 1.00 21.11 H new ATOM 0 HZ2 LYS A 73 -15.855 -6.592 4.018 1.00 21.11 H new ATOM 0 HZ3 LYS A 73 -16.165 -6.602 2.349 1.00 21.11 H new ATOM 1251 N MET A 74 -14.456 0.844 4.397 1.00 32.12 N ATOM 1252 CA MET A 74 -13.893 1.686 5.463 1.00 2.42 C ATOM 1253 C MET A 74 -13.901 3.175 5.059 1.00 5.11 C ATOM 1254 O MET A 74 -13.516 4.045 5.846 1.00 65.20 O ATOM 1255 CB MET A 74 -12.463 1.221 5.781 1.00 23.21 C ATOM 1256 CG MET A 74 -12.375 -0.248 6.183 1.00 22.23 C ATOM 1257 SD MET A 74 -13.007 -0.571 7.843 1.00 32.31 S ATOM 1258 CE MET A 74 -11.597 -0.085 8.837 1.00 74.01 C ATOM 0 H MET A 74 -13.777 0.555 3.693 1.00 32.12 H new ATOM 0 HA MET A 74 -14.513 1.583 6.354 1.00 2.42 H new ATOM 0 HB2 MET A 74 -11.832 1.389 4.908 1.00 23.21 H new ATOM 0 HB3 MET A 74 -12.061 1.835 6.587 1.00 23.21 H new ATOM 0 HG2 MET A 74 -12.934 -0.848 5.465 1.00 22.23 H new ATOM 0 HG3 MET A 74 -11.336 -0.571 6.128 1.00 22.23 H new ATOM 0 HE1 MET A 74 -11.665 -0.554 9.819 1.00 74.01 H new ATOM 0 HE2 MET A 74 -10.678 -0.404 8.345 1.00 74.01 H new ATOM 0 HE3 MET A 74 -11.590 0.999 8.953 1.00 74.01 H new ATOM 1268 N GLU A 75 -14.346 3.449 3.825 1.00 13.44 N ATOM 1269 CA GLU A 75 -14.463 4.819 3.286 1.00 71.35 C ATOM 1270 C GLU A 75 -13.099 5.515 3.111 1.00 72.12 C ATOM 1271 O GLU A 75 -13.022 6.746 3.100 1.00 5.40 O ATOM 1272 CB GLU A 75 -15.384 5.681 4.169 1.00 5.41 C ATOM 1273 CG GLU A 75 -16.830 5.198 4.218 1.00 3.23 C ATOM 1274 CD GLU A 75 -17.741 6.160 4.966 1.00 40.20 C ATOM 1275 OE1 GLU A 75 -18.265 7.102 4.334 1.00 65.50 O ATOM 1276 OE2 GLU A 75 -17.931 5.981 6.189 1.00 4.31 O ATOM 0 H GLU A 75 -14.637 2.726 3.167 1.00 13.44 H new ATOM 0 HA GLU A 75 -14.903 4.718 2.294 1.00 71.35 H new ATOM 0 HB2 GLU A 75 -14.984 5.700 5.183 1.00 5.41 H new ATOM 0 HB3 GLU A 75 -15.367 6.707 3.800 1.00 5.41 H new ATOM 0 HG2 GLU A 75 -17.201 5.068 3.201 1.00 3.23 H new ATOM 0 HG3 GLU A 75 -16.867 4.220 4.698 1.00 3.23 H new ATOM 1283 N ILE A 76 -12.036 4.735 2.931 1.00 45.33 N ATOM 1284 CA ILE A 76 -10.686 5.293 2.760 1.00 31.31 C ATOM 1285 C ILE A 76 -10.260 5.275 1.276 1.00 55.04 C ATOM 1286 O ILE A 76 -10.291 4.229 0.625 1.00 2.33 O ATOM 1287 CB ILE A 76 -9.641 4.509 3.599 1.00 22.52 C ATOM 1288 CG1 ILE A 76 -10.137 4.319 5.047 1.00 12.52 C ATOM 1289 CG2 ILE A 76 -8.289 5.228 3.582 1.00 15.10 C ATOM 1290 CD1 ILE A 76 -9.182 3.534 5.920 1.00 72.12 C ATOM 0 H ILE A 76 -12.077 3.716 2.899 1.00 45.33 H new ATOM 0 HA ILE A 76 -10.722 6.324 3.111 1.00 31.31 H new ATOM 0 HB ILE A 76 -9.512 3.524 3.151 1.00 22.52 H new ATOM 0 HG12 ILE A 76 -10.304 5.298 5.496 1.00 12.52 H new ATOM 0 HG13 ILE A 76 -11.100 3.809 5.028 1.00 12.52 H new ATOM 0 HG21 ILE A 76 -7.569 4.664 4.175 1.00 15.10 H new ATOM 0 HG22 ILE A 76 -7.931 5.306 2.555 1.00 15.10 H new ATOM 0 HG23 ILE A 76 -8.403 6.227 4.003 1.00 15.10 H new ATOM 0 HD11 ILE A 76 -9.598 3.441 6.923 1.00 72.12 H new ATOM 0 HD12 ILE A 76 -9.034 2.541 5.496 1.00 72.12 H new ATOM 0 HD13 ILE A 76 -8.225 4.053 5.971 1.00 72.12 H new ATOM 1302 N ASP A 77 -9.862 6.435 0.749 1.00 51.01 N ATOM 1303 CA ASP A 77 -9.453 6.555 -0.659 1.00 34.14 C ATOM 1304 C ASP A 77 -8.038 5.986 -0.893 1.00 73.41 C ATOM 1305 O ASP A 77 -7.034 6.595 -0.508 1.00 24.43 O ATOM 1306 CB ASP A 77 -9.513 8.023 -1.094 1.00 53.00 C ATOM 1307 CG ASP A 77 -10.906 8.607 -0.946 1.00 24.24 C ATOM 1308 OD1 ASP A 77 -11.703 8.520 -1.907 1.00 62.31 O ATOM 1309 OD2 ASP A 77 -11.220 9.142 0.136 1.00 43.22 O ATOM 0 H ASP A 77 -9.813 7.308 1.274 1.00 51.01 H new ATOM 0 HA ASP A 77 -10.146 5.968 -1.262 1.00 34.14 H new ATOM 0 HB2 ASP A 77 -8.811 8.606 -0.498 1.00 53.00 H new ATOM 0 HB3 ASP A 77 -9.194 8.106 -2.133 1.00 53.00 H new ATOM 1314 N VAL A 78 -7.966 4.816 -1.537 1.00 21.05 N ATOM 1315 CA VAL A 78 -6.689 4.120 -1.761 1.00 62.34 C ATOM 1316 C VAL A 78 -6.396 3.899 -3.260 1.00 65.43 C ATOM 1317 O VAL A 78 -7.309 3.730 -4.072 1.00 33.14 O ATOM 1318 CB VAL A 78 -6.670 2.741 -1.045 1.00 51.13 C ATOM 1319 CG1 VAL A 78 -6.986 2.889 0.444 1.00 64.55 C ATOM 1320 CG2 VAL A 78 -7.643 1.765 -1.708 1.00 42.53 C ATOM 0 H VAL A 78 -8.778 4.328 -1.914 1.00 21.05 H new ATOM 0 HA VAL A 78 -5.917 4.767 -1.345 1.00 62.34 H new ATOM 0 HB VAL A 78 -5.663 2.334 -1.138 1.00 51.13 H new ATOM 0 HG11 VAL A 78 -6.966 1.908 0.919 1.00 64.55 H new ATOM 0 HG12 VAL A 78 -6.242 3.534 0.911 1.00 64.55 H new ATOM 0 HG13 VAL A 78 -7.976 3.330 0.564 1.00 64.55 H new ATOM 0 HG21 VAL A 78 -7.610 0.808 -1.187 1.00 42.53 H new ATOM 0 HG22 VAL A 78 -8.654 2.170 -1.659 1.00 42.53 H new ATOM 0 HG23 VAL A 78 -7.360 1.621 -2.751 1.00 42.53 H new ATOM 1330 N ARG A 79 -5.110 3.899 -3.616 1.00 21.54 N ATOM 1331 CA ARG A 79 -4.674 3.554 -4.976 1.00 20.33 C ATOM 1332 C ARG A 79 -4.208 2.089 -5.043 1.00 14.03 C ATOM 1333 O ARG A 79 -3.055 1.784 -4.741 1.00 65.42 O ATOM 1334 CB ARG A 79 -3.526 4.467 -5.435 1.00 15.55 C ATOM 1335 CG ARG A 79 -3.891 5.941 -5.576 1.00 53.44 C ATOM 1336 CD ARG A 79 -2.746 6.725 -6.212 1.00 33.34 C ATOM 1337 NE ARG A 79 -3.047 8.148 -6.352 1.00 24.14 N ATOM 1338 CZ ARG A 79 -3.549 8.696 -7.430 1.00 63.11 C ATOM 1339 NH1 ARG A 79 -3.858 7.976 -8.465 1.00 3.10 N ATOM 1340 NH2 ARG A 79 -3.744 9.969 -7.471 1.00 2.42 N ATOM 0 H ARG A 79 -4.348 4.135 -2.981 1.00 21.54 H new ATOM 0 HA ARG A 79 -5.529 3.694 -5.638 1.00 20.33 H new ATOM 0 HB2 ARG A 79 -2.705 4.378 -4.724 1.00 15.55 H new ATOM 0 HB3 ARG A 79 -3.157 4.106 -6.395 1.00 15.55 H new ATOM 0 HG2 ARG A 79 -4.789 6.041 -6.186 1.00 53.44 H new ATOM 0 HG3 ARG A 79 -4.123 6.358 -4.596 1.00 53.44 H new ATOM 0 HD2 ARG A 79 -1.848 6.606 -5.605 1.00 33.34 H new ATOM 0 HD3 ARG A 79 -2.525 6.306 -7.194 1.00 33.34 H new ATOM 0 HE ARG A 79 -2.853 8.756 -5.556 1.00 24.14 H new ATOM 0 HH11 ARG A 79 -3.711 6.967 -8.447 1.00 3.10 H new ATOM 0 HH12 ARG A 79 -4.248 8.419 -9.297 1.00 3.10 H new ATOM 0 HH21 ARG A 79 -3.507 10.547 -6.665 1.00 2.42 H new ATOM 0 HH22 ARG A 79 -4.135 10.398 -8.310 1.00 2.42 H new ATOM 1354 N THR A 80 -5.108 1.187 -5.418 1.00 1.45 N ATOM 1355 CA THR A 80 -4.769 -0.239 -5.539 1.00 42.40 C ATOM 1356 C THR A 80 -4.161 -0.570 -6.911 1.00 62.35 C ATOM 1357 O THR A 80 -4.823 -0.438 -7.944 1.00 22.42 O ATOM 1358 CB THR A 80 -6.004 -1.144 -5.305 1.00 73.03 C ATOM 1359 OG1 THR A 80 -7.124 -0.676 -6.077 1.00 74.34 O ATOM 1360 CG2 THR A 80 -6.374 -1.194 -3.829 1.00 74.35 C ATOM 0 H THR A 80 -6.077 1.410 -5.644 1.00 1.45 H new ATOM 0 HA THR A 80 -4.027 -0.438 -4.765 1.00 42.40 H new ATOM 0 HB THR A 80 -5.746 -2.152 -5.629 1.00 73.03 H new ATOM 0 HG1 THR A 80 -6.825 -0.448 -6.982 1.00 74.34 H new ATOM 0 HG21 THR A 80 -7.244 -1.836 -3.694 1.00 74.35 H new ATOM 0 HG22 THR A 80 -5.536 -1.593 -3.257 1.00 74.35 H new ATOM 0 HG23 THR A 80 -6.607 -0.189 -3.478 1.00 74.35 H new ATOM 1368 N ARG A 81 -2.897 -0.996 -6.906 1.00 74.43 N ATOM 1369 CA ARG A 81 -2.179 -1.378 -8.134 1.00 22.35 C ATOM 1370 C ARG A 81 -1.519 -2.763 -7.986 1.00 52.41 C ATOM 1371 O ARG A 81 -1.147 -3.171 -6.885 1.00 0.15 O ATOM 1372 CB ARG A 81 -1.117 -0.320 -8.478 1.00 11.12 C ATOM 1373 CG ARG A 81 -1.703 1.047 -8.830 1.00 74.41 C ATOM 1374 CD ARG A 81 -2.611 0.970 -10.055 1.00 44.33 C ATOM 1375 NE ARG A 81 -3.153 2.272 -10.442 1.00 34.00 N ATOM 1376 CZ ARG A 81 -3.592 2.546 -11.640 1.00 0.50 C ATOM 1377 NH1 ARG A 81 -3.552 1.651 -12.575 1.00 1.41 N ATOM 1378 NH2 ARG A 81 -4.067 3.718 -11.912 1.00 13.45 N ATOM 0 H ARG A 81 -2.339 -1.088 -6.057 1.00 74.43 H new ATOM 0 HA ARG A 81 -2.905 -1.434 -8.946 1.00 22.35 H new ATOM 0 HB2 ARG A 81 -0.441 -0.208 -7.631 1.00 11.12 H new ATOM 0 HB3 ARG A 81 -0.520 -0.677 -9.317 1.00 11.12 H new ATOM 0 HG2 ARG A 81 -2.268 1.431 -7.981 1.00 74.41 H new ATOM 0 HG3 ARG A 81 -0.894 1.753 -9.020 1.00 74.41 H new ATOM 0 HD2 ARG A 81 -2.051 0.552 -10.891 1.00 44.33 H new ATOM 0 HD3 ARG A 81 -3.434 0.286 -9.849 1.00 44.33 H new ATOM 0 HE ARG A 81 -3.190 3.007 -9.736 1.00 34.00 H new ATOM 0 HH11 ARG A 81 -3.175 0.724 -12.378 1.00 1.41 H new ATOM 0 HH12 ARG A 81 -3.897 1.873 -13.509 1.00 1.41 H new ATOM 0 HH21 ARG A 81 -4.100 4.435 -11.188 1.00 13.45 H new ATOM 0 HH22 ARG A 81 -4.408 3.925 -12.851 1.00 13.45 H new ATOM 1392 N LYS A 82 -1.371 -3.477 -9.101 1.00 40.14 N ATOM 1393 CA LYS A 82 -0.810 -4.837 -9.084 1.00 22.15 C ATOM 1394 C LYS A 82 0.629 -4.866 -9.628 1.00 13.45 C ATOM 1395 O LYS A 82 0.919 -4.287 -10.677 1.00 14.41 O ATOM 1396 CB LYS A 82 -1.708 -5.776 -9.904 1.00 63.11 C ATOM 1397 CG LYS A 82 -1.257 -7.238 -9.902 1.00 54.25 C ATOM 1398 CD LYS A 82 -2.202 -8.123 -10.715 1.00 71.32 C ATOM 1399 CE LYS A 82 -2.249 -7.712 -12.183 1.00 22.33 C ATOM 1400 NZ LYS A 82 -3.196 -8.553 -12.961 1.00 62.25 N ATOM 0 H LYS A 82 -1.630 -3.141 -10.029 1.00 40.14 H new ATOM 0 HA LYS A 82 -0.775 -5.176 -8.049 1.00 22.15 H new ATOM 0 HB2 LYS A 82 -2.724 -5.721 -9.514 1.00 63.11 H new ATOM 0 HB3 LYS A 82 -1.742 -5.420 -10.934 1.00 63.11 H new ATOM 0 HG2 LYS A 82 -0.250 -7.308 -10.312 1.00 54.25 H new ATOM 0 HG3 LYS A 82 -1.210 -7.603 -8.876 1.00 54.25 H new ATOM 0 HD2 LYS A 82 -1.880 -9.162 -10.640 1.00 71.32 H new ATOM 0 HD3 LYS A 82 -3.205 -8.068 -10.291 1.00 71.32 H new ATOM 0 HE2 LYS A 82 -2.546 -6.666 -12.258 1.00 22.33 H new ATOM 0 HE3 LYS A 82 -1.252 -7.793 -12.615 1.00 22.33 H new ATOM 0 HZ1 LYS A 82 -2.765 -8.809 -13.872 1.00 62.25 H new ATOM 0 HZ2 LYS A 82 -3.413 -9.418 -12.425 1.00 62.25 H new ATOM 0 HZ3 LYS A 82 -4.074 -8.021 -13.131 1.00 62.25 H new ATOM 1414 N VAL A 83 1.527 -5.548 -8.915 1.00 42.21 N ATOM 1415 CA VAL A 83 2.937 -5.635 -9.313 1.00 54.43 C ATOM 1416 C VAL A 83 3.471 -7.078 -9.224 1.00 54.23 C ATOM 1417 O VAL A 83 3.203 -7.796 -8.262 1.00 33.04 O ATOM 1418 CB VAL A 83 3.829 -4.710 -8.437 1.00 71.54 C ATOM 1419 CG1 VAL A 83 3.420 -3.245 -8.593 1.00 71.40 C ATOM 1420 CG2 VAL A 83 3.775 -5.130 -6.966 1.00 44.24 C ATOM 0 H VAL A 83 1.304 -6.050 -8.056 1.00 42.21 H new ATOM 0 HA VAL A 83 2.984 -5.307 -10.351 1.00 54.43 H new ATOM 0 HB VAL A 83 4.857 -4.814 -8.784 1.00 71.54 H new ATOM 0 HG11 VAL A 83 4.060 -2.620 -7.970 1.00 71.40 H new ATOM 0 HG12 VAL A 83 3.526 -2.947 -9.636 1.00 71.40 H new ATOM 0 HG13 VAL A 83 2.382 -3.122 -8.285 1.00 71.40 H new ATOM 0 HG21 VAL A 83 4.407 -4.467 -6.375 1.00 44.24 H new ATOM 0 HG22 VAL A 83 2.748 -5.067 -6.607 1.00 44.24 H new ATOM 0 HG23 VAL A 83 4.132 -6.155 -6.867 1.00 44.24 H new ATOM 1430 N THR A 84 4.217 -7.504 -10.244 1.00 42.33 N ATOM 1431 CA THR A 84 4.885 -8.818 -10.224 1.00 2.11 C ATOM 1432 C THR A 84 6.415 -8.665 -10.222 1.00 45.12 C ATOM 1433 O THR A 84 7.145 -9.606 -9.913 1.00 11.44 O ATOM 1434 CB THR A 84 4.456 -9.710 -11.423 1.00 12.04 C ATOM 1435 OG1 THR A 84 4.775 -9.073 -12.672 1.00 61.31 O ATOM 1436 CG2 THR A 84 2.959 -10.008 -11.374 1.00 33.40 C ATOM 0 H THR A 84 4.377 -6.964 -11.095 1.00 42.33 H new ATOM 0 HA THR A 84 4.572 -9.309 -9.302 1.00 2.11 H new ATOM 0 HB THR A 84 5.007 -10.648 -11.348 1.00 12.04 H new ATOM 0 HG1 THR A 84 4.499 -9.651 -13.414 1.00 61.31 H new ATOM 0 HG21 THR A 84 2.685 -10.633 -12.223 1.00 33.40 H new ATOM 0 HG22 THR A 84 2.722 -10.530 -10.447 1.00 33.40 H new ATOM 0 HG23 THR A 84 2.400 -9.073 -11.416 1.00 33.40 H new ATOM 1444 N SER A 85 6.892 -7.469 -10.574 1.00 25.43 N ATOM 1445 CA SER A 85 8.326 -7.147 -10.520 1.00 20.32 C ATOM 1446 C SER A 85 8.601 -6.063 -9.465 1.00 10.51 C ATOM 1447 O SER A 85 7.858 -5.085 -9.368 1.00 33.20 O ATOM 1448 CB SER A 85 8.817 -6.659 -11.890 1.00 33.31 C ATOM 1449 OG SER A 85 8.621 -7.642 -12.898 1.00 52.40 O ATOM 0 H SER A 85 6.305 -6.702 -10.902 1.00 25.43 H new ATOM 0 HA SER A 85 8.864 -8.055 -10.246 1.00 20.32 H new ATOM 0 HB2 SER A 85 8.287 -5.747 -12.163 1.00 33.31 H new ATOM 0 HB3 SER A 85 9.876 -6.406 -11.829 1.00 33.31 H new ATOM 0 HG SER A 85 8.943 -7.298 -13.757 1.00 52.40 H new ATOM 1455 N PRO A 86 9.676 -6.209 -8.664 1.00 0.20 N ATOM 1456 CA PRO A 86 10.021 -5.239 -7.604 1.00 33.14 C ATOM 1457 C PRO A 86 10.112 -3.785 -8.105 1.00 21.22 C ATOM 1458 O PRO A 86 9.619 -2.863 -7.452 1.00 11.04 O ATOM 1459 CB PRO A 86 11.388 -5.729 -7.108 1.00 42.33 C ATOM 1460 CG PRO A 86 11.414 -7.184 -7.433 1.00 30.14 C ATOM 1461 CD PRO A 86 10.634 -7.335 -8.712 1.00 44.24 C ATOM 0 HA PRO A 86 9.252 -5.205 -6.832 1.00 33.14 H new ATOM 0 HB2 PRO A 86 12.201 -5.199 -7.603 1.00 42.33 H new ATOM 0 HB3 PRO A 86 11.503 -5.561 -6.037 1.00 42.33 H new ATOM 0 HG2 PRO A 86 12.437 -7.539 -7.555 1.00 30.14 H new ATOM 0 HG3 PRO A 86 10.967 -7.771 -6.631 1.00 30.14 H new ATOM 0 HD2 PRO A 86 11.281 -7.275 -9.587 1.00 44.24 H new ATOM 0 HD3 PRO A 86 10.122 -8.296 -8.760 1.00 44.24 H new ATOM 1469 N ASP A 87 10.734 -3.589 -9.268 1.00 12.32 N ATOM 1470 CA ASP A 87 10.902 -2.248 -9.847 1.00 3.44 C ATOM 1471 C ASP A 87 9.554 -1.564 -10.148 1.00 33.13 C ATOM 1472 O ASP A 87 9.469 -0.335 -10.206 1.00 14.21 O ATOM 1473 CB ASP A 87 11.770 -2.326 -11.103 1.00 70.10 C ATOM 1474 CG ASP A 87 13.165 -2.832 -10.784 1.00 70.02 C ATOM 1475 OD1 ASP A 87 14.003 -2.028 -10.326 1.00 51.41 O ATOM 1476 OD2 ASP A 87 13.425 -4.037 -10.974 1.00 35.33 O ATOM 0 H ASP A 87 11.132 -4.341 -9.831 1.00 12.32 H new ATOM 0 HA ASP A 87 11.404 -1.629 -9.104 1.00 3.44 H new ATOM 0 HB2 ASP A 87 11.300 -2.987 -11.831 1.00 70.10 H new ATOM 0 HB3 ASP A 87 11.836 -1.340 -11.563 1.00 70.10 H new ATOM 1481 N GLU A 88 8.507 -2.359 -10.349 1.00 41.00 N ATOM 1482 CA GLU A 88 7.160 -1.815 -10.551 1.00 44.30 C ATOM 1483 C GLU A 88 6.689 -1.051 -9.306 1.00 14.52 C ATOM 1484 O GLU A 88 6.342 0.129 -9.379 1.00 53.42 O ATOM 1485 CB GLU A 88 6.173 -2.945 -10.876 1.00 73.52 C ATOM 1486 CG GLU A 88 6.531 -3.739 -12.126 1.00 71.30 C ATOM 1487 CD GLU A 88 6.431 -2.919 -13.402 1.00 10.42 C ATOM 1488 OE1 GLU A 88 7.431 -2.279 -13.783 1.00 2.43 O ATOM 1489 OE2 GLU A 88 5.346 -2.911 -14.023 1.00 23.31 O ATOM 0 H GLU A 88 8.560 -3.377 -10.377 1.00 41.00 H new ATOM 0 HA GLU A 88 7.196 -1.121 -11.391 1.00 44.30 H new ATOM 0 HB2 GLU A 88 6.124 -3.626 -10.027 1.00 73.52 H new ATOM 0 HB3 GLU A 88 5.177 -2.519 -11.001 1.00 73.52 H new ATOM 0 HG2 GLU A 88 7.546 -4.123 -12.027 1.00 71.30 H new ATOM 0 HG3 GLU A 88 5.870 -4.602 -12.203 1.00 71.30 H new ATOM 1496 N ALA A 89 6.704 -1.731 -8.158 1.00 44.13 N ATOM 1497 CA ALA A 89 6.314 -1.122 -6.883 1.00 32.54 C ATOM 1498 C ALA A 89 7.137 0.143 -6.595 1.00 74.34 C ATOM 1499 O ALA A 89 6.594 1.165 -6.176 1.00 44.14 O ATOM 1500 CB ALA A 89 6.471 -2.131 -5.748 1.00 44.23 C ATOM 0 H ALA A 89 6.984 -2.709 -8.084 1.00 44.13 H new ATOM 0 HA ALA A 89 5.266 -0.829 -6.954 1.00 32.54 H new ATOM 0 HB1 ALA A 89 6.178 -1.667 -4.806 1.00 44.23 H new ATOM 0 HB2 ALA A 89 5.836 -2.996 -5.940 1.00 44.23 H new ATOM 0 HB3 ALA A 89 7.511 -2.451 -5.687 1.00 44.23 H new ATOM 1506 N LYS A 90 8.446 0.065 -6.839 1.00 13.42 N ATOM 1507 CA LYS A 90 9.346 1.215 -6.666 1.00 10.42 C ATOM 1508 C LYS A 90 8.842 2.444 -7.444 1.00 1.14 C ATOM 1509 O LYS A 90 8.799 3.563 -6.915 1.00 63.23 O ATOM 1510 CB LYS A 90 10.762 0.843 -7.129 1.00 55.43 C ATOM 1511 CG LYS A 90 11.357 -0.346 -6.378 1.00 73.31 C ATOM 1512 CD LYS A 90 12.701 -0.787 -6.963 1.00 72.40 C ATOM 1513 CE LYS A 90 13.813 0.224 -6.708 1.00 1.32 C ATOM 1514 NZ LYS A 90 15.099 -0.228 -7.301 1.00 51.10 N ATOM 0 H LYS A 90 8.912 -0.784 -7.158 1.00 13.42 H new ATOM 0 HA LYS A 90 9.366 1.474 -5.607 1.00 10.42 H new ATOM 0 HB2 LYS A 90 10.739 0.615 -8.195 1.00 55.43 H new ATOM 0 HB3 LYS A 90 11.415 1.706 -7.002 1.00 55.43 H new ATOM 0 HG2 LYS A 90 11.489 -0.081 -5.329 1.00 73.31 H new ATOM 0 HG3 LYS A 90 10.657 -1.181 -6.411 1.00 73.31 H new ATOM 0 HD2 LYS A 90 12.983 -1.748 -6.532 1.00 72.40 H new ATOM 0 HD3 LYS A 90 12.593 -0.939 -8.037 1.00 72.40 H new ATOM 0 HE2 LYS A 90 13.534 1.189 -7.131 1.00 1.32 H new ATOM 0 HE3 LYS A 90 13.936 0.370 -5.635 1.00 1.32 H new ATOM 0 HZ1 LYS A 90 15.861 0.418 -7.012 1.00 51.10 H new ATOM 0 HZ2 LYS A 90 15.316 -1.189 -6.969 1.00 51.10 H new ATOM 0 HZ3 LYS A 90 15.022 -0.229 -8.338 1.00 51.10 H new ATOM 1528 N ARG A 91 8.454 2.227 -8.701 1.00 32.04 N ATOM 1529 CA ARG A 91 7.903 3.302 -9.528 1.00 62.41 C ATOM 1530 C ARG A 91 6.599 3.844 -8.930 1.00 20.43 C ATOM 1531 O ARG A 91 6.459 5.048 -8.738 1.00 22.43 O ATOM 1532 CB ARG A 91 7.654 2.820 -10.964 1.00 71.34 C ATOM 1533 CG ARG A 91 7.029 3.889 -11.854 1.00 31.44 C ATOM 1534 CD ARG A 91 6.668 3.357 -13.235 1.00 12.42 C ATOM 1535 NE ARG A 91 5.942 4.352 -14.019 1.00 11.11 N ATOM 1536 CZ ARG A 91 5.551 4.173 -15.252 1.00 24.33 C ATOM 1537 NH1 ARG A 91 5.845 3.085 -15.889 1.00 13.34 N ATOM 1538 NH2 ARG A 91 4.877 5.096 -15.853 1.00 12.10 N ATOM 0 H ARG A 91 8.510 1.322 -9.167 1.00 32.04 H new ATOM 0 HA ARG A 91 8.639 4.106 -9.550 1.00 62.41 H new ATOM 0 HB2 ARG A 91 8.599 2.498 -11.402 1.00 71.34 H new ATOM 0 HB3 ARG A 91 7.000 1.948 -10.940 1.00 71.34 H new ATOM 0 HG2 ARG A 91 6.133 4.280 -11.373 1.00 31.44 H new ATOM 0 HG3 ARG A 91 7.724 4.722 -11.959 1.00 31.44 H new ATOM 0 HD2 ARG A 91 7.576 3.068 -13.764 1.00 12.42 H new ATOM 0 HD3 ARG A 91 6.059 2.459 -13.132 1.00 12.42 H new ATOM 0 HE ARG A 91 5.726 5.245 -13.575 1.00 11.11 H new ATOM 0 HH11 ARG A 91 6.388 2.355 -15.428 1.00 13.34 H new ATOM 0 HH12 ARG A 91 5.533 2.958 -16.852 1.00 13.34 H new ATOM 0 HH21 ARG A 91 4.651 5.963 -15.365 1.00 12.10 H new ATOM 0 HH22 ARG A 91 4.570 4.959 -16.816 1.00 12.10 H new ATOM 1552 N TRP A 92 5.652 2.950 -8.629 1.00 53.52 N ATOM 1553 CA TRP A 92 4.353 3.357 -8.070 1.00 73.11 C ATOM 1554 C TRP A 92 4.517 4.200 -6.796 1.00 54.42 C ATOM 1555 O TRP A 92 3.753 5.141 -6.565 1.00 3.31 O ATOM 1556 CB TRP A 92 3.469 2.134 -7.787 1.00 20.13 C ATOM 1557 CG TRP A 92 2.967 1.454 -9.031 1.00 24.33 C ATOM 1558 CD1 TRP A 92 3.327 0.226 -9.500 1.00 45.21 C ATOM 1559 CD2 TRP A 92 2.020 1.978 -9.971 1.00 14.25 C ATOM 1560 NE1 TRP A 92 2.654 -0.051 -10.666 1.00 74.31 N ATOM 1561 CE2 TRP A 92 1.849 1.010 -10.978 1.00 10.22 C ATOM 1562 CE3 TRP A 92 1.298 3.173 -10.056 1.00 65.43 C ATOM 1563 CZ2 TRP A 92 0.985 1.198 -12.055 1.00 74.25 C ATOM 1564 CZ3 TRP A 92 0.442 3.362 -11.125 1.00 4.21 C ATOM 1565 CH2 TRP A 92 0.291 2.379 -12.113 1.00 74.13 C ATOM 0 H TRP A 92 5.757 1.944 -8.761 1.00 53.52 H new ATOM 0 HA TRP A 92 3.863 3.978 -8.820 1.00 73.11 H new ATOM 0 HB2 TRP A 92 4.035 1.416 -7.194 1.00 20.13 H new ATOM 0 HB3 TRP A 92 2.616 2.444 -7.183 1.00 20.13 H new ATOM 0 HD1 TRP A 92 4.038 -0.434 -9.025 1.00 45.21 H new ATOM 0 HE1 TRP A 92 2.741 -0.909 -11.211 1.00 74.31 H new ATOM 0 HE3 TRP A 92 1.407 3.935 -9.299 1.00 65.43 H new ATOM 0 HZ2 TRP A 92 0.866 0.441 -12.816 1.00 74.25 H new ATOM 0 HZ3 TRP A 92 -0.119 4.282 -11.200 1.00 4.21 H new ATOM 0 HH2 TRP A 92 -0.385 2.556 -12.936 1.00 74.13 H new ATOM 1576 N ILE A 93 5.513 3.865 -5.975 1.00 1.54 N ATOM 1577 CA ILE A 93 5.827 4.665 -4.785 1.00 22.13 C ATOM 1578 C ILE A 93 6.180 6.109 -5.176 1.00 50.13 C ATOM 1579 O ILE A 93 5.722 7.064 -4.543 1.00 72.50 O ATOM 1580 CB ILE A 93 6.987 4.042 -3.963 1.00 54.24 C ATOM 1581 CG1 ILE A 93 6.571 2.661 -3.428 1.00 41.43 C ATOM 1582 CG2 ILE A 93 7.405 4.965 -2.814 1.00 24.21 C ATOM 1583 CD1 ILE A 93 7.659 1.947 -2.655 1.00 51.20 C ATOM 0 H ILE A 93 6.114 3.052 -6.108 1.00 1.54 H new ATOM 0 HA ILE A 93 4.935 4.673 -4.159 1.00 22.13 H new ATOM 0 HB ILE A 93 7.848 3.919 -4.620 1.00 54.24 H new ATOM 0 HG12 ILE A 93 5.700 2.780 -2.784 1.00 41.43 H new ATOM 0 HG13 ILE A 93 6.265 2.035 -4.266 1.00 41.43 H new ATOM 0 HG21 ILE A 93 8.219 4.504 -2.255 1.00 24.21 H new ATOM 0 HG22 ILE A 93 7.738 5.921 -3.218 1.00 24.21 H new ATOM 0 HG23 ILE A 93 6.556 5.128 -2.151 1.00 24.21 H new ATOM 0 HD11 ILE A 93 7.288 0.981 -2.312 1.00 51.20 H new ATOM 0 HD12 ILE A 93 8.524 1.794 -3.301 1.00 51.20 H new ATOM 0 HD13 ILE A 93 7.950 2.550 -1.795 1.00 51.20 H new ATOM 1595 N LYS A 94 6.985 6.269 -6.227 1.00 43.34 N ATOM 1596 CA LYS A 94 7.302 7.606 -6.746 1.00 24.43 C ATOM 1597 C LYS A 94 6.061 8.272 -7.375 1.00 24.41 C ATOM 1598 O LYS A 94 5.775 9.438 -7.102 1.00 74.44 O ATOM 1599 CB LYS A 94 8.454 7.546 -7.764 1.00 2.00 C ATOM 1600 CG LYS A 94 8.773 8.901 -8.396 1.00 54.12 C ATOM 1601 CD LYS A 94 10.080 8.883 -9.186 1.00 61.43 C ATOM 1602 CE LYS A 94 10.391 10.251 -9.791 1.00 22.13 C ATOM 1603 NZ LYS A 94 11.712 10.270 -10.474 1.00 42.23 N ATOM 0 H LYS A 94 7.426 5.501 -6.733 1.00 43.34 H new ATOM 0 HA LYS A 94 7.622 8.216 -5.902 1.00 24.43 H new ATOM 0 HB2 LYS A 94 9.347 7.164 -7.270 1.00 2.00 H new ATOM 0 HB3 LYS A 94 8.198 6.837 -8.551 1.00 2.00 H new ATOM 0 HG2 LYS A 94 7.956 9.192 -9.057 1.00 54.12 H new ATOM 0 HG3 LYS A 94 8.835 9.658 -7.614 1.00 54.12 H new ATOM 0 HD2 LYS A 94 10.897 8.580 -8.531 1.00 61.43 H new ATOM 0 HD3 LYS A 94 10.015 8.139 -9.980 1.00 61.43 H new ATOM 0 HE2 LYS A 94 9.611 10.518 -10.503 1.00 22.13 H new ATOM 0 HE3 LYS A 94 10.378 11.006 -9.005 1.00 22.13 H new ATOM 0 HZ1 LYS A 94 11.884 11.216 -10.870 1.00 42.23 H new ATOM 0 HZ2 LYS A 94 12.460 10.040 -9.789 1.00 42.23 H new ATOM 0 HZ3 LYS A 94 11.717 9.567 -11.241 1.00 42.23 H new ATOM 1617 N GLU A 95 5.326 7.522 -8.202 1.00 44.21 N ATOM 1618 CA GLU A 95 4.091 8.024 -8.834 1.00 54.03 C ATOM 1619 C GLU A 95 3.139 8.617 -7.783 1.00 12.20 C ATOM 1620 O GLU A 95 2.511 9.657 -7.999 1.00 60.32 O ATOM 1621 CB GLU A 95 3.366 6.892 -9.583 1.00 24.42 C ATOM 1622 CG GLU A 95 4.180 6.223 -10.691 1.00 3.41 C ATOM 1623 CD GLU A 95 4.464 7.129 -11.883 1.00 41.34 C ATOM 1624 OE1 GLU A 95 3.649 8.031 -12.173 1.00 12.53 O ATOM 1625 OE2 GLU A 95 5.487 6.916 -12.565 1.00 74.05 O ATOM 0 H GLU A 95 5.562 6.562 -8.453 1.00 44.21 H new ATOM 0 HA GLU A 95 4.377 8.803 -9.540 1.00 54.03 H new ATOM 0 HB2 GLU A 95 3.070 6.131 -8.861 1.00 24.42 H new ATOM 0 HB3 GLU A 95 2.450 7.293 -10.018 1.00 24.42 H new ATOM 0 HG2 GLU A 95 5.127 5.879 -10.275 1.00 3.41 H new ATOM 0 HG3 GLU A 95 3.645 5.339 -11.038 1.00 3.41 H new ATOM 1632 N PHE A 96 3.033 7.929 -6.651 1.00 20.12 N ATOM 1633 CA PHE A 96 2.195 8.369 -5.531 1.00 4.50 C ATOM 1634 C PHE A 96 2.816 9.574 -4.800 1.00 33.25 C ATOM 1635 O PHE A 96 2.125 10.535 -4.459 1.00 2.03 O ATOM 1636 CB PHE A 96 2.003 7.195 -4.561 1.00 52.34 C ATOM 1637 CG PHE A 96 1.141 7.502 -3.363 1.00 55.34 C ATOM 1638 CD1 PHE A 96 -0.226 7.696 -3.504 1.00 70.04 C ATOM 1639 CD2 PHE A 96 1.697 7.587 -2.094 1.00 12.33 C ATOM 1640 CE1 PHE A 96 -1.017 7.970 -2.404 1.00 25.21 C ATOM 1641 CE2 PHE A 96 0.909 7.859 -0.993 1.00 44.40 C ATOM 1642 CZ PHE A 96 -0.448 8.051 -1.149 1.00 34.42 C ATOM 0 H PHE A 96 3.523 7.051 -6.480 1.00 20.12 H new ATOM 0 HA PHE A 96 1.229 8.690 -5.921 1.00 4.50 H new ATOM 0 HB2 PHE A 96 1.561 6.360 -5.105 1.00 52.34 H new ATOM 0 HB3 PHE A 96 2.982 6.866 -4.212 1.00 52.34 H new ATOM 0 HD1 PHE A 96 -0.676 7.632 -4.483 1.00 70.04 H new ATOM 0 HD2 PHE A 96 2.759 7.439 -1.966 1.00 12.33 H new ATOM 0 HE1 PHE A 96 -2.079 8.121 -2.526 1.00 25.21 H new ATOM 0 HE2 PHE A 96 1.355 7.921 -0.011 1.00 44.40 H new ATOM 0 HZ PHE A 96 -1.065 8.265 -0.289 1.00 34.42 H new ATOM 1652 N SER A 97 4.126 9.516 -4.573 1.00 0.42 N ATOM 1653 CA SER A 97 4.852 10.605 -3.894 1.00 5.35 C ATOM 1654 C SER A 97 4.720 11.939 -4.650 1.00 34.31 C ATOM 1655 O SER A 97 4.691 13.012 -4.039 1.00 70.41 O ATOM 1656 CB SER A 97 6.338 10.244 -3.748 1.00 15.00 C ATOM 1657 OG SER A 97 7.073 11.293 -3.133 1.00 72.41 O ATOM 0 H SER A 97 4.714 8.729 -4.847 1.00 0.42 H new ATOM 0 HA SER A 97 4.404 10.728 -2.908 1.00 5.35 H new ATOM 0 HB2 SER A 97 6.436 9.335 -3.155 1.00 15.00 H new ATOM 0 HB3 SER A 97 6.760 10.031 -4.730 1.00 15.00 H new ATOM 0 HG SER A 97 8.014 11.030 -3.054 1.00 72.41 H new ATOM 1663 N GLU A 98 4.626 11.865 -5.978 1.00 31.02 N ATOM 1664 CA GLU A 98 4.522 13.065 -6.823 1.00 71.13 C ATOM 1665 C GLU A 98 3.261 13.898 -6.518 1.00 61.23 C ATOM 1666 O GLU A 98 3.206 15.085 -6.861 1.00 63.45 O ATOM 1667 CB GLU A 98 4.546 12.678 -8.310 1.00 74.13 C ATOM 1668 CG GLU A 98 5.869 12.075 -8.783 1.00 72.13 C ATOM 1669 CD GLU A 98 7.050 13.020 -8.608 1.00 32.25 C ATOM 1670 OE1 GLU A 98 7.220 13.930 -9.447 1.00 5.23 O ATOM 1671 OE2 GLU A 98 7.806 12.869 -7.627 1.00 20.03 O ATOM 0 H GLU A 98 4.619 10.987 -6.497 1.00 31.02 H new ATOM 0 HA GLU A 98 5.386 13.688 -6.592 1.00 71.13 H new ATOM 0 HB2 GLU A 98 3.746 11.963 -8.500 1.00 74.13 H new ATOM 0 HB3 GLU A 98 4.330 13.564 -8.907 1.00 74.13 H new ATOM 0 HG2 GLU A 98 6.061 11.156 -8.230 1.00 72.13 H new ATOM 0 HG3 GLU A 98 5.782 11.802 -9.835 1.00 72.13 H new ATOM 1678 N GLU A 99 2.251 13.287 -5.881 1.00 40.33 N ATOM 1679 CA GLU A 99 1.016 14.008 -5.520 1.00 63.11 C ATOM 1680 C GLU A 99 1.291 15.149 -4.527 1.00 25.52 C ATOM 1681 O GLU A 99 0.643 16.199 -4.576 1.00 11.05 O ATOM 1682 CB GLU A 99 -0.035 13.057 -4.912 1.00 54.53 C ATOM 1683 CG GLU A 99 -0.570 11.998 -5.873 1.00 70.23 C ATOM 1684 CD GLU A 99 -1.878 11.376 -5.390 1.00 52.30 C ATOM 1685 OE1 GLU A 99 -2.956 11.923 -5.715 1.00 35.23 O ATOM 1686 OE2 GLU A 99 -1.848 10.335 -4.699 1.00 51.32 O ATOM 0 H GLU A 99 2.262 12.305 -5.606 1.00 40.33 H new ATOM 0 HA GLU A 99 0.626 14.431 -6.446 1.00 63.11 H new ATOM 0 HB2 GLU A 99 0.404 12.556 -4.049 1.00 54.53 H new ATOM 0 HB3 GLU A 99 -0.872 13.650 -4.544 1.00 54.53 H new ATOM 0 HG2 GLU A 99 -0.726 12.448 -6.854 1.00 70.23 H new ATOM 0 HG3 GLU A 99 0.177 11.214 -5.997 1.00 70.23 H new ATOM 1693 N GLY A 100 2.241 14.935 -3.618 1.00 51.44 N ATOM 1694 CA GLY A 100 2.542 15.934 -2.593 1.00 12.45 C ATOM 1695 C GLY A 100 1.518 15.947 -1.458 1.00 75.23 C ATOM 1696 O GLY A 100 1.878 15.906 -0.279 1.00 51.24 O ATOM 0 H GLY A 100 2.810 14.090 -3.569 1.00 51.44 H new ATOM 0 HA2 GLY A 100 3.532 15.738 -2.181 1.00 12.45 H new ATOM 0 HA3 GLY A 100 2.579 16.921 -3.054 1.00 12.45 H new ATOM 1700 N GLY A 101 0.236 16.027 -1.811 1.00 15.15 N ATOM 1701 CA GLY A 101 -0.824 15.955 -0.814 1.00 72.32 C ATOM 1702 C GLY A 101 -1.912 17.010 -1.000 1.00 23.31 C ATOM 1703 O GLY A 101 -2.710 16.929 -1.931 1.00 41.14 O ATOM 0 H GLY A 101 -0.089 16.141 -2.771 1.00 15.15 H new ATOM 0 HA2 GLY A 101 -1.279 14.965 -0.851 1.00 72.32 H new ATOM 0 HA3 GLY A 101 -0.386 16.068 0.178 1.00 72.32 H new ATOM 1707 N SER A 102 -1.933 18.009 -0.117 1.00 12.15 N ATOM 1708 CA SER A 102 -2.989 19.037 -0.122 1.00 40.34 C ATOM 1709 C SER A 102 -2.526 20.329 -0.810 1.00 4.23 C ATOM 1710 O SER A 102 -3.169 21.372 -0.685 1.00 34.23 O ATOM 1711 CB SER A 102 -3.425 19.351 1.319 1.00 4.35 C ATOM 1712 OG SER A 102 -2.335 19.835 2.095 1.00 12.33 O ATOM 0 H SER A 102 -1.232 18.133 0.614 1.00 12.15 H new ATOM 0 HA SER A 102 -3.832 18.638 -0.687 1.00 40.34 H new ATOM 0 HB2 SER A 102 -4.223 20.093 1.306 1.00 4.35 H new ATOM 0 HB3 SER A 102 -3.833 18.452 1.782 1.00 4.35 H new ATOM 0 HG SER A 102 -2.642 20.028 3.006 1.00 12.33 H new ATOM 1718 N LEU A 103 -1.420 20.251 -1.545 1.00 73.30 N ATOM 1719 CA LEU A 103 -0.875 21.414 -2.259 1.00 30.31 C ATOM 1720 C LEU A 103 -1.867 21.947 -3.306 1.00 22.24 C ATOM 1721 O LEU A 103 -2.147 23.149 -3.365 1.00 50.15 O ATOM 1722 CB LEU A 103 0.453 21.040 -2.932 1.00 13.12 C ATOM 1723 CG LEU A 103 1.554 20.554 -1.975 1.00 43.22 C ATOM 1724 CD1 LEU A 103 2.819 20.186 -2.747 1.00 24.01 C ATOM 1725 CD2 LEU A 103 1.858 21.613 -0.911 1.00 35.34 C ATOM 0 H LEU A 103 -0.879 19.395 -1.665 1.00 73.30 H new ATOM 0 HA LEU A 103 -0.701 22.206 -1.530 1.00 30.31 H new ATOM 0 HB2 LEU A 103 0.262 20.259 -3.668 1.00 13.12 H new ATOM 0 HB3 LEU A 103 0.824 21.908 -3.477 1.00 13.12 H new ATOM 0 HG LEU A 103 1.191 19.659 -1.469 1.00 43.22 H new ATOM 0 HD11 LEU A 103 3.584 19.845 -2.050 1.00 24.01 H new ATOM 0 HD12 LEU A 103 2.594 19.390 -3.456 1.00 24.01 H new ATOM 0 HD13 LEU A 103 3.183 21.060 -3.286 1.00 24.01 H new ATOM 0 HD21 LEU A 103 2.640 21.246 -0.246 1.00 35.34 H new ATOM 0 HD22 LEU A 103 2.194 22.530 -1.396 1.00 35.34 H new ATOM 0 HD23 LEU A 103 0.957 21.818 -0.333 1.00 35.34 H new ATOM 1737 N GLU A 104 -2.397 21.047 -4.130 1.00 53.24 N ATOM 1738 CA GLU A 104 -3.401 21.410 -5.133 1.00 65.22 C ATOM 1739 C GLU A 104 -4.819 21.288 -4.560 1.00 13.21 C ATOM 1740 O GLU A 104 -5.424 20.217 -4.586 1.00 30.53 O ATOM 1741 CB GLU A 104 -3.256 20.527 -6.387 1.00 20.23 C ATOM 1742 CG GLU A 104 -1.923 20.694 -7.112 1.00 73.33 C ATOM 1743 CD GLU A 104 -1.733 22.094 -7.675 1.00 53.20 C ATOM 1744 OE1 GLU A 104 -1.274 22.986 -6.933 1.00 11.51 O ATOM 1745 OE2 GLU A 104 -2.050 22.314 -8.864 1.00 62.20 O ATOM 0 H GLU A 104 -2.149 20.058 -4.125 1.00 53.24 H new ATOM 0 HA GLU A 104 -3.234 22.450 -5.415 1.00 65.22 H new ATOM 0 HB2 GLU A 104 -3.373 19.482 -6.099 1.00 20.23 H new ATOM 0 HB3 GLU A 104 -4.066 20.760 -7.078 1.00 20.23 H new ATOM 0 HG2 GLU A 104 -1.109 20.470 -6.423 1.00 73.33 H new ATOM 0 HG3 GLU A 104 -1.862 19.969 -7.924 1.00 73.33 H new ATOM 1752 N HIS A 105 -5.336 22.391 -4.021 1.00 32.22 N ATOM 1753 CA HIS A 105 -6.688 22.404 -3.454 1.00 53.41 C ATOM 1754 C HIS A 105 -7.757 22.441 -4.555 1.00 11.43 C ATOM 1755 O HIS A 105 -7.645 23.188 -5.527 1.00 63.50 O ATOM 1756 CB HIS A 105 -6.877 23.599 -2.511 1.00 23.41 C ATOM 1757 CG HIS A 105 -6.039 23.528 -1.272 1.00 74.14 C ATOM 1758 ND1 HIS A 105 -6.456 22.896 -0.118 1.00 70.43 N ATOM 1759 CD2 HIS A 105 -4.805 24.014 -1.002 1.00 1.22 C ATOM 1760 CE1 HIS A 105 -5.519 22.997 0.801 1.00 75.42 C ATOM 1761 NE2 HIS A 105 -4.508 23.668 0.293 1.00 55.33 N ATOM 0 H HIS A 105 -4.845 23.283 -3.964 1.00 32.22 H new ATOM 0 HA HIS A 105 -6.807 21.481 -2.886 1.00 53.41 H new ATOM 0 HB2 HIS A 105 -6.637 24.516 -3.049 1.00 23.41 H new ATOM 0 HB3 HIS A 105 -7.927 23.662 -2.225 1.00 23.41 H new ATOM 0 HD2 HIS A 105 -4.173 24.570 -1.678 1.00 1.22 H new ATOM 0 HE1 HIS A 105 -5.571 22.597 1.803 1.00 75.42 H new ATOM 0 HE2 HIS A 105 -3.642 23.895 0.783 1.00 55.33 H new ATOM 1770 N HIS A 106 -8.791 21.629 -4.394 1.00 14.34 N ATOM 1771 CA HIS A 106 -9.892 21.571 -5.352 1.00 22.44 C ATOM 1772 C HIS A 106 -11.170 22.150 -4.737 1.00 31.14 C ATOM 1773 O HIS A 106 -11.567 21.759 -3.643 1.00 44.12 O ATOM 1774 CB HIS A 106 -10.126 20.120 -5.793 1.00 61.00 C ATOM 1775 CG HIS A 106 -8.918 19.491 -6.417 1.00 21.01 C ATOM 1776 ND1 HIS A 106 -8.744 19.377 -7.780 1.00 35.40 N ATOM 1777 CD2 HIS A 106 -7.811 18.946 -5.856 1.00 34.54 C ATOM 1778 CE1 HIS A 106 -7.588 18.796 -8.030 1.00 40.42 C ATOM 1779 NE2 HIS A 106 -7.004 18.524 -6.883 1.00 53.30 N ATOM 0 H HIS A 106 -8.893 20.994 -3.602 1.00 14.34 H new ATOM 0 HA HIS A 106 -9.628 22.169 -6.224 1.00 22.44 H new ATOM 0 HB2 HIS A 106 -10.430 19.529 -4.929 1.00 61.00 H new ATOM 0 HB3 HIS A 106 -10.951 20.092 -6.505 1.00 61.00 H new ATOM 0 HD2 HIS A 106 -7.603 18.860 -4.800 1.00 34.54 H new ATOM 0 HE1 HIS A 106 -7.188 18.580 -9.010 1.00 40.42 H new ATOM 0 HE2 HIS A 106 -6.096 18.072 -6.774 1.00 53.30 H new ATOM 1788 N HIS A 107 -11.821 23.074 -5.441 1.00 22.10 N ATOM 1789 CA HIS A 107 -13.049 23.707 -4.930 1.00 21.35 C ATOM 1790 C HIS A 107 -14.274 22.783 -5.097 1.00 32.11 C ATOM 1791 O HIS A 107 -15.366 23.234 -5.454 1.00 44.54 O ATOM 1792 CB HIS A 107 -13.287 25.053 -5.638 1.00 23.24 C ATOM 1793 CG HIS A 107 -13.555 24.933 -7.112 1.00 32.53 C ATOM 1794 ND1 HIS A 107 -14.824 24.935 -7.647 1.00 34.05 N ATOM 1795 CD2 HIS A 107 -12.710 24.802 -8.162 1.00 63.33 C ATOM 1796 CE1 HIS A 107 -14.748 24.808 -8.957 1.00 11.14 C ATOM 1797 NE2 HIS A 107 -13.479 24.726 -9.295 1.00 10.40 N ATOM 0 H HIS A 107 -11.527 23.403 -6.360 1.00 22.10 H new ATOM 0 HA HIS A 107 -12.915 23.887 -3.863 1.00 21.35 H new ATOM 0 HB2 HIS A 107 -14.131 25.555 -5.166 1.00 23.24 H new ATOM 0 HB3 HIS A 107 -12.414 25.689 -5.489 1.00 23.24 H new ATOM 0 HD2 HIS A 107 -11.632 24.764 -8.116 1.00 63.33 H new ATOM 0 HE1 HIS A 107 -15.586 24.777 -9.638 1.00 11.14 H new ATOM 0 HE2 HIS A 107 -13.125 24.623 -10.246 1.00 10.40 H new ATOM 1806 N HIS A 108 -14.091 21.496 -4.799 1.00 31.13 N ATOM 1807 CA HIS A 108 -15.147 20.492 -4.977 1.00 3.43 C ATOM 1808 C HIS A 108 -16.350 20.754 -4.056 1.00 53.34 C ATOM 1809 O HIS A 108 -16.188 21.042 -2.871 1.00 75.52 O ATOM 1810 CB HIS A 108 -14.592 19.075 -4.737 1.00 0.10 C ATOM 1811 CG HIS A 108 -13.957 18.874 -3.388 1.00 73.13 C ATOM 1812 ND1 HIS A 108 -14.624 18.334 -2.312 1.00 23.52 N ATOM 1813 CD2 HIS A 108 -12.701 19.134 -2.948 1.00 25.42 C ATOM 1814 CE1 HIS A 108 -13.813 18.276 -1.275 1.00 20.01 C ATOM 1815 NE2 HIS A 108 -12.641 18.754 -1.631 1.00 34.21 N ATOM 0 H HIS A 108 -13.217 21.120 -4.431 1.00 31.13 H new ATOM 0 HA HIS A 108 -15.496 20.569 -6.007 1.00 3.43 H new ATOM 0 HB2 HIS A 108 -15.403 18.356 -4.853 1.00 0.10 H new ATOM 0 HB3 HIS A 108 -13.855 18.852 -5.508 1.00 0.10 H new ATOM 0 HD1 HIS A 108 -15.596 18.026 -2.317 1.00 23.52 H new ATOM 0 HD2 HIS A 108 -11.896 19.561 -3.528 1.00 25.42 H new ATOM 0 HE1 HIS A 108 -14.068 17.899 -0.296 1.00 20.01 H new ATOM 1824 N HIS A 109 -17.552 20.649 -4.612 1.00 53.11 N ATOM 1825 CA HIS A 109 -18.785 20.839 -3.837 1.00 73.33 C ATOM 1826 C HIS A 109 -19.070 19.628 -2.935 1.00 50.31 C ATOM 1827 O HIS A 109 -19.714 19.753 -1.891 1.00 63.32 O ATOM 1828 CB HIS A 109 -19.967 21.093 -4.780 1.00 11.30 C ATOM 1829 CG HIS A 109 -19.882 22.402 -5.508 1.00 3.41 C ATOM 1830 ND1 HIS A 109 -20.986 23.159 -5.826 1.00 53.33 N ATOM 1831 CD2 HIS A 109 -18.816 23.087 -5.985 1.00 32.43 C ATOM 1832 CE1 HIS A 109 -20.606 24.247 -6.461 1.00 65.11 C ATOM 1833 NE2 HIS A 109 -19.297 24.229 -6.573 1.00 35.24 N ATOM 0 H HIS A 109 -17.705 20.433 -5.597 1.00 53.11 H new ATOM 0 HA HIS A 109 -18.650 21.709 -3.194 1.00 73.33 H new ATOM 0 HB2 HIS A 109 -20.020 20.284 -5.509 1.00 11.30 H new ATOM 0 HB3 HIS A 109 -20.893 21.066 -4.205 1.00 11.30 H new ATOM 0 HD2 HIS A 109 -17.780 22.790 -5.915 1.00 32.43 H new ATOM 0 HE1 HIS A 109 -21.260 25.024 -6.828 1.00 65.11 H new ATOM 0 HE2 HIS A 109 -18.731 24.947 -7.024 1.00 35.24 H new ATOM 1842 N HIS A 110 -18.591 18.459 -3.353 1.00 64.22 N ATOM 1843 CA HIS A 110 -18.712 17.229 -2.559 1.00 71.12 C ATOM 1844 C HIS A 110 -17.413 16.402 -2.627 1.00 51.32 C ATOM 1845 O HIS A 110 -17.205 15.693 -3.635 1.00 38.23 O ATOM 1846 CB HIS A 110 -19.903 16.392 -3.047 1.00 61.44 C ATOM 1847 CG HIS A 110 -20.130 15.155 -2.235 1.00 43.01 C ATOM 1848 ND1 HIS A 110 -19.533 13.947 -2.516 1.00 62.34 N ATOM 1849 CD2 HIS A 110 -20.882 14.950 -1.130 1.00 1.11 C ATOM 1850 CE1 HIS A 110 -19.906 13.056 -1.622 1.00 74.24 C ATOM 1851 NE2 HIS A 110 -20.722 13.636 -0.768 1.00 41.55 N ATOM 1852 OXT HIS A 110 -16.608 16.475 -1.677 1.00 38.23 O ATOM 0 H HIS A 110 -18.111 18.333 -4.244 1.00 64.22 H new ATOM 0 HA HIS A 110 -18.884 17.510 -1.520 1.00 71.12 H new ATOM 0 HB2 HIS A 110 -20.804 17.005 -3.022 1.00 61.44 H new ATOM 0 HB3 HIS A 110 -19.738 16.110 -4.087 1.00 61.44 H new ATOM 0 HD2 HIS A 110 -21.494 15.683 -0.626 1.00 1.11 H new ATOM 0 HE1 HIS A 110 -19.595 12.022 -1.594 1.00 74.24 H new ATOM 0 HE2 HIS A 110 -21.163 13.183 0.032 1.00 41.55 H new TER 1861 HIS A 110