USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 128:sc= 0.00804 USER MOD Set 1.2: A 102 TYR OH : rot -178:sc= 0.584 USER MOD Set 2.1: A 58 SER OG : rot -99:sc= -0.519 USER MOD Set 2.2: A 67 MET CE :methyl -146:sc= -0.785 (180deg=-3.78!) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.265 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -163:sc= 1.41 (180deg=0.171) USER MOD Set 4.1: A 9 THR OG1 : rot 51:sc= 0.479 USER MOD Set 4.2: A 83 GLN : amide:sc= -0.999 K(o=-0.52,f=-2.1) USER MOD Set 5.1: A 8 ASN : amide:sc= 0.133 K(o=0.033,f=-1.7) USER MOD Set 5.2: A 10 ASN : amide:sc= -0.0937 K(o=0.033,f=-0.92) USER MOD Set 5.3: A 61 LYS NZ :NH3+ -175:sc=-0.00679 (180deg=-0.0517) USER MOD Single : A 2 LYS NZ :NH3+ -106:sc= 0.497 (180deg=-1.12) USER MOD Single : A 11 ASN : amide:sc= -0.611 K(o=-0.61,f=-7.1!) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0.524 (180deg=0.395) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 25 GLN : amide:sc= -0.318 K(o=-0.32,f=-4.1!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 33 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0692) USER MOD Single : A 42 MET CE :methyl -129:sc= -0.73 (180deg=-1.02) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc=-0.00678 (180deg=-0.0855) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 0.359 (180deg=0.252) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0641 USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= -1.06 (180deg=-3.03!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 132:sc= 1.29 (180deg=-0.0282) USER MOD Single : A 99 SER OG : rot -33:sc= 0.437 USER MOD Single : A 100 GLN : amide:sc= 0.0447 X(o=0.045,f=-0.2) USER MOD Single : A 106 LYS NZ :NH3+ -171:sc= -0.516 (180deg=-0.88) USER MOD Single : A 108 THR OG1 : rot -11:sc= 0.306 USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 0.67 (180deg=0.652) USER MOD Single : A 121 MET CE :methyl -135:sc= 0 (180deg=-2.25!) USER MOD Single : A 122 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.562 8.123 3.627 1.00 12.13 N ATOM 21 CA LYS A 2 -11.969 6.809 3.359 1.00 42.24 C ATOM 22 C LYS A 2 -10.461 6.801 3.642 1.00 34.52 C ATOM 23 O LYS A 2 -9.784 7.831 3.584 1.00 70.04 O ATOM 24 CB LYS A 2 -12.232 6.359 1.900 1.00 63.03 C ATOM 25 CG LYS A 2 -13.718 6.117 1.553 1.00 24.24 C ATOM 26 CD LYS A 2 -13.907 5.499 0.147 1.00 35.44 C ATOM 27 CE LYS A 2 -13.135 4.178 -0.027 1.00 35.44 C ATOM 28 NZ LYS A 2 -13.527 3.167 0.998 1.00 25.35 N ATOM 0 HA LYS A 2 -12.450 6.102 4.035 1.00 42.24 H new ATOM 0 HB2 LYS A 2 -11.835 7.116 1.224 1.00 63.03 H new ATOM 0 HB3 LYS A 2 -11.676 5.441 1.712 1.00 63.03 H new ATOM 0 HG2 LYS A 2 -14.159 5.455 2.299 1.00 24.24 H new ATOM 0 HG3 LYS A 2 -14.258 7.062 1.606 1.00 24.24 H new ATOM 0 HD2 LYS A 2 -14.968 5.321 -0.028 1.00 35.44 H new ATOM 0 HD3 LYS A 2 -13.574 6.212 -0.607 1.00 35.44 H new ATOM 0 HE2 LYS A 2 -13.322 3.777 -1.023 1.00 35.44 H new ATOM 0 HE3 LYS A 2 -12.065 4.371 0.044 1.00 35.44 H new ATOM 0 HZ1 LYS A 2 -12.768 3.075 1.703 1.00 25.35 H new ATOM 0 HZ2 LYS A 2 -14.402 3.472 1.470 1.00 25.35 H new ATOM 0 HZ3 LYS A 2 -13.684 2.248 0.537 1.00 25.35 H new ATOM 42 N GLU A 3 -9.962 5.594 3.929 1.00 0.33 N ATOM 43 CA GLU A 3 -8.551 5.328 4.237 1.00 55.11 C ATOM 44 C GLU A 3 -7.963 4.468 3.113 1.00 51.50 C ATOM 45 O GLU A 3 -8.695 3.668 2.502 1.00 21.51 O ATOM 46 CB GLU A 3 -8.472 4.589 5.598 1.00 71.44 C ATOM 47 CG GLU A 3 -9.245 5.281 6.742 1.00 33.21 C ATOM 48 CD GLU A 3 -8.565 6.559 7.240 1.00 15.05 C ATOM 49 OE1 GLU A 3 -8.768 7.640 6.652 1.00 23.13 O ATOM 50 OE2 GLU A 3 -7.813 6.487 8.229 1.00 72.55 O ATOM 0 H GLU A 3 -10.541 4.755 3.954 1.00 0.33 H new ATOM 0 HA GLU A 3 -7.982 6.255 4.308 1.00 55.11 H new ATOM 0 HB2 GLU A 3 -8.860 3.578 5.472 1.00 71.44 H new ATOM 0 HB3 GLU A 3 -7.425 4.495 5.887 1.00 71.44 H new ATOM 0 HG2 GLU A 3 -10.251 5.522 6.399 1.00 33.21 H new ATOM 0 HG3 GLU A 3 -9.350 4.585 7.574 1.00 33.21 H new ATOM 57 N LEU A 4 -6.658 4.616 2.841 1.00 33.11 N ATOM 58 CA LEU A 4 -6.004 3.895 1.738 1.00 34.22 C ATOM 59 C LEU A 4 -4.572 3.509 2.147 1.00 24.52 C ATOM 60 O LEU A 4 -3.780 4.378 2.489 1.00 51.32 O ATOM 61 CB LEU A 4 -6.029 4.786 0.440 1.00 32.42 C ATOM 62 CG LEU A 4 -6.498 4.070 -0.870 1.00 50.53 C ATOM 63 CD1 LEU A 4 -5.553 2.914 -1.258 1.00 74.52 C ATOM 64 CD2 LEU A 4 -7.966 3.583 -0.747 1.00 2.51 C ATOM 0 H LEU A 4 -6.035 5.227 3.369 1.00 33.11 H new ATOM 0 HA LEU A 4 -6.543 2.973 1.519 1.00 34.22 H new ATOM 0 HB2 LEU A 4 -6.684 5.638 0.620 1.00 32.42 H new ATOM 0 HB3 LEU A 4 -5.027 5.183 0.276 1.00 32.42 H new ATOM 0 HG LEU A 4 -6.457 4.803 -1.675 1.00 50.53 H new ATOM 0 HD11 LEU A 4 -5.912 2.442 -2.172 1.00 74.52 H new ATOM 0 HD12 LEU A 4 -4.549 3.304 -1.422 1.00 74.52 H new ATOM 0 HD13 LEU A 4 -5.530 2.178 -0.455 1.00 74.52 H new ATOM 0 HD21 LEU A 4 -8.264 3.090 -1.672 1.00 2.51 H new ATOM 0 HD22 LEU A 4 -8.048 2.880 0.082 1.00 2.51 H new ATOM 0 HD23 LEU A 4 -8.619 4.437 -0.565 1.00 2.51 H new ATOM 76 N ILE A 5 -4.259 2.199 2.119 1.00 21.03 N ATOM 77 CA ILE A 5 -2.897 1.688 2.398 1.00 34.54 C ATOM 78 C ILE A 5 -2.357 0.958 1.157 1.00 13.12 C ATOM 79 O ILE A 5 -3.092 0.233 0.480 1.00 73.53 O ATOM 80 CB ILE A 5 -2.861 0.736 3.660 1.00 4.21 C ATOM 81 CG1 ILE A 5 -1.396 0.292 3.999 1.00 32.34 C ATOM 82 CG2 ILE A 5 -3.791 -0.481 3.478 1.00 50.33 C ATOM 83 CD1 ILE A 5 -1.243 -0.588 5.239 1.00 13.13 C ATOM 0 H ILE A 5 -4.936 1.467 1.904 1.00 21.03 H new ATOM 0 HA ILE A 5 -2.260 2.542 2.628 1.00 34.54 H new ATOM 0 HB ILE A 5 -3.236 1.307 4.510 1.00 4.21 H new ATOM 0 HG12 ILE A 5 -0.991 -0.246 3.142 1.00 32.34 H new ATOM 0 HG13 ILE A 5 -0.786 1.186 4.132 1.00 32.34 H new ATOM 0 HG21 ILE A 5 -3.741 -1.113 4.365 1.00 50.33 H new ATOM 0 HG22 ILE A 5 -4.816 -0.138 3.335 1.00 50.33 H new ATOM 0 HG23 ILE A 5 -3.475 -1.053 2.606 1.00 50.33 H new ATOM 0 HD11 ILE A 5 -0.191 -0.837 5.381 1.00 13.13 H new ATOM 0 HD12 ILE A 5 -1.610 -0.051 6.114 1.00 13.13 H new ATOM 0 HD13 ILE A 5 -1.818 -1.505 5.108 1.00 13.13 H new ATOM 95 N LEU A 6 -1.080 1.202 0.843 1.00 22.12 N ATOM 96 CA LEU A 6 -0.359 0.519 -0.235 1.00 33.34 C ATOM 97 C LEU A 6 0.782 -0.276 0.396 1.00 44.54 C ATOM 98 O LEU A 6 1.507 0.251 1.232 1.00 73.11 O ATOM 99 CB LEU A 6 0.237 1.517 -1.266 1.00 42.55 C ATOM 100 CG LEU A 6 -0.746 2.443 -2.052 1.00 54.22 C ATOM 101 CD1 LEU A 6 -1.348 3.562 -1.172 1.00 40.25 C ATOM 102 CD2 LEU A 6 -0.039 3.030 -3.289 1.00 3.11 C ATOM 0 H LEU A 6 -0.511 1.889 1.338 1.00 22.12 H new ATOM 0 HA LEU A 6 -1.059 -0.125 -0.767 1.00 33.34 H new ATOM 0 HB2 LEU A 6 0.946 2.155 -0.739 1.00 42.55 H new ATOM 0 HB3 LEU A 6 0.807 0.941 -1.995 1.00 42.55 H new ATOM 0 HG LEU A 6 -1.585 1.827 -2.376 1.00 54.22 H new ATOM 0 HD11 LEU A 6 -2.023 4.173 -1.772 1.00 40.25 H new ATOM 0 HD12 LEU A 6 -1.900 3.117 -0.345 1.00 40.25 H new ATOM 0 HD13 LEU A 6 -0.546 4.186 -0.778 1.00 40.25 H new ATOM 0 HD21 LEU A 6 -0.731 3.674 -3.832 1.00 3.11 H new ATOM 0 HD22 LEU A 6 0.826 3.612 -2.972 1.00 3.11 H new ATOM 0 HD23 LEU A 6 0.288 2.219 -3.940 1.00 3.11 H new ATOM 114 N ILE A 7 0.913 -1.542 0.007 1.00 33.43 N ATOM 115 CA ILE A 7 2.019 -2.413 0.424 1.00 64.50 C ATOM 116 C ILE A 7 2.901 -2.676 -0.802 1.00 41.01 C ATOM 117 O ILE A 7 2.386 -2.941 -1.889 1.00 13.03 O ATOM 118 CB ILE A 7 1.519 -3.799 1.022 1.00 32.23 C ATOM 119 CG1 ILE A 7 0.814 -3.638 2.412 1.00 11.32 C ATOM 120 CG2 ILE A 7 2.690 -4.803 1.149 1.00 20.03 C ATOM 121 CD1 ILE A 7 -0.519 -2.929 2.400 1.00 14.20 C ATOM 0 H ILE A 7 0.248 -2.002 -0.615 1.00 33.43 H new ATOM 0 HA ILE A 7 2.571 -1.909 1.217 1.00 64.50 H new ATOM 0 HB ILE A 7 0.782 -4.185 0.318 1.00 32.23 H new ATOM 0 HG12 ILE A 7 0.672 -4.629 2.842 1.00 11.32 H new ATOM 0 HG13 ILE A 7 1.486 -3.095 3.077 1.00 11.32 H new ATOM 0 HG21 ILE A 7 2.321 -5.742 1.560 1.00 20.03 H new ATOM 0 HG22 ILE A 7 3.123 -4.983 0.165 1.00 20.03 H new ATOM 0 HG23 ILE A 7 3.452 -4.392 1.811 1.00 20.03 H new ATOM 0 HD11 ILE A 7 -0.912 -2.876 3.415 1.00 14.20 H new ATOM 0 HD12 ILE A 7 -0.391 -1.920 2.007 1.00 14.20 H new ATOM 0 HD13 ILE A 7 -1.218 -3.478 1.769 1.00 14.20 H new ATOM 133 N ASN A 8 4.218 -2.588 -0.618 1.00 60.22 N ATOM 134 CA ASN A 8 5.193 -3.032 -1.606 1.00 12.14 C ATOM 135 C ASN A 8 5.981 -4.175 -0.976 1.00 11.25 C ATOM 136 O ASN A 8 6.743 -3.967 -0.030 1.00 24.33 O ATOM 137 CB ASN A 8 6.123 -1.878 -2.026 1.00 71.33 C ATOM 138 CG ASN A 8 7.108 -2.288 -3.130 1.00 50.03 C ATOM 139 OD1 ASN A 8 8.223 -2.732 -2.858 1.00 70.05 O ATOM 140 ND2 ASN A 8 6.698 -2.157 -4.385 1.00 54.14 N ATOM 0 H ASN A 8 4.638 -2.203 0.228 1.00 60.22 H new ATOM 0 HA ASN A 8 4.692 -3.369 -2.514 1.00 12.14 H new ATOM 0 HB2 ASN A 8 5.521 -1.039 -2.374 1.00 71.33 H new ATOM 0 HB3 ASN A 8 6.681 -1.531 -1.156 1.00 71.33 H new ATOM 0 HD21 ASN A 8 7.312 -2.427 -5.153 1.00 54.14 H new ATOM 0 HD22 ASN A 8 5.768 -1.786 -4.582 1.00 54.14 H new ATOM 147 N THR A 9 5.743 -5.383 -1.467 1.00 41.43 N ATOM 148 CA THR A 9 6.415 -6.592 -1.002 1.00 44.40 C ATOM 149 C THR A 9 7.043 -7.293 -2.208 1.00 23.53 C ATOM 150 O THR A 9 6.355 -7.656 -3.174 1.00 43.10 O ATOM 151 CB THR A 9 5.440 -7.534 -0.204 1.00 32.35 C ATOM 152 OG1 THR A 9 6.015 -8.843 -0.038 1.00 2.30 O ATOM 153 CG2 THR A 9 4.044 -7.637 -0.845 1.00 54.02 C ATOM 0 H THR A 9 5.067 -5.555 -2.211 1.00 41.43 H new ATOM 0 HA THR A 9 7.202 -6.323 -0.297 1.00 44.40 H new ATOM 0 HB THR A 9 5.304 -7.076 0.776 1.00 32.35 H new ATOM 0 HG1 THR A 9 6.922 -8.758 0.324 1.00 2.30 H new ATOM 0 HG21 THR A 9 3.418 -8.301 -0.249 1.00 54.02 H new ATOM 0 HG22 THR A 9 3.588 -6.648 -0.886 1.00 54.02 H new ATOM 0 HG23 THR A 9 4.136 -8.036 -1.855 1.00 54.02 H new ATOM 161 N ASN A 10 8.375 -7.416 -2.158 1.00 15.23 N ATOM 162 CA ASN A 10 9.182 -8.053 -3.215 1.00 30.15 C ATOM 163 C ASN A 10 9.432 -9.539 -2.873 1.00 30.44 C ATOM 164 O ASN A 10 10.235 -10.212 -3.527 1.00 75.24 O ATOM 165 CB ASN A 10 10.512 -7.273 -3.386 1.00 61.11 C ATOM 166 CG ASN A 10 10.311 -5.791 -3.765 1.00 54.23 C ATOM 167 OD1 ASN A 10 10.318 -5.413 -4.940 1.00 63.13 O ATOM 168 ND2 ASN A 10 10.113 -4.942 -2.772 1.00 61.43 N ATOM 0 H ASN A 10 8.932 -7.073 -1.375 1.00 15.23 H new ATOM 0 HA ASN A 10 8.643 -8.022 -4.162 1.00 30.15 H new ATOM 0 HB2 ASN A 10 11.079 -7.329 -2.457 1.00 61.11 H new ATOM 0 HB3 ASN A 10 11.113 -7.758 -4.155 1.00 61.11 H new ATOM 0 HD21 ASN A 10 9.962 -3.953 -2.969 1.00 61.43 H new ATOM 0 HD22 ASN A 10 10.111 -5.276 -1.808 1.00 61.43 H new ATOM 175 N ASN A 11 8.710 -10.030 -1.844 1.00 22.24 N ATOM 176 CA ASN A 11 8.765 -11.426 -1.370 1.00 55.45 C ATOM 177 C ASN A 11 7.452 -12.139 -1.760 1.00 33.52 C ATOM 178 O ASN A 11 6.385 -11.738 -1.294 1.00 3.05 O ATOM 179 CB ASN A 11 8.937 -11.443 0.180 1.00 53.44 C ATOM 180 CG ASN A 11 9.162 -12.844 0.785 1.00 11.40 C ATOM 181 OD1 ASN A 11 8.849 -13.869 0.183 1.00 65.53 O ATOM 182 ND2 ASN A 11 9.666 -12.895 2.007 1.00 0.32 N ATOM 0 H ASN A 11 8.060 -9.454 -1.310 1.00 22.24 H new ATOM 0 HA ASN A 11 9.610 -11.941 -1.827 1.00 55.45 H new ATOM 0 HB2 ASN A 11 9.781 -10.807 0.446 1.00 53.44 H new ATOM 0 HB3 ASN A 11 8.050 -11.003 0.636 1.00 53.44 H new ATOM 0 HD21 ASN A 11 9.801 -13.796 2.466 1.00 0.32 H new ATOM 0 HD22 ASN A 11 9.920 -12.033 2.490 1.00 0.32 H new ATOM 189 N ASP A 12 7.569 -13.217 -2.573 1.00 44.41 N ATOM 190 CA ASP A 12 6.422 -13.991 -3.124 1.00 20.10 C ATOM 191 C ASP A 12 5.486 -14.501 -2.023 1.00 72.33 C ATOM 192 O ASP A 12 4.277 -14.223 -2.038 1.00 32.24 O ATOM 193 CB ASP A 12 6.918 -15.218 -3.942 1.00 63.34 C ATOM 194 CG ASP A 12 7.809 -14.845 -5.130 1.00 1.23 C ATOM 195 OD1 ASP A 12 7.267 -14.524 -6.208 1.00 70.13 O ATOM 196 OD2 ASP A 12 9.052 -14.878 -4.993 1.00 70.12 O ATOM 0 H ASP A 12 8.474 -13.581 -2.871 1.00 44.41 H new ATOM 0 HA ASP A 12 5.875 -13.302 -3.768 1.00 20.10 H new ATOM 0 HB2 ASP A 12 7.470 -15.886 -3.280 1.00 63.34 H new ATOM 0 HB3 ASP A 12 6.054 -15.774 -4.307 1.00 63.34 H new ATOM 201 N GLU A 13 6.072 -15.266 -1.074 1.00 61.14 N ATOM 202 CA GLU A 13 5.310 -15.911 -0.003 1.00 34.54 C ATOM 203 C GLU A 13 4.662 -14.860 0.909 1.00 24.35 C ATOM 204 O GLU A 13 3.558 -15.085 1.402 1.00 65.32 O ATOM 205 CB GLU A 13 6.173 -16.898 0.824 1.00 64.21 C ATOM 206 CG GLU A 13 7.340 -16.264 1.601 1.00 61.13 C ATOM 207 CD GLU A 13 7.990 -17.232 2.599 1.00 10.43 C ATOM 208 OE1 GLU A 13 8.826 -18.064 2.184 1.00 64.34 O ATOM 209 OE2 GLU A 13 7.653 -17.174 3.805 1.00 2.14 O ATOM 0 H GLU A 13 7.075 -15.447 -1.036 1.00 61.14 H new ATOM 0 HA GLU A 13 4.524 -16.497 -0.479 1.00 34.54 H new ATOM 0 HB2 GLU A 13 5.525 -17.415 1.532 1.00 64.21 H new ATOM 0 HB3 GLU A 13 6.576 -17.654 0.150 1.00 64.21 H new ATOM 0 HG2 GLU A 13 8.094 -15.918 0.895 1.00 61.13 H new ATOM 0 HG3 GLU A 13 6.979 -15.386 2.137 1.00 61.13 H new ATOM 216 N LEU A 14 5.331 -13.687 1.088 1.00 24.42 N ATOM 217 CA LEU A 14 4.805 -12.623 1.950 1.00 63.22 C ATOM 218 C LEU A 14 3.566 -11.970 1.322 1.00 14.50 C ATOM 219 O LEU A 14 2.625 -11.681 2.051 1.00 72.31 O ATOM 220 CB LEU A 14 5.855 -11.540 2.290 1.00 23.35 C ATOM 221 CG LEU A 14 5.329 -10.406 3.241 1.00 20.43 C ATOM 222 CD1 LEU A 14 4.830 -10.968 4.593 1.00 1.12 C ATOM 223 CD2 LEU A 14 6.363 -9.296 3.438 1.00 51.25 C ATOM 0 H LEU A 14 6.224 -13.468 0.647 1.00 24.42 H new ATOM 0 HA LEU A 14 4.527 -13.106 2.887 1.00 63.22 H new ATOM 0 HB2 LEU A 14 6.716 -12.019 2.756 1.00 23.35 H new ATOM 0 HB3 LEU A 14 6.206 -11.087 1.363 1.00 23.35 H new ATOM 0 HG LEU A 14 4.469 -9.957 2.744 1.00 20.43 H new ATOM 0 HD11 LEU A 14 4.476 -10.149 5.219 1.00 1.12 H new ATOM 0 HD12 LEU A 14 4.014 -11.669 4.417 1.00 1.12 H new ATOM 0 HD13 LEU A 14 5.648 -11.482 5.097 1.00 1.12 H new ATOM 0 HD21 LEU A 14 5.956 -8.534 4.102 1.00 51.25 H new ATOM 0 HD22 LEU A 14 7.268 -9.715 3.878 1.00 51.25 H new ATOM 0 HD23 LEU A 14 6.603 -8.847 2.474 1.00 51.25 H new ATOM 235 N ILE A 15 3.567 -11.771 -0.029 1.00 3.25 N ATOM 236 CA ILE A 15 2.390 -11.212 -0.747 1.00 53.43 C ATOM 237 C ILE A 15 1.137 -12.019 -0.363 1.00 61.01 C ATOM 238 O ILE A 15 0.127 -11.459 0.050 1.00 2.53 O ATOM 239 CB ILE A 15 2.519 -11.234 -2.327 1.00 33.35 C ATOM 240 CG1 ILE A 15 3.865 -10.622 -2.818 1.00 44.10 C ATOM 241 CG2 ILE A 15 1.316 -10.479 -2.960 1.00 63.23 C ATOM 242 CD1 ILE A 15 4.114 -10.728 -4.316 1.00 43.50 C ATOM 0 H ILE A 15 4.360 -11.987 -0.632 1.00 3.25 H new ATOM 0 HA ILE A 15 2.323 -10.167 -0.445 1.00 53.43 H new ATOM 0 HB ILE A 15 2.509 -12.276 -2.647 1.00 33.35 H new ATOM 0 HG12 ILE A 15 3.893 -9.570 -2.534 1.00 44.10 H new ATOM 0 HG13 ILE A 15 4.683 -11.115 -2.294 1.00 44.10 H new ATOM 0 HG21 ILE A 15 1.407 -10.495 -4.046 1.00 63.23 H new ATOM 0 HG22 ILE A 15 0.386 -10.965 -2.666 1.00 63.23 H new ATOM 0 HG23 ILE A 15 1.311 -9.446 -2.612 1.00 63.23 H new ATOM 0 HD11 ILE A 15 5.075 -10.274 -4.558 1.00 43.50 H new ATOM 0 HD12 ILE A 15 4.124 -11.778 -4.610 1.00 43.50 H new ATOM 0 HD13 ILE A 15 3.321 -10.208 -4.854 1.00 43.50 H new ATOM 254 N LYS A 16 1.297 -13.357 -0.425 1.00 22.41 N ATOM 255 CA LYS A 16 0.245 -14.330 -0.098 1.00 11.12 C ATOM 256 C LYS A 16 -0.231 -14.153 1.360 1.00 41.32 C ATOM 257 O LYS A 16 -1.429 -13.994 1.606 1.00 34.33 O ATOM 258 CB LYS A 16 0.757 -15.781 -0.315 1.00 64.35 C ATOM 259 CG LYS A 16 1.426 -16.023 -1.686 1.00 34.11 C ATOM 260 CD LYS A 16 1.894 -17.487 -1.878 1.00 21.04 C ATOM 261 CE LYS A 16 2.776 -17.674 -3.129 1.00 45.04 C ATOM 262 NZ LYS A 16 2.128 -17.171 -4.368 1.00 72.00 N ATOM 0 H LYS A 16 2.174 -13.794 -0.708 1.00 22.41 H new ATOM 0 HA LYS A 16 -0.599 -14.150 -0.764 1.00 11.12 H new ATOM 0 HB2 LYS A 16 1.471 -16.023 0.472 1.00 64.35 H new ATOM 0 HB3 LYS A 16 -0.081 -16.469 -0.207 1.00 64.35 H new ATOM 0 HG2 LYS A 16 0.723 -15.765 -2.478 1.00 34.11 H new ATOM 0 HG3 LYS A 16 2.282 -15.357 -1.790 1.00 34.11 H new ATOM 0 HD2 LYS A 16 2.451 -17.804 -0.996 1.00 21.04 H new ATOM 0 HD3 LYS A 16 1.021 -18.135 -1.954 1.00 21.04 H new ATOM 0 HE2 LYS A 16 3.723 -17.154 -2.982 1.00 45.04 H new ATOM 0 HE3 LYS A 16 3.009 -18.732 -3.249 1.00 45.04 H new ATOM 0 HZ1 LYS A 16 2.725 -17.397 -5.189 1.00 72.00 H new ATOM 0 HZ2 LYS A 16 1.198 -17.623 -4.482 1.00 72.00 H new ATOM 0 HZ3 LYS A 16 2.006 -16.140 -4.302 1.00 72.00 H new ATOM 276 N LYS A 17 0.749 -14.123 2.292 1.00 11.40 N ATOM 277 CA LYS A 17 0.512 -14.036 3.751 1.00 62.14 C ATOM 278 C LYS A 17 -0.297 -12.781 4.122 1.00 11.13 C ATOM 279 O LYS A 17 -1.263 -12.866 4.897 1.00 14.12 O ATOM 280 CB LYS A 17 1.871 -14.045 4.505 1.00 44.30 C ATOM 281 CG LYS A 17 2.637 -15.382 4.410 1.00 64.44 C ATOM 282 CD LYS A 17 4.099 -15.285 4.909 1.00 60.35 C ATOM 283 CE LYS A 17 4.224 -14.876 6.385 1.00 72.22 C ATOM 284 NZ LYS A 17 5.645 -14.707 6.784 1.00 45.12 N ATOM 0 H LYS A 17 1.739 -14.159 2.049 1.00 11.40 H new ATOM 0 HA LYS A 17 -0.076 -14.904 4.050 1.00 62.14 H new ATOM 0 HB2 LYS A 17 2.500 -13.249 4.107 1.00 44.30 H new ATOM 0 HB3 LYS A 17 1.693 -13.815 5.555 1.00 44.30 H new ATOM 0 HG2 LYS A 17 2.110 -16.137 4.994 1.00 64.44 H new ATOM 0 HG3 LYS A 17 2.635 -15.721 3.374 1.00 64.44 H new ATOM 0 HD2 LYS A 17 4.587 -16.249 4.766 1.00 60.35 H new ATOM 0 HD3 LYS A 17 4.636 -14.562 4.295 1.00 60.35 H new ATOM 0 HE2 LYS A 17 3.685 -13.944 6.552 1.00 72.22 H new ATOM 0 HE3 LYS A 17 3.756 -15.633 7.014 1.00 72.22 H new ATOM 0 HZ1 LYS A 17 5.694 -14.431 7.786 1.00 45.12 H new ATOM 0 HZ2 LYS A 17 6.153 -15.604 6.647 1.00 45.12 H new ATOM 0 HZ3 LYS A 17 6.084 -13.967 6.199 1.00 45.12 H new ATOM 298 N ILE A 18 0.103 -11.636 3.523 1.00 23.11 N ATOM 299 CA ILE A 18 -0.557 -10.340 3.722 1.00 34.41 C ATOM 300 C ILE A 18 -2.020 -10.450 3.304 1.00 61.21 C ATOM 301 O ILE A 18 -2.900 -10.202 4.113 1.00 24.31 O ATOM 302 CB ILE A 18 0.160 -9.181 2.919 1.00 13.43 C ATOM 303 CG1 ILE A 18 1.638 -9.040 3.386 1.00 50.04 C ATOM 304 CG2 ILE A 18 -0.597 -7.829 3.056 1.00 62.40 C ATOM 305 CD1 ILE A 18 2.461 -8.020 2.636 1.00 1.11 C ATOM 0 H ILE A 18 0.898 -11.593 2.886 1.00 23.11 H new ATOM 0 HA ILE A 18 -0.492 -10.084 4.779 1.00 34.41 H new ATOM 0 HB ILE A 18 0.149 -9.449 1.862 1.00 13.43 H new ATOM 0 HG12 ILE A 18 1.643 -8.779 4.444 1.00 50.04 H new ATOM 0 HG13 ILE A 18 2.124 -10.011 3.295 1.00 50.04 H new ATOM 0 HG21 ILE A 18 -0.072 -7.059 2.490 1.00 62.40 H new ATOM 0 HG22 ILE A 18 -1.610 -7.938 2.668 1.00 62.40 H new ATOM 0 HG23 ILE A 18 -0.640 -7.541 4.106 1.00 62.40 H new ATOM 0 HD11 ILE A 18 3.473 -8.001 3.040 1.00 1.11 H new ATOM 0 HD12 ILE A 18 2.496 -8.287 1.580 1.00 1.11 H new ATOM 0 HD13 ILE A 18 2.008 -7.035 2.747 1.00 1.11 H new ATOM 317 N LYS A 19 -2.248 -10.923 2.060 1.00 2.11 N ATOM 318 CA LYS A 19 -3.595 -11.041 1.472 1.00 5.54 C ATOM 319 C LYS A 19 -4.530 -11.903 2.334 1.00 44.10 C ATOM 320 O LYS A 19 -5.704 -11.576 2.473 1.00 70.44 O ATOM 321 CB LYS A 19 -3.518 -11.601 0.030 1.00 33.14 C ATOM 322 CG LYS A 19 -2.699 -10.712 -0.918 1.00 44.02 C ATOM 323 CD LYS A 19 -2.796 -11.125 -2.395 1.00 40.54 C ATOM 324 CE LYS A 19 -2.242 -12.521 -2.701 1.00 12.02 C ATOM 325 NZ LYS A 19 -2.330 -12.814 -4.161 1.00 41.43 N ATOM 0 H LYS A 19 -1.502 -11.233 1.437 1.00 2.11 H new ATOM 0 HA LYS A 19 -4.018 -10.037 1.438 1.00 5.54 H new ATOM 0 HB2 LYS A 19 -3.077 -12.597 0.056 1.00 33.14 H new ATOM 0 HB3 LYS A 19 -4.528 -11.710 -0.366 1.00 33.14 H new ATOM 0 HG2 LYS A 19 -3.037 -9.681 -0.816 1.00 44.02 H new ATOM 0 HG3 LYS A 19 -1.653 -10.737 -0.611 1.00 44.02 H new ATOM 0 HD2 LYS A 19 -3.841 -11.087 -2.702 1.00 40.54 H new ATOM 0 HD3 LYS A 19 -2.259 -10.394 -3.000 1.00 40.54 H new ATOM 0 HE2 LYS A 19 -1.204 -12.586 -2.374 1.00 12.02 H new ATOM 0 HE3 LYS A 19 -2.800 -13.270 -2.140 1.00 12.02 H new ATOM 0 HZ1 LYS A 19 -1.830 -13.702 -4.368 1.00 41.43 H new ATOM 0 HZ2 LYS A 19 -3.328 -12.907 -4.437 1.00 41.43 H new ATOM 0 HZ3 LYS A 19 -1.893 -12.038 -4.698 1.00 41.43 H new ATOM 339 N LYS A 20 -3.975 -12.972 2.939 1.00 62.22 N ATOM 340 CA LYS A 20 -4.739 -13.878 3.812 1.00 24.12 C ATOM 341 C LYS A 20 -5.186 -13.159 5.100 1.00 21.51 C ATOM 342 O LYS A 20 -6.312 -13.371 5.567 1.00 43.24 O ATOM 343 CB LYS A 20 -3.917 -15.151 4.147 1.00 4.43 C ATOM 344 CG LYS A 20 -3.514 -16.014 2.923 1.00 71.11 C ATOM 345 CD LYS A 20 -4.698 -16.408 2.004 1.00 14.44 C ATOM 346 CE LYS A 20 -5.755 -17.278 2.705 1.00 54.23 C ATOM 347 NZ LYS A 20 -5.207 -18.589 3.142 1.00 0.34 N ATOM 0 H LYS A 20 -2.993 -13.228 2.836 1.00 62.22 H new ATOM 0 HA LYS A 20 -5.634 -14.187 3.271 1.00 24.12 H new ATOM 0 HB2 LYS A 20 -3.012 -14.852 4.675 1.00 4.43 H new ATOM 0 HB3 LYS A 20 -4.496 -15.769 4.833 1.00 4.43 H new ATOM 0 HG2 LYS A 20 -2.778 -15.467 2.334 1.00 71.11 H new ATOM 0 HG3 LYS A 20 -3.027 -16.922 3.278 1.00 71.11 H new ATOM 0 HD2 LYS A 20 -5.175 -15.502 1.630 1.00 14.44 H new ATOM 0 HD3 LYS A 20 -4.312 -16.946 1.138 1.00 14.44 H new ATOM 0 HE2 LYS A 20 -6.146 -16.744 3.571 1.00 54.23 H new ATOM 0 HE3 LYS A 20 -6.593 -17.444 2.028 1.00 54.23 H new ATOM 0 HZ1 LYS A 20 -5.971 -19.167 3.548 1.00 0.34 H new ATOM 0 HZ2 LYS A 20 -4.796 -19.083 2.325 1.00 0.34 H new ATOM 0 HZ3 LYS A 20 -4.470 -18.435 3.860 1.00 0.34 H new ATOM 361 N GLU A 21 -4.300 -12.297 5.651 1.00 54.23 N ATOM 362 CA GLU A 21 -4.639 -11.428 6.801 1.00 14.43 C ATOM 363 C GLU A 21 -5.768 -10.449 6.415 1.00 11.44 C ATOM 364 O GLU A 21 -6.752 -10.317 7.132 1.00 11.41 O ATOM 365 CB GLU A 21 -3.397 -10.625 7.286 1.00 12.55 C ATOM 366 CG GLU A 21 -2.193 -11.482 7.713 1.00 32.01 C ATOM 367 CD GLU A 21 -2.505 -12.431 8.881 1.00 61.11 C ATOM 368 OE1 GLU A 21 -2.528 -11.959 10.039 1.00 53.21 O ATOM 369 OE2 GLU A 21 -2.737 -13.644 8.654 1.00 41.34 O ATOM 0 H GLU A 21 -3.343 -12.185 5.316 1.00 54.23 H new ATOM 0 HA GLU A 21 -4.975 -12.070 7.615 1.00 14.43 H new ATOM 0 HB2 GLU A 21 -3.081 -9.955 6.486 1.00 12.55 H new ATOM 0 HB3 GLU A 21 -3.694 -9.999 8.127 1.00 12.55 H new ATOM 0 HG2 GLU A 21 -1.852 -12.068 6.859 1.00 32.01 H new ATOM 0 HG3 GLU A 21 -1.371 -10.825 7.998 1.00 32.01 H new ATOM 376 N VAL A 22 -5.614 -9.821 5.239 1.00 40.45 N ATOM 377 CA VAL A 22 -6.513 -8.764 4.726 1.00 62.44 C ATOM 378 C VAL A 22 -7.946 -9.301 4.491 1.00 33.00 C ATOM 379 O VAL A 22 -8.937 -8.602 4.751 1.00 60.45 O ATOM 380 CB VAL A 22 -5.913 -8.165 3.400 1.00 11.22 C ATOM 381 CG1 VAL A 22 -6.782 -7.041 2.805 1.00 13.43 C ATOM 382 CG2 VAL A 22 -4.480 -7.656 3.640 1.00 22.44 C ATOM 0 H VAL A 22 -4.847 -10.035 4.602 1.00 40.45 H new ATOM 0 HA VAL A 22 -6.586 -7.976 5.476 1.00 62.44 H new ATOM 0 HB VAL A 22 -5.896 -8.975 2.671 1.00 11.22 H new ATOM 0 HG11 VAL A 22 -6.318 -6.667 1.892 1.00 13.43 H new ATOM 0 HG12 VAL A 22 -7.773 -7.431 2.575 1.00 13.43 H new ATOM 0 HG13 VAL A 22 -6.870 -6.229 3.526 1.00 13.43 H new ATOM 0 HG21 VAL A 22 -4.080 -7.245 2.713 1.00 22.44 H new ATOM 0 HG22 VAL A 22 -4.493 -6.880 4.405 1.00 22.44 H new ATOM 0 HG23 VAL A 22 -3.851 -8.482 3.972 1.00 22.44 H new ATOM 392 N GLU A 23 -8.023 -10.563 4.029 1.00 12.40 N ATOM 393 CA GLU A 23 -9.293 -11.295 3.845 1.00 23.24 C ATOM 394 C GLU A 23 -9.968 -11.553 5.207 1.00 41.11 C ATOM 395 O GLU A 23 -11.188 -11.402 5.336 1.00 12.20 O ATOM 396 CB GLU A 23 -9.038 -12.624 3.078 1.00 33.14 C ATOM 397 CG GLU A 23 -8.628 -12.428 1.601 1.00 42.01 C ATOM 398 CD GLU A 23 -8.189 -13.732 0.920 1.00 74.03 C ATOM 399 OE1 GLU A 23 -7.027 -14.147 1.114 1.00 2.10 O ATOM 400 OE2 GLU A 23 -9.000 -14.358 0.195 1.00 14.45 O ATOM 0 H GLU A 23 -7.201 -11.108 3.771 1.00 12.40 H new ATOM 0 HA GLU A 23 -9.972 -10.685 3.249 1.00 23.24 H new ATOM 0 HB2 GLU A 23 -8.255 -13.183 3.591 1.00 33.14 H new ATOM 0 HB3 GLU A 23 -9.941 -13.233 3.116 1.00 33.14 H new ATOM 0 HG2 GLU A 23 -9.467 -12.002 1.051 1.00 42.01 H new ATOM 0 HG3 GLU A 23 -7.813 -11.706 1.549 1.00 42.01 H new ATOM 407 N ASN A 24 -9.145 -11.890 6.226 1.00 14.34 N ATOM 408 CA ASN A 24 -9.611 -12.115 7.617 1.00 64.13 C ATOM 409 C ASN A 24 -10.103 -10.803 8.265 1.00 53.51 C ATOM 410 O ASN A 24 -10.938 -10.834 9.172 1.00 34.02 O ATOM 411 CB ASN A 24 -8.482 -12.737 8.494 1.00 24.11 C ATOM 412 CG ASN A 24 -8.085 -14.155 8.082 1.00 34.21 C ATOM 413 OD1 ASN A 24 -8.891 -14.922 7.561 1.00 21.23 O ATOM 414 ND2 ASN A 24 -6.841 -14.520 8.328 1.00 44.11 N ATOM 0 H ASN A 24 -8.139 -12.014 6.109 1.00 14.34 H new ATOM 0 HA ASN A 24 -10.446 -12.814 7.565 1.00 64.13 H new ATOM 0 HB2 ASN A 24 -7.602 -12.095 8.444 1.00 24.11 H new ATOM 0 HB3 ASN A 24 -8.809 -12.750 9.534 1.00 24.11 H new ATOM 0 HD21 ASN A 24 -6.528 -15.460 8.085 1.00 44.11 H new ATOM 0 HD22 ASN A 24 -6.193 -13.863 8.762 1.00 44.11 H new ATOM 421 N GLN A 25 -9.571 -9.657 7.800 1.00 43.33 N ATOM 422 CA GLN A 25 -9.932 -8.322 8.333 1.00 64.35 C ATOM 423 C GLN A 25 -11.101 -7.698 7.538 1.00 21.25 C ATOM 424 O GLN A 25 -11.646 -6.666 7.945 1.00 64.23 O ATOM 425 CB GLN A 25 -8.690 -7.383 8.331 1.00 74.15 C ATOM 426 CG GLN A 25 -7.428 -7.946 9.037 1.00 63.31 C ATOM 427 CD GLN A 25 -7.548 -8.239 10.543 1.00 23.33 C ATOM 428 OE1 GLN A 25 -8.613 -8.531 11.082 1.00 61.31 O ATOM 429 NE2 GLN A 25 -6.425 -8.201 11.234 1.00 24.40 N ATOM 0 H GLN A 25 -8.882 -9.626 7.048 1.00 43.33 H new ATOM 0 HA GLN A 25 -10.267 -8.447 9.363 1.00 64.35 H new ATOM 0 HB2 GLN A 25 -8.434 -7.150 7.298 1.00 74.15 H new ATOM 0 HB3 GLN A 25 -8.965 -6.444 8.811 1.00 74.15 H new ATOM 0 HG2 GLN A 25 -7.140 -8.869 8.533 1.00 63.31 H new ATOM 0 HG3 GLN A 25 -6.613 -7.237 8.893 1.00 63.31 H new ATOM 0 HE21 GLN A 25 -5.549 -7.957 10.771 1.00 24.40 H new ATOM 0 HE22 GLN A 25 -6.432 -8.416 12.231 1.00 24.40 H new ATOM 438 N GLY A 26 -11.459 -8.326 6.394 1.00 61.42 N ATOM 439 CA GLY A 26 -12.645 -7.940 5.612 1.00 20.34 C ATOM 440 C GLY A 26 -12.414 -6.786 4.635 1.00 32.51 C ATOM 441 O GLY A 26 -13.376 -6.154 4.181 1.00 11.24 O ATOM 0 H GLY A 26 -10.937 -9.106 5.995 1.00 61.42 H new ATOM 0 HA2 GLY A 26 -12.994 -8.808 5.053 1.00 20.34 H new ATOM 0 HA3 GLY A 26 -13.443 -7.662 6.300 1.00 20.34 H new ATOM 445 N TYR A 27 -11.141 -6.507 4.315 1.00 25.32 N ATOM 446 CA TYR A 27 -10.753 -5.444 3.355 1.00 42.12 C ATOM 447 C TYR A 27 -10.725 -6.005 1.924 1.00 52.12 C ATOM 448 O TYR A 27 -10.544 -7.217 1.730 1.00 14.04 O ATOM 449 CB TYR A 27 -9.351 -4.872 3.704 1.00 32.22 C ATOM 450 CG TYR A 27 -9.272 -3.977 4.941 1.00 5.13 C ATOM 451 CD1 TYR A 27 -9.899 -4.325 6.139 1.00 5.22 C ATOM 452 CD2 TYR A 27 -8.563 -2.776 4.908 1.00 54.54 C ATOM 453 CE1 TYR A 27 -9.823 -3.510 7.250 1.00 64.22 C ATOM 454 CE2 TYR A 27 -8.482 -1.965 6.013 1.00 25.23 C ATOM 455 CZ TYR A 27 -9.117 -2.330 7.178 1.00 30.44 C ATOM 456 OH TYR A 27 -9.036 -1.514 8.286 1.00 63.13 O ATOM 0 H TYR A 27 -10.346 -7.008 4.711 1.00 25.32 H new ATOM 0 HA TYR A 27 -11.491 -4.645 3.421 1.00 42.12 H new ATOM 0 HB2 TYR A 27 -8.665 -5.708 3.843 1.00 32.22 H new ATOM 0 HB3 TYR A 27 -8.991 -4.303 2.847 1.00 32.22 H new ATOM 0 HD1 TYR A 27 -10.454 -5.250 6.197 1.00 5.22 H new ATOM 0 HD2 TYR A 27 -8.068 -2.478 3.995 1.00 54.54 H new ATOM 0 HE1 TYR A 27 -10.313 -3.795 8.169 1.00 64.22 H new ATOM 0 HE2 TYR A 27 -7.921 -1.043 5.968 1.00 25.23 H new ATOM 0 HH TYR A 27 -8.501 -0.721 8.070 1.00 63.13 H new ATOM 466 N GLN A 28 -10.875 -5.110 0.930 1.00 4.13 N ATOM 467 CA GLN A 28 -10.785 -5.472 -0.492 1.00 34.43 C ATOM 468 C GLN A 28 -9.309 -5.607 -0.886 1.00 51.32 C ATOM 469 O GLN A 28 -8.561 -4.626 -0.820 1.00 12.21 O ATOM 470 CB GLN A 28 -11.476 -4.402 -1.378 1.00 21.31 C ATOM 471 CG GLN A 28 -12.973 -4.191 -1.076 1.00 64.21 C ATOM 472 CD GLN A 28 -13.678 -3.286 -2.093 1.00 53.23 C ATOM 473 OE1 GLN A 28 -13.082 -2.378 -2.672 1.00 33.15 O ATOM 474 NE2 GLN A 28 -14.950 -3.538 -2.332 1.00 62.02 N ATOM 0 H GLN A 28 -11.061 -4.120 1.092 1.00 4.13 H new ATOM 0 HA GLN A 28 -11.296 -6.422 -0.648 1.00 34.43 H new ATOM 0 HB2 GLN A 28 -10.956 -3.453 -1.251 1.00 21.31 H new ATOM 0 HB3 GLN A 28 -11.366 -4.689 -2.424 1.00 21.31 H new ATOM 0 HG2 GLN A 28 -13.472 -5.160 -1.056 1.00 64.21 H new ATOM 0 HG3 GLN A 28 -13.078 -3.758 -0.081 1.00 64.21 H new ATOM 0 HE21 GLN A 28 -15.421 -4.296 -1.839 1.00 62.02 H new ATOM 0 HE22 GLN A 28 -15.463 -2.975 -3.010 1.00 62.02 H new ATOM 483 N VAL A 29 -8.892 -6.828 -1.257 1.00 50.43 N ATOM 484 CA VAL A 29 -7.497 -7.114 -1.634 1.00 41.34 C ATOM 485 C VAL A 29 -7.257 -6.808 -3.125 1.00 4.32 C ATOM 486 O VAL A 29 -7.874 -7.431 -4.000 1.00 1.02 O ATOM 487 CB VAL A 29 -7.103 -8.617 -1.378 1.00 14.22 C ATOM 488 CG1 VAL A 29 -5.586 -8.812 -1.571 1.00 3.32 C ATOM 489 CG2 VAL A 29 -7.562 -9.113 0.009 1.00 3.04 C ATOM 0 H VAL A 29 -9.507 -7.640 -1.304 1.00 50.43 H new ATOM 0 HA VAL A 29 -6.879 -6.472 -1.006 1.00 41.34 H new ATOM 0 HB VAL A 29 -7.628 -9.226 -2.113 1.00 14.22 H new ATOM 0 HG11 VAL A 29 -5.327 -9.855 -1.391 1.00 3.32 H new ATOM 0 HG12 VAL A 29 -5.311 -8.541 -2.590 1.00 3.32 H new ATOM 0 HG13 VAL A 29 -5.045 -8.178 -0.868 1.00 3.32 H new ATOM 0 HG21 VAL A 29 -7.268 -10.154 0.139 1.00 3.04 H new ATOM 0 HG22 VAL A 29 -7.097 -8.505 0.785 1.00 3.04 H new ATOM 0 HG23 VAL A 29 -8.646 -9.030 0.084 1.00 3.04 H new ATOM 499 N ARG A 30 -6.370 -5.848 -3.406 1.00 30.33 N ATOM 500 CA ARG A 30 -5.863 -5.593 -4.767 1.00 55.54 C ATOM 501 C ARG A 30 -4.486 -6.254 -4.934 1.00 20.34 C ATOM 502 O ARG A 30 -3.579 -5.994 -4.138 1.00 25.42 O ATOM 503 CB ARG A 30 -5.736 -4.061 -5.048 1.00 2.22 C ATOM 504 CG ARG A 30 -6.980 -3.371 -5.646 1.00 22.11 C ATOM 505 CD ARG A 30 -8.252 -3.472 -4.781 1.00 14.41 C ATOM 506 NE ARG A 30 -9.178 -2.361 -5.074 1.00 20.51 N ATOM 507 CZ ARG A 30 -10.519 -2.409 -5.045 1.00 75.43 C ATOM 508 NH1 ARG A 30 -11.167 -3.526 -4.726 1.00 3.33 N ATOM 509 NH2 ARG A 30 -11.209 -1.304 -5.303 1.00 30.33 N ATOM 0 H ARG A 30 -5.981 -5.224 -2.700 1.00 30.33 H new ATOM 0 HA ARG A 30 -6.573 -6.016 -5.478 1.00 55.54 H new ATOM 0 HB2 ARG A 30 -5.484 -3.561 -4.113 1.00 2.22 H new ATOM 0 HB3 ARG A 30 -4.898 -3.906 -5.728 1.00 2.22 H new ATOM 0 HG2 ARG A 30 -6.751 -2.318 -5.809 1.00 22.11 H new ATOM 0 HG3 ARG A 30 -7.186 -3.808 -6.623 1.00 22.11 H new ATOM 0 HD2 ARG A 30 -8.749 -4.424 -4.968 1.00 14.41 H new ATOM 0 HD3 ARG A 30 -7.981 -3.456 -3.725 1.00 14.41 H new ATOM 0 HE ARG A 30 -8.756 -1.466 -5.324 1.00 20.51 H new ATOM 0 HH11 ARG A 30 -10.644 -4.371 -4.496 1.00 3.33 H new ATOM 0 HH12 ARG A 30 -12.187 -3.537 -4.711 1.00 3.33 H new ATOM 0 HH21 ARG A 30 -10.719 -0.436 -5.519 1.00 30.33 H new ATOM 0 HH22 ARG A 30 -12.229 -1.324 -5.285 1.00 30.33 H new ATOM 523 N ASP A 31 -4.356 -7.137 -5.932 1.00 4.31 N ATOM 524 CA ASP A 31 -3.059 -7.444 -6.546 1.00 62.21 C ATOM 525 C ASP A 31 -2.917 -6.519 -7.757 1.00 54.32 C ATOM 526 O ASP A 31 -3.697 -6.613 -8.713 1.00 32.40 O ATOM 527 CB ASP A 31 -2.969 -8.923 -7.023 1.00 21.33 C ATOM 528 CG ASP A 31 -2.838 -9.952 -5.892 1.00 34.14 C ATOM 529 OD1 ASP A 31 -1.696 -10.191 -5.423 1.00 40.42 O ATOM 530 OD2 ASP A 31 -3.863 -10.560 -5.495 1.00 15.10 O ATOM 0 H ASP A 31 -5.139 -7.654 -6.333 1.00 4.31 H new ATOM 0 HA ASP A 31 -2.267 -7.296 -5.812 1.00 62.21 H new ATOM 0 HB2 ASP A 31 -3.858 -9.157 -7.608 1.00 21.33 H new ATOM 0 HB3 ASP A 31 -2.113 -9.025 -7.690 1.00 21.33 H new ATOM 535 N VAL A 32 -1.950 -5.609 -7.691 1.00 72.23 N ATOM 536 CA VAL A 32 -1.590 -4.743 -8.813 1.00 61.04 C ATOM 537 C VAL A 32 -0.151 -5.085 -9.208 1.00 42.52 C ATOM 538 O VAL A 32 0.784 -4.964 -8.403 1.00 2.12 O ATOM 539 CB VAL A 32 -1.728 -3.210 -8.448 1.00 14.14 C ATOM 540 CG1 VAL A 32 -1.284 -2.309 -9.626 1.00 34.23 C ATOM 541 CG2 VAL A 32 -3.177 -2.870 -8.013 1.00 12.31 C ATOM 0 H VAL A 32 -1.390 -5.449 -6.854 1.00 72.23 H new ATOM 0 HA VAL A 32 -2.272 -4.916 -9.645 1.00 61.04 H new ATOM 0 HB VAL A 32 -1.065 -3.011 -7.606 1.00 14.14 H new ATOM 0 HG11 VAL A 32 -1.391 -1.262 -9.343 1.00 34.23 H new ATOM 0 HG12 VAL A 32 -0.241 -2.515 -9.869 1.00 34.23 H new ATOM 0 HG13 VAL A 32 -1.907 -2.515 -10.497 1.00 34.23 H new ATOM 0 HG21 VAL A 32 -3.244 -1.810 -7.768 1.00 12.31 H new ATOM 0 HG22 VAL A 32 -3.864 -3.098 -8.828 1.00 12.31 H new ATOM 0 HG23 VAL A 32 -3.443 -3.463 -7.137 1.00 12.31 H new ATOM 551 N ASN A 33 0.001 -5.553 -10.442 1.00 12.23 N ATOM 552 CA ASN A 33 1.296 -5.886 -11.053 1.00 1.55 C ATOM 553 C ASN A 33 1.518 -4.965 -12.261 1.00 75.23 C ATOM 554 O ASN A 33 2.651 -4.792 -12.723 1.00 3.04 O ATOM 555 CB ASN A 33 1.319 -7.375 -11.521 1.00 10.52 C ATOM 556 CG ASN A 33 0.968 -8.407 -10.437 1.00 52.01 C ATOM 557 OD1 ASN A 33 0.374 -9.448 -10.734 1.00 33.12 O ATOM 558 ND2 ASN A 33 1.343 -8.158 -9.187 1.00 52.42 N ATOM 0 H ASN A 33 -0.789 -5.718 -11.066 1.00 12.23 H new ATOM 0 HA ASN A 33 2.088 -5.746 -10.317 1.00 1.55 H new ATOM 0 HB2 ASN A 33 0.620 -7.490 -12.349 1.00 10.52 H new ATOM 0 HB3 ASN A 33 2.312 -7.602 -11.908 1.00 10.52 H new ATOM 0 HD21 ASN A 33 1.141 -8.834 -8.450 1.00 52.42 H new ATOM 0 HD22 ASN A 33 1.833 -7.291 -8.964 1.00 52.42 H new ATOM 565 N ASP A 34 0.418 -4.356 -12.744 1.00 61.32 N ATOM 566 CA ASP A 34 0.388 -3.565 -13.983 1.00 2.41 C ATOM 567 C ASP A 34 -0.338 -2.219 -13.726 1.00 45.14 C ATOM 568 O ASP A 34 -1.228 -2.141 -12.869 1.00 24.04 O ATOM 569 CB ASP A 34 -0.332 -4.389 -15.088 1.00 24.33 C ATOM 570 CG ASP A 34 -0.150 -3.816 -16.507 1.00 53.12 C ATOM 571 OD1 ASP A 34 -0.820 -2.829 -16.854 1.00 20.44 O ATOM 572 OD2 ASP A 34 0.675 -4.352 -17.285 1.00 63.20 O ATOM 0 H ASP A 34 -0.487 -4.402 -12.275 1.00 61.32 H new ATOM 0 HA ASP A 34 1.402 -3.342 -14.315 1.00 2.41 H new ATOM 0 HB2 ASP A 34 0.043 -5.412 -15.068 1.00 24.33 H new ATOM 0 HB3 ASP A 34 -1.397 -4.435 -14.858 1.00 24.33 H new ATOM 577 N SER A 35 0.032 -1.187 -14.510 1.00 0.35 N ATOM 578 CA SER A 35 -0.479 0.198 -14.365 1.00 71.15 C ATOM 579 C SER A 35 -1.983 0.320 -14.680 1.00 13.11 C ATOM 580 O SER A 35 -2.647 1.254 -14.218 1.00 43.22 O ATOM 581 CB SER A 35 0.337 1.144 -15.277 1.00 54.34 C ATOM 582 OG SER A 35 0.334 0.691 -16.625 1.00 42.40 O ATOM 0 H SER A 35 0.702 -1.289 -15.272 1.00 0.35 H new ATOM 0 HA SER A 35 -0.358 0.483 -13.320 1.00 71.15 H new ATOM 0 HB2 SER A 35 -0.081 2.150 -15.228 1.00 54.34 H new ATOM 0 HB3 SER A 35 1.363 1.207 -14.914 1.00 54.34 H new ATOM 0 HG SER A 35 0.856 1.309 -17.179 1.00 42.40 H new ATOM 588 N ASP A 36 -2.508 -0.645 -15.450 1.00 52.42 N ATOM 589 CA ASP A 36 -3.926 -0.673 -15.857 1.00 20.32 C ATOM 590 C ASP A 36 -4.798 -1.034 -14.652 1.00 15.41 C ATOM 591 O ASP A 36 -5.887 -0.484 -14.470 1.00 40.31 O ATOM 592 CB ASP A 36 -4.163 -1.708 -16.995 1.00 24.25 C ATOM 593 CG ASP A 36 -3.469 -1.374 -18.329 1.00 30.14 C ATOM 594 OD1 ASP A 36 -2.373 -0.776 -18.324 1.00 21.13 O ATOM 595 OD2 ASP A 36 -4.007 -1.740 -19.398 1.00 65.32 O ATOM 0 H ASP A 36 -1.964 -1.429 -15.809 1.00 52.42 H new ATOM 0 HA ASP A 36 -4.194 0.316 -16.229 1.00 20.32 H new ATOM 0 HB2 ASP A 36 -3.817 -2.684 -16.656 1.00 24.25 H new ATOM 0 HB3 ASP A 36 -5.235 -1.794 -17.171 1.00 24.25 H new ATOM 600 N GLU A 37 -4.269 -1.945 -13.816 1.00 20.21 N ATOM 601 CA GLU A 37 -4.997 -2.528 -12.682 1.00 44.02 C ATOM 602 C GLU A 37 -5.271 -1.489 -11.587 1.00 22.41 C ATOM 603 O GLU A 37 -6.346 -1.508 -10.982 1.00 61.02 O ATOM 604 CB GLU A 37 -4.211 -3.729 -12.100 1.00 50.03 C ATOM 605 CG GLU A 37 -3.923 -4.854 -13.113 1.00 44.43 C ATOM 606 CD GLU A 37 -3.274 -6.082 -12.466 1.00 31.31 C ATOM 607 OE1 GLU A 37 -4.003 -6.885 -11.839 1.00 5.53 O ATOM 608 OE2 GLU A 37 -2.038 -6.246 -12.562 1.00 24.15 O ATOM 0 H GLU A 37 -3.317 -2.298 -13.912 1.00 20.21 H new ATOM 0 HA GLU A 37 -5.961 -2.877 -13.053 1.00 44.02 H new ATOM 0 HB2 GLU A 37 -3.264 -3.367 -11.698 1.00 50.03 H new ATOM 0 HB3 GLU A 37 -4.774 -4.145 -11.264 1.00 50.03 H new ATOM 0 HG2 GLU A 37 -4.855 -5.152 -13.593 1.00 44.43 H new ATOM 0 HG3 GLU A 37 -3.268 -4.473 -13.896 1.00 44.43 H new ATOM 615 N LEU A 38 -4.305 -0.573 -11.352 1.00 1.14 N ATOM 616 CA LEU A 38 -4.450 0.462 -10.312 1.00 74.11 C ATOM 617 C LEU A 38 -5.484 1.519 -10.739 1.00 42.50 C ATOM 618 O LEU A 38 -6.384 1.843 -9.977 1.00 34.10 O ATOM 619 CB LEU A 38 -3.068 1.091 -9.931 1.00 51.23 C ATOM 620 CG LEU A 38 -2.289 1.953 -11.009 1.00 2.55 C ATOM 621 CD1 LEU A 38 -2.651 3.462 -10.957 1.00 41.31 C ATOM 622 CD2 LEU A 38 -0.766 1.773 -10.877 1.00 54.41 C ATOM 0 H LEU A 38 -3.425 -0.532 -11.865 1.00 1.14 H new ATOM 0 HA LEU A 38 -4.829 -0.012 -9.406 1.00 74.11 H new ATOM 0 HB2 LEU A 38 -3.225 1.722 -9.056 1.00 51.23 H new ATOM 0 HB3 LEU A 38 -2.411 0.278 -9.623 1.00 51.23 H new ATOM 0 HG LEU A 38 -2.610 1.575 -11.980 1.00 2.55 H new ATOM 0 HD11 LEU A 38 -2.085 3.998 -11.719 1.00 41.31 H new ATOM 0 HD12 LEU A 38 -3.718 3.587 -11.142 1.00 41.31 H new ATOM 0 HD13 LEU A 38 -2.404 3.862 -9.973 1.00 41.31 H new ATOM 0 HD21 LEU A 38 -0.261 2.378 -11.631 1.00 54.41 H new ATOM 0 HD22 LEU A 38 -0.447 2.090 -9.884 1.00 54.41 H new ATOM 0 HD23 LEU A 38 -0.510 0.724 -11.022 1.00 54.41 H new ATOM 634 N LYS A 39 -5.397 1.989 -12.002 1.00 70.32 N ATOM 635 CA LYS A 39 -6.229 3.115 -12.481 1.00 54.44 C ATOM 636 C LYS A 39 -7.706 2.707 -12.615 1.00 72.54 C ATOM 637 O LYS A 39 -8.592 3.546 -12.462 1.00 63.13 O ATOM 638 CB LYS A 39 -5.688 3.685 -13.827 1.00 3.35 C ATOM 639 CG LYS A 39 -5.738 2.708 -15.024 1.00 3.15 C ATOM 640 CD LYS A 39 -5.140 3.307 -16.322 1.00 51.33 C ATOM 641 CE LYS A 39 -3.653 3.672 -16.180 1.00 60.45 C ATOM 642 NZ LYS A 39 -3.091 4.277 -17.418 1.00 25.23 N ATOM 0 H LYS A 39 -4.763 1.609 -12.705 1.00 70.32 H new ATOM 0 HA LYS A 39 -6.168 3.904 -11.732 1.00 54.44 H new ATOM 0 HB2 LYS A 39 -6.261 4.576 -14.082 1.00 3.35 H new ATOM 0 HB3 LYS A 39 -4.655 4.002 -13.680 1.00 3.35 H new ATOM 0 HG2 LYS A 39 -5.195 1.799 -14.766 1.00 3.15 H new ATOM 0 HG3 LYS A 39 -6.773 2.420 -15.207 1.00 3.15 H new ATOM 0 HD2 LYS A 39 -5.257 2.591 -17.135 1.00 51.33 H new ATOM 0 HD3 LYS A 39 -5.703 4.198 -16.599 1.00 51.33 H new ATOM 0 HE2 LYS A 39 -3.532 4.370 -15.352 1.00 60.45 H new ATOM 0 HE3 LYS A 39 -3.085 2.776 -15.928 1.00 60.45 H new ATOM 0 HZ1 LYS A 39 -2.087 4.504 -17.269 1.00 25.23 H new ATOM 0 HZ2 LYS A 39 -3.180 3.603 -18.205 1.00 25.23 H new ATOM 0 HZ3 LYS A 39 -3.612 5.147 -17.647 1.00 25.23 H new ATOM 656 N LYS A 40 -7.955 1.404 -12.876 1.00 54.45 N ATOM 657 CA LYS A 40 -9.317 0.879 -13.069 1.00 33.44 C ATOM 658 C LYS A 40 -10.035 0.637 -11.718 1.00 14.22 C ATOM 659 O LYS A 40 -11.258 0.765 -11.646 1.00 51.34 O ATOM 660 CB LYS A 40 -9.292 -0.402 -13.956 1.00 10.02 C ATOM 661 CG LYS A 40 -8.640 -1.646 -13.329 1.00 2.35 C ATOM 662 CD LYS A 40 -8.555 -2.847 -14.304 1.00 70.25 C ATOM 663 CE LYS A 40 -9.934 -3.358 -14.758 1.00 42.42 C ATOM 664 NZ LYS A 40 -10.764 -3.808 -13.613 1.00 70.33 N ATOM 0 H LYS A 40 -7.224 0.697 -12.957 1.00 54.45 H new ATOM 0 HA LYS A 40 -9.898 1.635 -13.597 1.00 33.44 H new ATOM 0 HB2 LYS A 40 -10.318 -0.652 -14.227 1.00 10.02 H new ATOM 0 HB3 LYS A 40 -8.766 -0.168 -14.882 1.00 10.02 H new ATOM 0 HG2 LYS A 40 -7.636 -1.390 -12.989 1.00 2.35 H new ATOM 0 HG3 LYS A 40 -9.209 -1.941 -12.448 1.00 2.35 H new ATOM 0 HD2 LYS A 40 -7.976 -2.555 -15.180 1.00 70.25 H new ATOM 0 HD3 LYS A 40 -8.014 -3.661 -13.821 1.00 70.25 H new ATOM 0 HE2 LYS A 40 -10.456 -2.566 -15.295 1.00 42.42 H new ATOM 0 HE3 LYS A 40 -9.803 -4.184 -15.457 1.00 42.42 H new ATOM 0 HZ1 LYS A 40 -11.626 -4.268 -13.969 1.00 70.33 H new ATOM 0 HZ2 LYS A 40 -10.223 -4.484 -13.037 1.00 70.33 H new ATOM 0 HZ3 LYS A 40 -11.025 -2.987 -13.030 1.00 70.33 H new ATOM 678 N GLU A 41 -9.272 0.296 -10.646 1.00 12.24 N ATOM 679 CA GLU A 41 -9.847 0.119 -9.283 1.00 53.12 C ATOM 680 C GLU A 41 -9.936 1.466 -8.531 1.00 10.23 C ATOM 681 O GLU A 41 -10.756 1.614 -7.620 1.00 5.43 O ATOM 682 CB GLU A 41 -9.083 -0.974 -8.474 1.00 13.43 C ATOM 683 CG GLU A 41 -7.582 -0.724 -8.180 1.00 30.23 C ATOM 684 CD GLU A 41 -7.285 0.257 -7.022 1.00 43.33 C ATOM 685 OE1 GLU A 41 -8.112 0.355 -6.071 1.00 10.54 O ATOM 686 OE2 GLU A 41 -6.218 0.903 -7.048 1.00 25.43 O ATOM 0 H GLU A 41 -8.265 0.139 -10.697 1.00 12.24 H new ATOM 0 HA GLU A 41 -10.869 -0.243 -9.396 1.00 53.12 H new ATOM 0 HB2 GLU A 41 -9.595 -1.108 -7.521 1.00 13.43 H new ATOM 0 HB3 GLU A 41 -9.168 -1.916 -9.016 1.00 13.43 H new ATOM 0 HG2 GLU A 41 -7.110 -1.680 -7.953 1.00 30.23 H new ATOM 0 HG3 GLU A 41 -7.111 -0.343 -9.086 1.00 30.23 H new ATOM 693 N MET A 42 -9.086 2.440 -8.922 1.00 1.33 N ATOM 694 CA MET A 42 -9.168 3.840 -8.430 1.00 11.34 C ATOM 695 C MET A 42 -10.476 4.516 -8.899 1.00 23.44 C ATOM 696 O MET A 42 -10.910 5.509 -8.310 1.00 22.32 O ATOM 697 CB MET A 42 -7.924 4.667 -8.880 1.00 73.04 C ATOM 698 CG MET A 42 -6.635 4.338 -8.110 1.00 63.41 C ATOM 699 SD MET A 42 -6.692 4.910 -6.399 1.00 11.43 S ATOM 700 CE MET A 42 -5.524 3.804 -5.607 1.00 34.11 C ATOM 0 H MET A 42 -8.326 2.283 -9.584 1.00 1.33 H new ATOM 0 HA MET A 42 -9.175 3.810 -7.340 1.00 11.34 H new ATOM 0 HB2 MET A 42 -7.753 4.495 -9.943 1.00 73.04 H new ATOM 0 HB3 MET A 42 -8.144 5.728 -8.760 1.00 73.04 H new ATOM 0 HG2 MET A 42 -6.471 3.261 -8.125 1.00 63.41 H new ATOM 0 HG3 MET A 42 -5.785 4.797 -8.616 1.00 63.41 H new ATOM 0 HE1 MET A 42 -5.986 3.356 -4.727 1.00 34.11 H new ATOM 0 HE2 MET A 42 -5.236 3.018 -6.305 1.00 34.11 H new ATOM 0 HE3 MET A 42 -4.639 4.364 -5.307 1.00 34.11 H new ATOM 710 N LYS A 43 -11.077 3.973 -9.981 1.00 41.12 N ATOM 711 CA LYS A 43 -12.410 4.379 -10.462 1.00 45.51 C ATOM 712 C LYS A 43 -13.511 3.936 -9.477 1.00 33.10 C ATOM 713 O LYS A 43 -14.456 4.678 -9.246 1.00 23.11 O ATOM 714 CB LYS A 43 -12.682 3.786 -11.864 1.00 54.30 C ATOM 715 CG LYS A 43 -11.672 4.211 -12.940 1.00 51.24 C ATOM 716 CD LYS A 43 -11.958 3.565 -14.315 1.00 63.01 C ATOM 717 CE LYS A 43 -10.875 3.890 -15.354 1.00 42.40 C ATOM 718 NZ LYS A 43 -11.171 3.290 -16.686 1.00 13.53 N ATOM 0 H LYS A 43 -10.647 3.239 -10.544 1.00 41.12 H new ATOM 0 HA LYS A 43 -12.427 5.467 -10.529 1.00 45.51 H new ATOM 0 HB2 LYS A 43 -12.681 2.698 -11.791 1.00 54.30 H new ATOM 0 HB3 LYS A 43 -13.681 4.083 -12.183 1.00 54.30 H new ATOM 0 HG2 LYS A 43 -11.691 5.296 -13.042 1.00 51.24 H new ATOM 0 HG3 LYS A 43 -10.667 3.939 -12.617 1.00 51.24 H new ATOM 0 HD2 LYS A 43 -12.031 2.484 -14.197 1.00 63.01 H new ATOM 0 HD3 LYS A 43 -12.924 3.911 -14.682 1.00 63.01 H new ATOM 0 HE2 LYS A 43 -10.786 4.971 -15.457 1.00 42.40 H new ATOM 0 HE3 LYS A 43 -9.912 3.523 -14.999 1.00 42.40 H new ATOM 0 HZ1 LYS A 43 -10.413 3.536 -17.354 1.00 13.53 H new ATOM 0 HZ2 LYS A 43 -11.230 2.256 -16.595 1.00 13.53 H new ATOM 0 HZ3 LYS A 43 -12.077 3.659 -17.039 1.00 13.53 H new ATOM 732 N LYS A 44 -13.365 2.707 -8.916 1.00 20.13 N ATOM 733 CA LYS A 44 -14.275 2.171 -7.860 1.00 50.33 C ATOM 734 C LYS A 44 -14.321 3.132 -6.657 1.00 5.32 C ATOM 735 O LYS A 44 -15.384 3.382 -6.073 1.00 30.31 O ATOM 736 CB LYS A 44 -13.813 0.764 -7.370 1.00 14.41 C ATOM 737 CG LYS A 44 -13.936 -0.374 -8.405 1.00 13.53 C ATOM 738 CD LYS A 44 -15.407 -0.673 -8.783 1.00 33.21 C ATOM 739 CE LYS A 44 -15.566 -1.959 -9.616 1.00 64.24 C ATOM 740 NZ LYS A 44 -14.813 -1.910 -10.897 1.00 52.34 N ATOM 0 H LYS A 44 -12.620 2.061 -9.178 1.00 20.13 H new ATOM 0 HA LYS A 44 -15.268 2.079 -8.300 1.00 50.33 H new ATOM 0 HB2 LYS A 44 -12.772 0.833 -7.053 1.00 14.41 H new ATOM 0 HB3 LYS A 44 -14.397 0.495 -6.490 1.00 14.41 H new ATOM 0 HG2 LYS A 44 -13.380 -0.106 -9.304 1.00 13.53 H new ATOM 0 HG3 LYS A 44 -13.476 -1.277 -8.004 1.00 13.53 H new ATOM 0 HD2 LYS A 44 -15.999 -0.761 -7.872 1.00 33.21 H new ATOM 0 HD3 LYS A 44 -15.810 0.169 -9.345 1.00 33.21 H new ATOM 0 HE2 LYS A 44 -15.223 -2.811 -9.030 1.00 64.24 H new ATOM 0 HE3 LYS A 44 -16.623 -2.122 -9.827 1.00 64.24 H new ATOM 0 HZ1 LYS A 44 -14.955 -2.799 -11.417 1.00 52.34 H new ATOM 0 HZ2 LYS A 44 -15.157 -1.114 -11.472 1.00 52.34 H new ATOM 0 HZ3 LYS A 44 -13.800 -1.782 -10.700 1.00 52.34 H new ATOM 754 N LEU A 45 -13.130 3.657 -6.323 1.00 5.31 N ATOM 755 CA LEU A 45 -12.934 4.632 -5.250 1.00 63.24 C ATOM 756 C LEU A 45 -13.573 5.984 -5.625 1.00 51.12 C ATOM 757 O LEU A 45 -14.280 6.592 -4.821 1.00 64.13 O ATOM 758 CB LEU A 45 -11.411 4.786 -4.978 1.00 30.31 C ATOM 759 CG LEU A 45 -10.639 3.457 -4.680 1.00 5.04 C ATOM 760 CD1 LEU A 45 -9.149 3.718 -4.394 1.00 41.21 C ATOM 761 CD2 LEU A 45 -11.299 2.667 -3.535 1.00 21.53 C ATOM 0 H LEU A 45 -12.265 3.408 -6.803 1.00 5.31 H new ATOM 0 HA LEU A 45 -13.423 4.281 -4.341 1.00 63.24 H new ATOM 0 HB2 LEU A 45 -10.952 5.265 -5.843 1.00 30.31 H new ATOM 0 HB3 LEU A 45 -11.278 5.460 -4.132 1.00 30.31 H new ATOM 0 HG LEU A 45 -10.695 2.843 -5.579 1.00 5.04 H new ATOM 0 HD11 LEU A 45 -8.646 2.772 -4.192 1.00 41.21 H new ATOM 0 HD12 LEU A 45 -8.690 4.195 -5.260 1.00 41.21 H new ATOM 0 HD13 LEU A 45 -9.054 4.372 -3.527 1.00 41.21 H new ATOM 0 HD21 LEU A 45 -10.738 1.750 -3.355 1.00 21.53 H new ATOM 0 HD22 LEU A 45 -11.304 3.274 -2.630 1.00 21.53 H new ATOM 0 HD23 LEU A 45 -12.324 2.417 -3.809 1.00 21.53 H new ATOM 773 N ALA A 46 -13.344 6.411 -6.880 1.00 22.33 N ATOM 774 CA ALA A 46 -13.836 7.697 -7.408 1.00 54.40 C ATOM 775 C ALA A 46 -15.376 7.744 -7.496 1.00 11.23 C ATOM 776 O ALA A 46 -15.969 8.819 -7.396 1.00 65.22 O ATOM 777 CB ALA A 46 -13.199 7.972 -8.781 1.00 52.10 C ATOM 0 H ALA A 46 -12.809 5.871 -7.560 1.00 22.33 H new ATOM 0 HA ALA A 46 -13.541 8.480 -6.709 1.00 54.40 H new ATOM 0 HB1 ALA A 46 -13.565 8.923 -9.168 1.00 52.10 H new ATOM 0 HB2 ALA A 46 -12.115 8.016 -8.677 1.00 52.10 H new ATOM 0 HB3 ALA A 46 -13.465 7.172 -9.472 1.00 52.10 H new ATOM 783 N GLU A 47 -16.014 6.576 -7.674 1.00 41.14 N ATOM 784 CA GLU A 47 -17.482 6.476 -7.804 1.00 14.13 C ATOM 785 C GLU A 47 -18.173 6.506 -6.430 1.00 22.25 C ATOM 786 O GLU A 47 -19.078 7.317 -6.200 1.00 22.30 O ATOM 787 CB GLU A 47 -17.866 5.181 -8.568 1.00 2.51 C ATOM 788 CG GLU A 47 -17.454 5.167 -10.052 1.00 14.52 C ATOM 789 CD GLU A 47 -18.114 6.282 -10.880 1.00 32.25 C ATOM 790 OE1 GLU A 47 -19.316 6.153 -11.206 1.00 14.32 O ATOM 791 OE2 GLU A 47 -17.442 7.284 -11.211 1.00 41.44 O ATOM 0 H GLU A 47 -15.533 5.678 -7.732 1.00 41.14 H new ATOM 0 HA GLU A 47 -17.826 7.341 -8.370 1.00 14.13 H new ATOM 0 HB2 GLU A 47 -17.404 4.329 -8.068 1.00 2.51 H new ATOM 0 HB3 GLU A 47 -18.945 5.043 -8.503 1.00 2.51 H new ATOM 0 HG2 GLU A 47 -16.371 5.266 -10.122 1.00 14.52 H new ATOM 0 HG3 GLU A 47 -17.714 4.201 -10.485 1.00 14.52 H new ATOM 798 N GLU A 48 -17.739 5.616 -5.526 1.00 44.05 N ATOM 799 CA GLU A 48 -18.383 5.430 -4.208 1.00 63.43 C ATOM 800 C GLU A 48 -17.763 6.367 -3.162 1.00 71.22 C ATOM 801 O GLU A 48 -16.538 6.491 -3.082 1.00 11.45 O ATOM 802 CB GLU A 48 -18.258 3.963 -3.764 1.00 32.10 C ATOM 803 CG GLU A 48 -18.971 2.957 -4.675 1.00 34.32 C ATOM 804 CD GLU A 48 -18.825 1.512 -4.182 1.00 12.23 C ATOM 805 OE1 GLU A 48 -19.668 1.060 -3.373 1.00 2.11 O ATOM 806 OE2 GLU A 48 -17.866 0.823 -4.593 1.00 70.25 O ATOM 0 H GLU A 48 -16.937 5.006 -5.682 1.00 44.05 H new ATOM 0 HA GLU A 48 -19.440 5.680 -4.298 1.00 63.43 H new ATOM 0 HB2 GLU A 48 -17.201 3.701 -3.713 1.00 32.10 H new ATOM 0 HB3 GLU A 48 -18.659 3.867 -2.755 1.00 32.10 H new ATOM 0 HG2 GLU A 48 -20.029 3.212 -4.734 1.00 34.32 H new ATOM 0 HG3 GLU A 48 -18.567 3.036 -5.684 1.00 34.32 H new ATOM 813 N LYS A 49 -18.637 6.977 -2.339 1.00 4.01 N ATOM 814 CA LYS A 49 -18.276 8.086 -1.441 1.00 63.35 C ATOM 815 C LYS A 49 -17.469 7.610 -0.220 1.00 35.25 C ATOM 816 O LYS A 49 -16.293 7.966 -0.061 1.00 34.25 O ATOM 817 CB LYS A 49 -19.573 8.819 -0.980 1.00 63.20 C ATOM 818 CG LYS A 49 -19.348 10.039 -0.056 1.00 11.51 C ATOM 819 CD LYS A 49 -18.607 11.202 -0.756 1.00 73.23 C ATOM 820 CE LYS A 49 -18.315 12.367 0.202 1.00 75.42 C ATOM 821 NZ LYS A 49 -17.749 13.541 -0.509 1.00 53.22 N ATOM 0 H LYS A 49 -19.620 6.711 -2.280 1.00 4.01 H new ATOM 0 HA LYS A 49 -17.636 8.772 -1.996 1.00 63.35 H new ATOM 0 HB2 LYS A 49 -20.118 9.149 -1.864 1.00 63.20 H new ATOM 0 HB3 LYS A 49 -20.211 8.103 -0.461 1.00 63.20 H new ATOM 0 HG2 LYS A 49 -20.312 10.396 0.306 1.00 11.51 H new ATOM 0 HG3 LYS A 49 -18.776 9.725 0.817 1.00 11.51 H new ATOM 0 HD2 LYS A 49 -17.670 10.834 -1.173 1.00 73.23 H new ATOM 0 HD3 LYS A 49 -19.208 11.563 -1.591 1.00 73.23 H new ATOM 0 HE2 LYS A 49 -19.235 12.659 0.709 1.00 75.42 H new ATOM 0 HE3 LYS A 49 -17.617 12.038 0.972 1.00 75.42 H new ATOM 0 HZ1 LYS A 49 -17.566 14.305 0.173 1.00 53.22 H new ATOM 0 HZ2 LYS A 49 -16.858 13.270 -0.972 1.00 53.22 H new ATOM 0 HZ3 LYS A 49 -18.426 13.872 -1.226 1.00 53.22 H new ATOM 835 N ASN A 50 -18.109 6.796 0.633 1.00 13.23 N ATOM 836 CA ASN A 50 -17.511 6.321 1.883 1.00 34.34 C ATOM 837 C ASN A 50 -18.033 4.913 2.190 1.00 32.23 C ATOM 838 O ASN A 50 -19.136 4.739 2.719 1.00 54.30 O ATOM 839 CB ASN A 50 -17.792 7.306 3.056 1.00 60.53 C ATOM 840 CG ASN A 50 -17.100 6.899 4.364 1.00 74.41 C ATOM 841 OD1 ASN A 50 -15.952 7.267 4.615 1.00 54.32 O ATOM 842 ND2 ASN A 50 -17.783 6.136 5.207 1.00 31.24 N ATOM 0 H ASN A 50 -19.055 6.450 0.473 1.00 13.23 H new ATOM 0 HA ASN A 50 -16.428 6.277 1.766 1.00 34.34 H new ATOM 0 HB2 ASN A 50 -17.459 8.304 2.772 1.00 60.53 H new ATOM 0 HB3 ASN A 50 -18.867 7.364 3.224 1.00 60.53 H new ATOM 0 HD21 ASN A 50 -17.359 5.841 6.086 1.00 31.24 H new ATOM 0 HD22 ASN A 50 -18.733 5.844 4.976 1.00 31.24 H new ATOM 849 N PHE A 51 -17.248 3.917 1.774 1.00 33.32 N ATOM 850 CA PHE A 51 -17.464 2.501 2.110 1.00 11.01 C ATOM 851 C PHE A 51 -16.201 1.976 2.813 1.00 23.34 C ATOM 852 O PHE A 51 -15.287 2.767 3.084 1.00 62.03 O ATOM 853 CB PHE A 51 -17.837 1.681 0.841 1.00 64.11 C ATOM 854 CG PHE A 51 -16.775 1.592 -0.267 1.00 31.42 C ATOM 855 CD1 PHE A 51 -16.461 2.700 -1.049 1.00 20.12 C ATOM 856 CD2 PHE A 51 -16.122 0.389 -0.551 1.00 42.14 C ATOM 857 CE1 PHE A 51 -15.535 2.615 -2.074 1.00 1.41 C ATOM 858 CE2 PHE A 51 -15.192 0.305 -1.571 1.00 73.43 C ATOM 859 CZ PHE A 51 -14.900 1.417 -2.334 1.00 1.35 C ATOM 0 H PHE A 51 -16.430 4.070 1.184 1.00 33.32 H new ATOM 0 HA PHE A 51 -18.309 2.392 2.790 1.00 11.01 H new ATOM 0 HB2 PHE A 51 -18.087 0.667 1.154 1.00 64.11 H new ATOM 0 HB3 PHE A 51 -18.740 2.114 0.411 1.00 64.11 H new ATOM 0 HD1 PHE A 51 -16.949 3.643 -0.852 1.00 20.12 H new ATOM 0 HD2 PHE A 51 -16.348 -0.489 0.036 1.00 42.14 H new ATOM 0 HE1 PHE A 51 -15.309 3.486 -2.671 1.00 1.41 H new ATOM 0 HE2 PHE A 51 -14.694 -0.632 -1.771 1.00 73.43 H new ATOM 0 HZ PHE A 51 -14.176 1.350 -3.133 1.00 1.35 H new ATOM 869 N GLU A 52 -16.170 0.663 3.134 1.00 62.10 N ATOM 870 CA GLU A 52 -15.027 0.014 3.822 1.00 71.23 C ATOM 871 C GLU A 52 -13.687 0.299 3.106 1.00 60.51 C ATOM 872 O GLU A 52 -13.641 0.342 1.868 1.00 53.12 O ATOM 873 CB GLU A 52 -15.243 -1.529 3.980 1.00 13.53 C ATOM 874 CG GLU A 52 -15.607 -2.314 2.691 1.00 73.22 C ATOM 875 CD GLU A 52 -17.128 -2.422 2.451 1.00 54.43 C ATOM 876 OE1 GLU A 52 -17.756 -3.372 2.980 1.00 1.21 O ATOM 877 OE2 GLU A 52 -17.711 -1.551 1.777 1.00 22.41 O ATOM 0 H GLU A 52 -16.935 0.022 2.924 1.00 62.10 H new ATOM 0 HA GLU A 52 -14.977 0.453 4.819 1.00 71.23 H new ATOM 0 HB2 GLU A 52 -14.332 -1.960 4.396 1.00 13.53 H new ATOM 0 HB3 GLU A 52 -16.035 -1.689 4.712 1.00 13.53 H new ATOM 0 HG2 GLU A 52 -15.145 -1.825 1.833 1.00 73.22 H new ATOM 0 HG3 GLU A 52 -15.184 -3.317 2.753 1.00 73.22 H new ATOM 884 N LYS A 53 -12.617 0.535 3.905 1.00 44.25 N ATOM 885 CA LYS A 53 -11.282 0.901 3.381 1.00 54.23 C ATOM 886 C LYS A 53 -10.608 -0.289 2.683 1.00 22.11 C ATOM 887 O LYS A 53 -10.830 -1.451 3.038 1.00 64.55 O ATOM 888 CB LYS A 53 -10.339 1.555 4.455 1.00 54.53 C ATOM 889 CG LYS A 53 -10.335 0.962 5.892 1.00 42.40 C ATOM 890 CD LYS A 53 -11.347 1.655 6.840 1.00 62.21 C ATOM 891 CE LYS A 53 -11.200 1.222 8.310 1.00 4.44 C ATOM 892 NZ LYS A 53 -11.452 -0.223 8.519 1.00 2.54 N ATOM 0 H LYS A 53 -12.656 0.477 4.923 1.00 44.25 H new ATOM 0 HA LYS A 53 -11.457 1.677 2.635 1.00 54.23 H new ATOM 0 HB2 LYS A 53 -9.319 1.509 4.074 1.00 54.53 H new ATOM 0 HB3 LYS A 53 -10.604 2.610 4.531 1.00 54.53 H new ATOM 0 HG2 LYS A 53 -10.565 -0.102 5.840 1.00 42.40 H new ATOM 0 HG3 LYS A 53 -9.333 1.051 6.312 1.00 42.40 H new ATOM 0 HD2 LYS A 53 -11.217 2.735 6.772 1.00 62.21 H new ATOM 0 HD3 LYS A 53 -12.360 1.434 6.503 1.00 62.21 H new ATOM 0 HE2 LYS A 53 -10.194 1.463 8.654 1.00 4.44 H new ATOM 0 HE3 LYS A 53 -11.893 1.798 8.923 1.00 4.44 H new ATOM 0 HZ1 LYS A 53 -11.624 -0.403 9.529 1.00 2.54 H new ATOM 0 HZ2 LYS A 53 -12.286 -0.513 7.969 1.00 2.54 H new ATOM 0 HZ3 LYS A 53 -10.624 -0.769 8.206 1.00 2.54 H new ATOM 906 N ILE A 54 -9.796 0.045 1.663 1.00 41.21 N ATOM 907 CA ILE A 54 -9.216 -0.921 0.715 1.00 3.24 C ATOM 908 C ILE A 54 -7.708 -1.028 0.968 1.00 43.52 C ATOM 909 O ILE A 54 -7.053 -0.041 1.337 1.00 43.24 O ATOM 910 CB ILE A 54 -9.473 -0.496 -0.799 1.00 52.33 C ATOM 911 CG1 ILE A 54 -10.997 -0.385 -1.142 1.00 43.04 C ATOM 912 CG2 ILE A 54 -8.792 -1.461 -1.793 1.00 1.12 C ATOM 913 CD1 ILE A 54 -11.691 0.832 -0.578 1.00 54.22 C ATOM 0 H ILE A 54 -9.521 1.009 1.472 1.00 41.21 H new ATOM 0 HA ILE A 54 -9.700 -1.884 0.875 1.00 3.24 H new ATOM 0 HB ILE A 54 -9.027 0.493 -0.904 1.00 52.33 H new ATOM 0 HG12 ILE A 54 -11.111 -0.380 -2.226 1.00 43.04 H new ATOM 0 HG13 ILE A 54 -11.503 -1.277 -0.773 1.00 43.04 H new ATOM 0 HG21 ILE A 54 -8.993 -1.134 -2.813 1.00 1.12 H new ATOM 0 HG22 ILE A 54 -7.716 -1.464 -1.618 1.00 1.12 H new ATOM 0 HG23 ILE A 54 -9.185 -2.467 -1.650 1.00 1.12 H new ATOM 0 HD11 ILE A 54 -12.741 0.820 -0.869 1.00 54.22 H new ATOM 0 HD12 ILE A 54 -11.616 0.822 0.509 1.00 54.22 H new ATOM 0 HD13 ILE A 54 -11.217 1.734 -0.966 1.00 54.22 H new ATOM 925 N LEU A 55 -7.171 -2.234 0.757 1.00 62.35 N ATOM 926 CA LEU A 55 -5.743 -2.498 0.854 1.00 2.12 C ATOM 927 C LEU A 55 -5.214 -2.844 -0.541 1.00 65.55 C ATOM 928 O LEU A 55 -5.667 -3.809 -1.170 1.00 61.44 O ATOM 929 CB LEU A 55 -5.490 -3.631 1.877 1.00 40.32 C ATOM 930 CG LEU A 55 -3.979 -3.925 2.216 1.00 51.04 C ATOM 931 CD1 LEU A 55 -3.775 -4.188 3.725 1.00 34.40 C ATOM 932 CD2 LEU A 55 -3.403 -5.082 1.360 1.00 53.42 C ATOM 0 H LEU A 55 -7.724 -3.056 0.513 1.00 62.35 H new ATOM 0 HA LEU A 55 -5.208 -1.618 1.212 1.00 2.12 H new ATOM 0 HB2 LEU A 55 -6.008 -3.381 2.803 1.00 40.32 H new ATOM 0 HB3 LEU A 55 -5.942 -4.547 1.496 1.00 40.32 H new ATOM 0 HG LEU A 55 -3.419 -3.026 1.958 1.00 51.04 H new ATOM 0 HD11 LEU A 55 -2.721 -4.387 3.920 1.00 34.40 H new ATOM 0 HD12 LEU A 55 -4.091 -3.313 4.293 1.00 34.40 H new ATOM 0 HD13 LEU A 55 -4.369 -5.050 4.028 1.00 34.40 H new ATOM 0 HD21 LEU A 55 -2.360 -5.249 1.628 1.00 53.42 H new ATOM 0 HD22 LEU A 55 -3.975 -5.991 1.545 1.00 53.42 H new ATOM 0 HD23 LEU A 55 -3.469 -4.821 0.304 1.00 53.42 H new ATOM 944 N ILE A 56 -4.286 -2.018 -1.030 1.00 70.32 N ATOM 945 CA ILE A 56 -3.618 -2.223 -2.320 1.00 30.42 C ATOM 946 C ILE A 56 -2.262 -2.892 -2.057 1.00 74.24 C ATOM 947 O ILE A 56 -1.572 -2.539 -1.100 1.00 30.13 O ATOM 948 CB ILE A 56 -3.367 -0.856 -3.086 1.00 73.33 C ATOM 949 CG1 ILE A 56 -4.624 0.064 -3.069 1.00 71.13 C ATOM 950 CG2 ILE A 56 -2.897 -1.105 -4.543 1.00 55.13 C ATOM 951 CD1 ILE A 56 -5.864 -0.502 -3.723 1.00 41.42 C ATOM 0 H ILE A 56 -3.974 -1.181 -0.538 1.00 70.32 H new ATOM 0 HA ILE A 56 -4.262 -2.843 -2.943 1.00 30.42 H new ATOM 0 HB ILE A 56 -2.572 -0.338 -2.550 1.00 73.33 H new ATOM 0 HG12 ILE A 56 -4.861 0.304 -2.033 1.00 71.13 H new ATOM 0 HG13 ILE A 56 -4.371 1.002 -3.564 1.00 71.13 H new ATOM 0 HG21 ILE A 56 -2.734 -0.149 -5.041 1.00 55.13 H new ATOM 0 HG22 ILE A 56 -1.967 -1.673 -4.533 1.00 55.13 H new ATOM 0 HG23 ILE A 56 -3.660 -1.668 -5.080 1.00 55.13 H new ATOM 0 HD11 ILE A 56 -6.675 0.222 -3.653 1.00 41.42 H new ATOM 0 HD12 ILE A 56 -5.657 -0.715 -4.772 1.00 41.42 H new ATOM 0 HD13 ILE A 56 -6.154 -1.423 -3.217 1.00 41.42 H new ATOM 963 N ILE A 57 -1.912 -3.886 -2.874 1.00 71.15 N ATOM 964 CA ILE A 57 -0.544 -4.426 -2.954 1.00 53.14 C ATOM 965 C ILE A 57 -0.026 -4.150 -4.370 1.00 21.11 C ATOM 966 O ILE A 57 -0.748 -4.362 -5.349 1.00 23.23 O ATOM 967 CB ILE A 57 -0.490 -5.972 -2.624 1.00 11.03 C ATOM 968 CG1 ILE A 57 -0.942 -6.213 -1.148 1.00 0.40 C ATOM 969 CG2 ILE A 57 0.921 -6.569 -2.886 1.00 41.42 C ATOM 970 CD1 ILE A 57 -0.918 -7.657 -0.689 1.00 14.33 C ATOM 0 H ILE A 57 -2.569 -4.345 -3.504 1.00 71.15 H new ATOM 0 HA ILE A 57 0.085 -3.940 -2.208 1.00 53.14 H new ATOM 0 HB ILE A 57 -1.178 -6.489 -3.293 1.00 11.03 H new ATOM 0 HG12 ILE A 57 -0.299 -5.629 -0.489 1.00 0.40 H new ATOM 0 HG13 ILE A 57 -1.955 -5.828 -1.028 1.00 0.40 H new ATOM 0 HG21 ILE A 57 0.916 -7.633 -2.647 1.00 41.42 H new ATOM 0 HG22 ILE A 57 1.184 -6.434 -3.935 1.00 41.42 H new ATOM 0 HG23 ILE A 57 1.654 -6.060 -2.260 1.00 41.42 H new ATOM 0 HD11 ILE A 57 -1.249 -7.715 0.348 1.00 14.33 H new ATOM 0 HD12 ILE A 57 -1.584 -8.249 -1.316 1.00 14.33 H new ATOM 0 HD13 ILE A 57 0.097 -8.047 -0.768 1.00 14.33 H new ATOM 982 N SER A 58 1.201 -3.643 -4.459 1.00 71.22 N ATOM 983 CA SER A 58 1.862 -3.328 -5.717 1.00 11.31 C ATOM 984 C SER A 58 3.307 -3.798 -5.630 1.00 71.15 C ATOM 985 O SER A 58 4.045 -3.401 -4.718 1.00 53.01 O ATOM 986 CB SER A 58 1.806 -1.822 -5.996 1.00 1.35 C ATOM 987 OG SER A 58 2.462 -1.497 -7.207 1.00 50.32 O ATOM 0 H SER A 58 1.773 -3.436 -3.640 1.00 71.22 H new ATOM 0 HA SER A 58 1.353 -3.835 -6.537 1.00 11.31 H new ATOM 0 HB2 SER A 58 0.766 -1.498 -6.045 1.00 1.35 H new ATOM 0 HB3 SER A 58 2.270 -1.280 -5.172 1.00 1.35 H new ATOM 0 HG SER A 58 3.366 -1.173 -7.013 1.00 50.32 H new ATOM 993 N ASN A 59 3.687 -4.651 -6.580 1.00 22.24 N ATOM 994 CA ASN A 59 5.029 -5.235 -6.658 1.00 53.31 C ATOM 995 C ASN A 59 6.058 -4.156 -7.055 1.00 43.12 C ATOM 996 O ASN A 59 7.194 -4.146 -6.566 1.00 45.30 O ATOM 997 CB ASN A 59 5.031 -6.409 -7.686 1.00 75.54 C ATOM 998 CG ASN A 59 4.045 -7.546 -7.352 1.00 13.21 C ATOM 999 OD1 ASN A 59 2.994 -7.335 -6.743 1.00 32.33 O ATOM 1000 ND2 ASN A 59 4.356 -8.760 -7.779 1.00 41.41 N ATOM 0 H ASN A 59 3.066 -4.961 -7.327 1.00 22.24 H new ATOM 0 HA ASN A 59 5.309 -5.626 -5.680 1.00 53.31 H new ATOM 0 HB2 ASN A 59 4.790 -6.013 -8.673 1.00 75.54 H new ATOM 0 HB3 ASN A 59 6.038 -6.823 -7.746 1.00 75.54 H new ATOM 0 HD21 ASN A 59 3.722 -9.540 -7.606 1.00 41.41 H new ATOM 0 HD22 ASN A 59 5.230 -8.916 -8.281 1.00 41.41 H new ATOM 1007 N ASP A 60 5.617 -3.225 -7.919 1.00 30.12 N ATOM 1008 CA ASP A 60 6.477 -2.191 -8.533 1.00 54.21 C ATOM 1009 C ASP A 60 6.358 -0.825 -7.810 1.00 70.34 C ATOM 1010 O ASP A 60 5.301 -0.489 -7.262 1.00 61.43 O ATOM 1011 CB ASP A 60 6.128 -2.066 -10.041 1.00 72.44 C ATOM 1012 CG ASP A 60 6.889 -0.936 -10.756 1.00 72.04 C ATOM 1013 OD1 ASP A 60 8.132 -1.002 -10.840 1.00 72.01 O ATOM 1014 OD2 ASP A 60 6.254 0.022 -11.223 1.00 55.21 O ATOM 0 H ASP A 60 4.643 -3.166 -8.216 1.00 30.12 H new ATOM 0 HA ASP A 60 7.517 -2.500 -8.428 1.00 54.21 H new ATOM 0 HB2 ASP A 60 6.348 -3.012 -10.536 1.00 72.44 H new ATOM 0 HB3 ASP A 60 5.057 -1.894 -10.145 1.00 72.44 H new ATOM 1019 N LYS A 61 7.470 -0.053 -7.846 1.00 43.20 N ATOM 1020 CA LYS A 61 7.605 1.252 -7.155 1.00 43.55 C ATOM 1021 C LYS A 61 6.906 2.382 -7.929 1.00 24.20 C ATOM 1022 O LYS A 61 6.318 3.282 -7.323 1.00 44.14 O ATOM 1023 CB LYS A 61 9.101 1.634 -6.970 1.00 3.51 C ATOM 1024 CG LYS A 61 9.977 0.574 -6.282 1.00 60.14 C ATOM 1025 CD LYS A 61 9.474 0.154 -4.883 1.00 65.21 C ATOM 1026 CE LYS A 61 10.433 -0.843 -4.195 1.00 12.01 C ATOM 1027 NZ LYS A 61 10.665 -2.080 -4.999 1.00 45.11 N ATOM 0 H LYS A 61 8.308 -0.322 -8.361 1.00 43.20 H new ATOM 0 HA LYS A 61 7.128 1.137 -6.182 1.00 43.55 H new ATOM 0 HB2 LYS A 61 9.526 1.850 -7.950 1.00 3.51 H new ATOM 0 HB3 LYS A 61 9.153 2.555 -6.390 1.00 3.51 H new ATOM 0 HG2 LYS A 61 10.028 -0.309 -6.919 1.00 60.14 H new ATOM 0 HG3 LYS A 61 10.992 0.960 -6.191 1.00 60.14 H new ATOM 0 HD2 LYS A 61 9.363 1.040 -4.257 1.00 65.21 H new ATOM 0 HD3 LYS A 61 8.486 -0.298 -4.974 1.00 65.21 H new ATOM 0 HE2 LYS A 61 11.388 -0.351 -4.011 1.00 12.01 H new ATOM 0 HE3 LYS A 61 10.025 -1.119 -3.223 1.00 12.01 H new ATOM 0 HZ1 LYS A 61 11.247 -2.746 -4.451 1.00 45.11 H new ATOM 0 HZ2 LYS A 61 9.752 -2.523 -5.226 1.00 45.11 H new ATOM 0 HZ3 LYS A 61 11.158 -1.834 -5.881 1.00 45.11 H new ATOM 1041 N GLN A 62 6.996 2.329 -9.277 1.00 74.14 N ATOM 1042 CA GLN A 62 6.452 3.381 -10.168 1.00 22.24 C ATOM 1043 C GLN A 62 4.915 3.397 -10.084 1.00 53.20 C ATOM 1044 O GLN A 62 4.296 4.460 -10.178 1.00 32.33 O ATOM 1045 CB GLN A 62 6.907 3.160 -11.641 1.00 33.43 C ATOM 1046 CG GLN A 62 8.427 2.941 -11.836 1.00 51.25 C ATOM 1047 CD GLN A 62 9.305 4.130 -11.413 1.00 43.24 C ATOM 1048 OE1 GLN A 62 8.895 5.289 -11.476 1.00 51.02 O ATOM 1049 NE2 GLN A 62 10.536 3.854 -11.009 1.00 1.23 N ATOM 0 H GLN A 62 7.445 1.561 -9.776 1.00 74.14 H new ATOM 0 HA GLN A 62 6.840 4.344 -9.836 1.00 22.24 H new ATOM 0 HB2 GLN A 62 6.377 2.296 -12.042 1.00 33.43 H new ATOM 0 HB3 GLN A 62 6.602 4.024 -12.232 1.00 33.43 H new ATOM 0 HG2 GLN A 62 8.730 2.062 -11.267 1.00 51.25 H new ATOM 0 HG3 GLN A 62 8.617 2.722 -12.887 1.00 51.25 H new ATOM 0 HE21 GLN A 62 10.853 2.886 -10.965 1.00 1.23 H new ATOM 0 HE22 GLN A 62 11.167 4.610 -10.742 1.00 1.23 H new ATOM 1058 N LEU A 63 4.329 2.192 -9.865 1.00 3.30 N ATOM 1059 CA LEU A 63 2.876 2.020 -9.696 1.00 61.34 C ATOM 1060 C LEU A 63 2.405 2.715 -8.404 1.00 70.45 C ATOM 1061 O LEU A 63 1.375 3.394 -8.406 1.00 71.25 O ATOM 1062 CB LEU A 63 2.488 0.514 -9.646 1.00 71.12 C ATOM 1063 CG LEU A 63 2.913 -0.372 -10.854 1.00 3.12 C ATOM 1064 CD1 LEU A 63 2.352 -1.804 -10.710 1.00 30.22 C ATOM 1065 CD2 LEU A 63 2.521 0.258 -12.202 1.00 1.21 C ATOM 0 H LEU A 63 4.854 1.320 -9.802 1.00 3.30 H new ATOM 0 HA LEU A 63 2.385 2.475 -10.556 1.00 61.34 H new ATOM 0 HB2 LEU A 63 2.921 0.084 -8.743 1.00 71.12 H new ATOM 0 HB3 LEU A 63 1.405 0.448 -9.543 1.00 71.12 H new ATOM 0 HG LEU A 63 4.001 -0.435 -10.845 1.00 3.12 H new ATOM 0 HD11 LEU A 63 2.662 -2.404 -11.566 1.00 30.22 H new ATOM 0 HD12 LEU A 63 2.734 -2.254 -9.794 1.00 30.22 H new ATOM 0 HD13 LEU A 63 1.263 -1.766 -10.669 1.00 30.22 H new ATOM 0 HD21 LEU A 63 2.838 -0.396 -13.015 1.00 1.21 H new ATOM 0 HD22 LEU A 63 1.440 0.389 -12.242 1.00 1.21 H new ATOM 0 HD23 LEU A 63 3.008 1.228 -12.306 1.00 1.21 H new ATOM 1077 N LEU A 64 3.203 2.534 -7.313 1.00 55.04 N ATOM 1078 CA LEU A 64 2.950 3.163 -5.996 1.00 24.20 C ATOM 1079 C LEU A 64 2.800 4.679 -6.159 1.00 23.15 C ATOM 1080 O LEU A 64 1.792 5.247 -5.754 1.00 72.01 O ATOM 1081 CB LEU A 64 4.111 2.883 -4.993 1.00 10.34 C ATOM 1082 CG LEU A 64 4.370 1.401 -4.605 1.00 42.43 C ATOM 1083 CD1 LEU A 64 5.671 1.277 -3.784 1.00 31.22 C ATOM 1084 CD2 LEU A 64 3.166 0.803 -3.844 1.00 63.21 C ATOM 0 H LEU A 64 4.037 1.947 -7.328 1.00 55.04 H new ATOM 0 HA LEU A 64 2.031 2.730 -5.600 1.00 24.20 H new ATOM 0 HB2 LEU A 64 5.030 3.287 -5.418 1.00 10.34 H new ATOM 0 HB3 LEU A 64 3.910 3.442 -4.079 1.00 10.34 H new ATOM 0 HG LEU A 64 4.492 0.825 -5.522 1.00 42.43 H new ATOM 0 HD11 LEU A 64 5.837 0.232 -3.521 1.00 31.22 H new ATOM 0 HD12 LEU A 64 6.511 1.640 -4.376 1.00 31.22 H new ATOM 0 HD13 LEU A 64 5.585 1.871 -2.874 1.00 31.22 H new ATOM 0 HD21 LEU A 64 3.378 -0.235 -3.586 1.00 63.21 H new ATOM 0 HD22 LEU A 64 2.991 1.375 -2.933 1.00 63.21 H new ATOM 0 HD23 LEU A 64 2.279 0.846 -4.475 1.00 63.21 H new ATOM 1096 N LYS A 65 3.807 5.284 -6.832 1.00 21.32 N ATOM 1097 CA LYS A 65 3.916 6.738 -7.033 1.00 22.12 C ATOM 1098 C LYS A 65 2.659 7.302 -7.733 1.00 12.42 C ATOM 1099 O LYS A 65 2.117 8.327 -7.300 1.00 70.01 O ATOM 1100 CB LYS A 65 5.198 7.061 -7.858 1.00 21.32 C ATOM 1101 CG LYS A 65 5.438 8.569 -8.132 1.00 63.03 C ATOM 1102 CD LYS A 65 5.712 9.381 -6.845 1.00 13.12 C ATOM 1103 CE LYS A 65 5.883 10.883 -7.126 1.00 33.33 C ATOM 1104 NZ LYS A 65 6.988 11.161 -8.082 1.00 12.33 N ATOM 0 H LYS A 65 4.575 4.763 -7.255 1.00 21.32 H new ATOM 0 HA LYS A 65 3.991 7.218 -6.057 1.00 22.12 H new ATOM 0 HB2 LYS A 65 6.063 6.661 -7.329 1.00 21.32 H new ATOM 0 HB3 LYS A 65 5.139 6.538 -8.813 1.00 21.32 H new ATOM 0 HG2 LYS A 65 6.283 8.679 -8.811 1.00 63.03 H new ATOM 0 HG3 LYS A 65 4.566 8.984 -8.638 1.00 63.03 H new ATOM 0 HD2 LYS A 65 4.889 9.236 -6.145 1.00 13.12 H new ATOM 0 HD3 LYS A 65 6.612 8.999 -6.362 1.00 13.12 H new ATOM 0 HE2 LYS A 65 4.951 11.283 -7.526 1.00 33.33 H new ATOM 0 HE3 LYS A 65 6.077 11.405 -6.189 1.00 33.33 H new ATOM 0 HZ1 LYS A 65 7.140 12.188 -8.147 1.00 12.33 H new ATOM 0 HZ2 LYS A 65 7.860 10.702 -7.748 1.00 12.33 H new ATOM 0 HZ3 LYS A 65 6.738 10.788 -9.020 1.00 12.33 H new ATOM 1118 N GLU A 66 2.204 6.601 -8.802 1.00 65.22 N ATOM 1119 CA GLU A 66 0.972 6.958 -9.536 1.00 51.12 C ATOM 1120 C GLU A 66 -0.246 7.014 -8.590 1.00 24.41 C ATOM 1121 O GLU A 66 -0.971 8.020 -8.554 1.00 62.42 O ATOM 1122 CB GLU A 66 0.711 5.961 -10.698 1.00 41.12 C ATOM 1123 CG GLU A 66 1.844 5.910 -11.736 1.00 74.02 C ATOM 1124 CD GLU A 66 1.560 4.974 -12.919 1.00 55.13 C ATOM 1125 OE1 GLU A 66 1.496 3.740 -12.713 1.00 5.02 O ATOM 1126 OE2 GLU A 66 1.419 5.469 -14.067 1.00 24.11 O ATOM 0 H GLU A 66 2.680 5.779 -9.174 1.00 65.22 H new ATOM 0 HA GLU A 66 1.117 7.952 -9.960 1.00 51.12 H new ATOM 0 HB2 GLU A 66 0.565 4.964 -10.283 1.00 41.12 H new ATOM 0 HB3 GLU A 66 -0.217 6.236 -11.199 1.00 41.12 H new ATOM 0 HG2 GLU A 66 2.022 6.916 -12.116 1.00 74.02 H new ATOM 0 HG3 GLU A 66 2.761 5.589 -11.243 1.00 74.02 H new ATOM 1133 N MET A 67 -0.415 5.939 -7.793 1.00 63.42 N ATOM 1134 CA MET A 67 -1.549 5.807 -6.858 1.00 50.35 C ATOM 1135 C MET A 67 -1.535 6.928 -5.799 1.00 10.13 C ATOM 1136 O MET A 67 -2.540 7.581 -5.619 1.00 53.12 O ATOM 1137 CB MET A 67 -1.543 4.440 -6.143 1.00 23.44 C ATOM 1138 CG MET A 67 -1.530 3.212 -7.040 1.00 44.05 C ATOM 1139 SD MET A 67 -1.433 1.701 -6.060 1.00 75.30 S ATOM 1140 CE MET A 67 -0.613 0.578 -7.173 1.00 2.10 C ATOM 0 H MET A 67 0.225 5.145 -7.780 1.00 63.42 H new ATOM 0 HA MET A 67 -2.456 5.888 -7.457 1.00 50.35 H new ATOM 0 HB2 MET A 67 -0.670 4.398 -5.492 1.00 23.44 H new ATOM 0 HB3 MET A 67 -2.422 4.386 -5.501 1.00 23.44 H new ATOM 0 HG2 MET A 67 -2.431 3.195 -7.654 1.00 44.05 H new ATOM 0 HG3 MET A 67 -0.681 3.263 -7.722 1.00 44.05 H new ATOM 0 HE1 MET A 67 -0.994 -0.431 -7.017 1.00 2.10 H new ATOM 0 HE2 MET A 67 -0.803 0.883 -8.202 1.00 2.10 H new ATOM 0 HE3 MET A 67 0.460 0.595 -6.982 1.00 2.10 H new ATOM 1150 N LEU A 68 -0.362 7.154 -5.144 1.00 41.20 N ATOM 1151 CA LEU A 68 -0.198 8.155 -4.048 1.00 22.02 C ATOM 1152 C LEU A 68 -0.691 9.552 -4.486 1.00 25.02 C ATOM 1153 O LEU A 68 -1.312 10.282 -3.704 1.00 21.41 O ATOM 1154 CB LEU A 68 1.294 8.261 -3.599 1.00 24.34 C ATOM 1155 CG LEU A 68 1.994 6.943 -3.126 1.00 32.52 C ATOM 1156 CD1 LEU A 68 3.473 7.197 -2.779 1.00 14.35 C ATOM 1157 CD2 LEU A 68 1.256 6.274 -1.948 1.00 24.12 C ATOM 0 H LEU A 68 0.497 6.648 -5.360 1.00 41.20 H new ATOM 0 HA LEU A 68 -0.802 7.808 -3.210 1.00 22.02 H new ATOM 0 HB2 LEU A 68 1.869 8.669 -4.430 1.00 24.34 H new ATOM 0 HB3 LEU A 68 1.352 8.985 -2.786 1.00 24.34 H new ATOM 0 HG LEU A 68 1.952 6.245 -3.962 1.00 32.52 H new ATOM 0 HD11 LEU A 68 3.936 6.265 -2.453 1.00 14.35 H new ATOM 0 HD12 LEU A 68 3.994 7.572 -3.660 1.00 14.35 H new ATOM 0 HD13 LEU A 68 3.538 7.933 -1.978 1.00 14.35 H new ATOM 0 HD21 LEU A 68 1.782 5.364 -1.658 1.00 24.12 H new ATOM 0 HD22 LEU A 68 1.225 6.960 -1.102 1.00 24.12 H new ATOM 0 HD23 LEU A 68 0.239 6.024 -2.250 1.00 24.12 H new ATOM 1169 N GLU A 69 -0.416 9.876 -5.764 1.00 21.21 N ATOM 1170 CA GLU A 69 -0.785 11.156 -6.384 1.00 3.03 C ATOM 1171 C GLU A 69 -2.284 11.218 -6.742 1.00 32.11 C ATOM 1172 O GLU A 69 -2.888 12.290 -6.666 1.00 73.24 O ATOM 1173 CB GLU A 69 0.098 11.404 -7.631 1.00 70.44 C ATOM 1174 CG GLU A 69 1.598 11.556 -7.311 1.00 15.20 C ATOM 1175 CD GLU A 69 1.881 12.688 -6.307 1.00 25.03 C ATOM 1176 OE1 GLU A 69 1.801 13.875 -6.705 1.00 12.40 O ATOM 1177 OE2 GLU A 69 2.170 12.407 -5.126 1.00 64.02 O ATOM 0 H GLU A 69 0.074 9.247 -6.399 1.00 21.21 H new ATOM 0 HA GLU A 69 -0.607 11.948 -5.657 1.00 3.03 H new ATOM 0 HB2 GLU A 69 -0.033 10.576 -8.328 1.00 70.44 H new ATOM 0 HB3 GLU A 69 -0.249 12.305 -8.137 1.00 70.44 H new ATOM 0 HG2 GLU A 69 1.976 10.616 -6.908 1.00 15.20 H new ATOM 0 HG3 GLU A 69 2.144 11.750 -8.234 1.00 15.20 H new ATOM 1184 N LEU A 70 -2.872 10.072 -7.142 1.00 31.45 N ATOM 1185 CA LEU A 70 -4.328 9.967 -7.406 1.00 13.30 C ATOM 1186 C LEU A 70 -5.127 10.129 -6.089 1.00 31.11 C ATOM 1187 O LEU A 70 -6.003 10.995 -5.986 1.00 32.01 O ATOM 1188 CB LEU A 70 -4.656 8.608 -8.096 1.00 73.54 C ATOM 1189 CG LEU A 70 -4.060 8.416 -9.528 1.00 30.22 C ATOM 1190 CD1 LEU A 70 -4.312 6.987 -10.060 1.00 51.54 C ATOM 1191 CD2 LEU A 70 -4.608 9.485 -10.503 1.00 34.43 C ATOM 0 H LEU A 70 -2.362 9.202 -7.291 1.00 31.45 H new ATOM 0 HA LEU A 70 -4.622 10.770 -8.082 1.00 13.30 H new ATOM 0 HB2 LEU A 70 -4.293 7.801 -7.460 1.00 73.54 H new ATOM 0 HB3 LEU A 70 -5.739 8.504 -8.156 1.00 73.54 H new ATOM 0 HG LEU A 70 -2.980 8.549 -9.458 1.00 30.22 H new ATOM 0 HD11 LEU A 70 -3.884 6.889 -11.058 1.00 51.54 H new ATOM 0 HD12 LEU A 70 -3.845 6.263 -9.393 1.00 51.54 H new ATOM 0 HD13 LEU A 70 -5.385 6.800 -10.105 1.00 51.54 H new ATOM 0 HD21 LEU A 70 -4.178 9.330 -11.492 1.00 34.43 H new ATOM 0 HD22 LEU A 70 -5.693 9.402 -10.562 1.00 34.43 H new ATOM 0 HD23 LEU A 70 -4.339 10.478 -10.143 1.00 34.43 H new ATOM 1203 N ILE A 71 -4.752 9.311 -5.085 1.00 35.23 N ATOM 1204 CA ILE A 71 -5.341 9.287 -3.722 1.00 72.13 C ATOM 1205 C ILE A 71 -5.250 10.674 -3.047 1.00 70.34 C ATOM 1206 O ILE A 71 -6.123 11.049 -2.247 1.00 71.54 O ATOM 1207 CB ILE A 71 -4.614 8.204 -2.834 1.00 40.02 C ATOM 1208 CG1 ILE A 71 -4.671 6.801 -3.509 1.00 30.52 C ATOM 1209 CG2 ILE A 71 -5.206 8.134 -1.408 1.00 14.43 C ATOM 1210 CD1 ILE A 71 -3.732 5.778 -2.891 1.00 0.22 C ATOM 0 H ILE A 71 -4.006 8.624 -5.200 1.00 35.23 H new ATOM 0 HA ILE A 71 -6.395 9.025 -3.816 1.00 72.13 H new ATOM 0 HB ILE A 71 -3.572 8.511 -2.747 1.00 40.02 H new ATOM 0 HG12 ILE A 71 -5.692 6.423 -3.452 1.00 30.52 H new ATOM 0 HG13 ILE A 71 -4.430 6.908 -4.567 1.00 30.52 H new ATOM 0 HG21 ILE A 71 -4.676 7.376 -0.831 1.00 14.43 H new ATOM 0 HG22 ILE A 71 -5.097 9.103 -0.921 1.00 14.43 H new ATOM 0 HG23 ILE A 71 -6.263 7.874 -1.465 1.00 14.43 H new ATOM 0 HD11 ILE A 71 -3.832 4.828 -3.417 1.00 0.22 H new ATOM 0 HD12 ILE A 71 -2.704 6.132 -2.972 1.00 0.22 H new ATOM 0 HD13 ILE A 71 -3.986 5.639 -1.840 1.00 0.22 H new ATOM 1222 N SER A 72 -4.195 11.424 -3.415 1.00 3.32 N ATOM 1223 CA SER A 72 -3.959 12.793 -2.947 1.00 71.42 C ATOM 1224 C SER A 72 -5.181 13.699 -3.249 1.00 33.12 C ATOM 1225 O SER A 72 -5.696 14.359 -2.344 1.00 70.11 O ATOM 1226 CB SER A 72 -2.680 13.348 -3.612 1.00 11.22 C ATOM 1227 OG SER A 72 -2.301 14.597 -3.066 1.00 11.34 O ATOM 0 H SER A 72 -3.475 11.087 -4.055 1.00 3.32 H new ATOM 0 HA SER A 72 -3.821 12.782 -1.866 1.00 71.42 H new ATOM 0 HB2 SER A 72 -1.866 12.634 -3.485 1.00 11.22 H new ATOM 0 HB3 SER A 72 -2.846 13.456 -4.684 1.00 11.22 H new ATOM 0 HG SER A 72 -1.360 14.564 -2.796 1.00 11.34 H new ATOM 1233 N LYS A 73 -5.651 13.707 -4.527 1.00 43.44 N ATOM 1234 CA LYS A 73 -6.863 14.478 -4.920 1.00 72.43 C ATOM 1235 C LYS A 73 -8.163 13.661 -4.730 1.00 65.13 C ATOM 1236 O LYS A 73 -9.261 14.208 -4.906 1.00 63.43 O ATOM 1237 CB LYS A 73 -6.792 15.070 -6.364 1.00 71.31 C ATOM 1238 CG LYS A 73 -6.830 14.065 -7.550 1.00 1.21 C ATOM 1239 CD LYS A 73 -5.437 13.586 -8.003 1.00 54.01 C ATOM 1240 CE LYS A 73 -4.532 14.737 -8.486 1.00 35.31 C ATOM 1241 NZ LYS A 73 -3.233 14.229 -8.992 1.00 44.41 N ATOM 0 H LYS A 73 -5.215 13.195 -5.294 1.00 43.44 H new ATOM 0 HA LYS A 73 -6.887 15.326 -4.236 1.00 72.43 H new ATOM 0 HB2 LYS A 73 -7.623 15.765 -6.485 1.00 71.31 H new ATOM 0 HB3 LYS A 73 -5.874 15.653 -6.445 1.00 71.31 H new ATOM 0 HG2 LYS A 73 -7.426 13.199 -7.262 1.00 1.21 H new ATOM 0 HG3 LYS A 73 -7.336 14.533 -8.395 1.00 1.21 H new ATOM 0 HD2 LYS A 73 -4.949 13.070 -7.176 1.00 54.01 H new ATOM 0 HD3 LYS A 73 -5.552 12.860 -8.808 1.00 54.01 H new ATOM 0 HE2 LYS A 73 -5.039 15.294 -9.274 1.00 35.31 H new ATOM 0 HE3 LYS A 73 -4.357 15.433 -7.666 1.00 35.31 H new ATOM 0 HZ1 LYS A 73 -2.548 15.011 -9.037 1.00 44.41 H new ATOM 0 HZ2 LYS A 73 -2.875 13.492 -8.351 1.00 44.41 H new ATOM 0 HZ3 LYS A 73 -3.364 13.828 -9.943 1.00 44.41 H new ATOM 1255 N LEU A 74 -8.052 12.349 -4.384 1.00 1.15 N ATOM 1256 CA LEU A 74 -9.231 11.539 -3.968 1.00 23.14 C ATOM 1257 C LEU A 74 -9.623 11.915 -2.525 1.00 4.51 C ATOM 1258 O LEU A 74 -10.758 11.681 -2.096 1.00 72.51 O ATOM 1259 CB LEU A 74 -8.974 9.996 -4.069 1.00 12.44 C ATOM 1260 CG LEU A 74 -8.773 9.396 -5.507 1.00 13.41 C ATOM 1261 CD1 LEU A 74 -8.530 7.867 -5.457 1.00 1.42 C ATOM 1262 CD2 LEU A 74 -9.955 9.738 -6.439 1.00 43.44 C ATOM 0 H LEU A 74 -7.171 11.836 -4.385 1.00 1.15 H new ATOM 0 HA LEU A 74 -10.045 11.767 -4.656 1.00 23.14 H new ATOM 0 HB2 LEU A 74 -8.089 9.761 -3.478 1.00 12.44 H new ATOM 0 HB3 LEU A 74 -9.814 9.482 -3.603 1.00 12.44 H new ATOM 0 HG LEU A 74 -7.880 9.861 -5.924 1.00 13.41 H new ATOM 0 HD11 LEU A 74 -8.395 7.487 -6.470 1.00 1.42 H new ATOM 0 HD12 LEU A 74 -7.636 7.660 -4.870 1.00 1.42 H new ATOM 0 HD13 LEU A 74 -9.388 7.377 -4.997 1.00 1.42 H new ATOM 0 HD21 LEU A 74 -9.779 9.306 -7.424 1.00 43.44 H new ATOM 0 HD22 LEU A 74 -10.876 9.330 -6.023 1.00 43.44 H new ATOM 0 HD23 LEU A 74 -10.046 10.820 -6.529 1.00 43.44 H new ATOM 1274 N GLY A 75 -8.656 12.491 -1.783 1.00 3.25 N ATOM 1275 CA GLY A 75 -8.895 13.043 -0.449 1.00 54.31 C ATOM 1276 C GLY A 75 -8.714 12.039 0.675 1.00 30.42 C ATOM 1277 O GLY A 75 -8.956 12.374 1.844 1.00 0.53 O ATOM 0 H GLY A 75 -7.690 12.583 -2.098 1.00 3.25 H new ATOM 0 HA2 GLY A 75 -8.217 13.881 -0.287 1.00 54.31 H new ATOM 0 HA3 GLY A 75 -9.909 13.441 -0.408 1.00 54.31 H new ATOM 1281 N TYR A 76 -8.281 10.809 0.335 1.00 44.42 N ATOM 1282 CA TYR A 76 -8.142 9.716 1.319 1.00 33.51 C ATOM 1283 C TYR A 76 -6.832 9.857 2.092 1.00 74.25 C ATOM 1284 O TYR A 76 -5.891 10.511 1.622 1.00 4.04 O ATOM 1285 CB TYR A 76 -8.171 8.321 0.637 1.00 31.41 C ATOM 1286 CG TYR A 76 -9.356 8.049 -0.298 1.00 32.31 C ATOM 1287 CD1 TYR A 76 -10.557 8.759 -0.203 1.00 74.03 C ATOM 1288 CD2 TYR A 76 -9.272 7.050 -1.267 1.00 61.10 C ATOM 1289 CE1 TYR A 76 -11.618 8.483 -1.040 1.00 52.43 C ATOM 1290 CE2 TYR A 76 -10.329 6.779 -2.102 1.00 42.23 C ATOM 1291 CZ TYR A 76 -11.497 7.494 -1.984 1.00 64.44 C ATOM 1292 OH TYR A 76 -12.555 7.214 -2.806 1.00 55.25 O ATOM 0 H TYR A 76 -8.021 10.547 -0.616 1.00 44.42 H new ATOM 0 HA TYR A 76 -8.989 9.791 2.001 1.00 33.51 H new ATOM 0 HB2 TYR A 76 -7.250 8.199 0.067 1.00 31.41 H new ATOM 0 HB3 TYR A 76 -8.167 7.559 1.416 1.00 31.41 H new ATOM 0 HD1 TYR A 76 -10.656 9.537 0.539 1.00 74.03 H new ATOM 0 HD2 TYR A 76 -8.360 6.479 -1.363 1.00 61.10 H new ATOM 0 HE1 TYR A 76 -12.538 9.042 -0.953 1.00 52.43 H new ATOM 0 HE2 TYR A 76 -10.242 6.005 -2.850 1.00 42.23 H new ATOM 0 HH TYR A 76 -13.084 8.027 -2.946 1.00 55.25 H new ATOM 1302 N LYS A 77 -6.774 9.206 3.265 1.00 32.30 N ATOM 1303 CA LYS A 77 -5.553 9.142 4.064 1.00 62.41 C ATOM 1304 C LYS A 77 -4.556 8.230 3.348 1.00 61.45 C ATOM 1305 O LYS A 77 -4.817 7.030 3.173 1.00 54.21 O ATOM 1306 CB LYS A 77 -5.844 8.618 5.493 1.00 54.31 C ATOM 1307 CG LYS A 77 -4.591 8.472 6.394 1.00 25.43 C ATOM 1308 CD LYS A 77 -4.896 8.046 7.855 1.00 0.41 C ATOM 1309 CE LYS A 77 -5.611 9.131 8.698 1.00 14.33 C ATOM 1310 NZ LYS A 77 -7.037 9.350 8.312 1.00 40.03 N ATOM 0 H LYS A 77 -7.567 8.716 3.678 1.00 32.30 H new ATOM 0 HA LYS A 77 -5.135 10.143 4.169 1.00 62.41 H new ATOM 0 HB2 LYS A 77 -6.547 9.295 5.978 1.00 54.31 H new ATOM 0 HB3 LYS A 77 -6.336 7.648 5.417 1.00 54.31 H new ATOM 0 HG2 LYS A 77 -3.921 7.738 5.947 1.00 25.43 H new ATOM 0 HG3 LYS A 77 -4.057 9.422 6.410 1.00 25.43 H new ATOM 0 HD2 LYS A 77 -5.515 7.149 7.838 1.00 0.41 H new ATOM 0 HD3 LYS A 77 -3.960 7.779 8.346 1.00 0.41 H new ATOM 0 HE2 LYS A 77 -5.568 8.848 9.750 1.00 14.33 H new ATOM 0 HE3 LYS A 77 -5.069 10.071 8.599 1.00 14.33 H new ATOM 0 HZ1 LYS A 77 -7.125 10.256 7.809 1.00 40.03 H new ATOM 0 HZ2 LYS A 77 -7.351 8.577 7.691 1.00 40.03 H new ATOM 0 HZ3 LYS A 77 -7.629 9.369 9.167 1.00 40.03 H new ATOM 1324 N VAL A 78 -3.431 8.820 2.918 1.00 73.30 N ATOM 1325 CA VAL A 78 -2.428 8.123 2.119 1.00 55.14 C ATOM 1326 C VAL A 78 -1.433 7.446 3.067 1.00 63.13 C ATOM 1327 O VAL A 78 -0.619 8.109 3.728 1.00 23.44 O ATOM 1328 CB VAL A 78 -1.662 9.110 1.154 1.00 51.11 C ATOM 1329 CG1 VAL A 78 -0.741 8.331 0.190 1.00 73.21 C ATOM 1330 CG2 VAL A 78 -2.638 10.026 0.376 1.00 23.34 C ATOM 0 H VAL A 78 -3.197 9.793 3.117 1.00 73.30 H new ATOM 0 HA VAL A 78 -2.930 7.382 1.497 1.00 55.14 H new ATOM 0 HB VAL A 78 -1.039 9.756 1.773 1.00 51.11 H new ATOM 0 HG11 VAL A 78 -0.224 9.032 -0.465 1.00 73.21 H new ATOM 0 HG12 VAL A 78 -0.009 7.764 0.765 1.00 73.21 H new ATOM 0 HG13 VAL A 78 -1.339 7.646 -0.411 1.00 73.21 H new ATOM 0 HG21 VAL A 78 -2.072 10.690 -0.277 1.00 23.34 H new ATOM 0 HG22 VAL A 78 -3.311 9.414 -0.225 1.00 23.34 H new ATOM 0 HG23 VAL A 78 -3.220 10.620 1.081 1.00 23.34 H new ATOM 1340 N PHE A 79 -1.547 6.125 3.156 1.00 72.40 N ATOM 1341 CA PHE A 79 -0.655 5.282 3.947 1.00 34.42 C ATOM 1342 C PHE A 79 0.109 4.385 2.959 1.00 51.35 C ATOM 1343 O PHE A 79 -0.467 3.871 2.000 1.00 62.24 O ATOM 1344 CB PHE A 79 -1.484 4.450 4.978 1.00 14.14 C ATOM 1345 CG PHE A 79 -0.676 3.858 6.144 1.00 33.13 C ATOM 1346 CD1 PHE A 79 0.286 2.873 5.928 1.00 32.04 C ATOM 1347 CD2 PHE A 79 -0.883 4.287 7.461 1.00 21.14 C ATOM 1348 CE1 PHE A 79 1.011 2.344 6.966 1.00 73.20 C ATOM 1349 CE2 PHE A 79 -0.153 3.748 8.506 1.00 62.34 C ATOM 1350 CZ PHE A 79 0.796 2.778 8.255 1.00 25.10 C ATOM 0 H PHE A 79 -2.275 5.600 2.672 1.00 72.40 H new ATOM 0 HA PHE A 79 0.054 5.875 4.524 1.00 34.42 H new ATOM 0 HB2 PHE A 79 -2.268 5.087 5.387 1.00 14.14 H new ATOM 0 HB3 PHE A 79 -1.978 3.635 4.449 1.00 14.14 H new ATOM 0 HD1 PHE A 79 0.464 2.519 4.923 1.00 32.04 H new ATOM 0 HD2 PHE A 79 -1.622 5.048 7.664 1.00 21.14 H new ATOM 0 HE1 PHE A 79 1.753 1.584 6.771 1.00 73.20 H new ATOM 0 HE2 PHE A 79 -0.326 4.086 9.517 1.00 62.34 H new ATOM 0 HZ PHE A 79 1.370 2.360 9.069 1.00 25.10 H new ATOM 1360 N LEU A 80 1.405 4.218 3.199 1.00 2.11 N ATOM 1361 CA LEU A 80 2.304 3.434 2.345 1.00 2.14 C ATOM 1362 C LEU A 80 3.160 2.539 3.252 1.00 74.41 C ATOM 1363 O LEU A 80 3.429 2.879 4.405 1.00 74.05 O ATOM 1364 CB LEU A 80 3.177 4.385 1.458 1.00 2.13 C ATOM 1365 CG LEU A 80 4.207 3.718 0.471 1.00 31.12 C ATOM 1366 CD1 LEU A 80 3.532 2.748 -0.510 1.00 35.14 C ATOM 1367 CD2 LEU A 80 5.022 4.785 -0.294 1.00 54.33 C ATOM 0 H LEU A 80 1.873 4.629 4.006 1.00 2.11 H new ATOM 0 HA LEU A 80 1.737 2.803 1.660 1.00 2.14 H new ATOM 0 HB2 LEU A 80 2.503 5.009 0.870 1.00 2.13 H new ATOM 0 HB3 LEU A 80 3.730 5.050 2.121 1.00 2.13 H new ATOM 0 HG LEU A 80 4.893 3.134 1.085 1.00 31.12 H new ATOM 0 HD11 LEU A 80 4.284 2.315 -1.169 1.00 35.14 H new ATOM 0 HD12 LEU A 80 3.036 1.953 0.047 1.00 35.14 H new ATOM 0 HD13 LEU A 80 2.795 3.287 -1.106 1.00 35.14 H new ATOM 0 HD21 LEU A 80 5.724 4.293 -0.967 1.00 54.33 H new ATOM 0 HD22 LEU A 80 4.345 5.414 -0.872 1.00 54.33 H new ATOM 0 HD23 LEU A 80 5.572 5.401 0.417 1.00 54.33 H new ATOM 1379 N LEU A 81 3.512 1.371 2.734 1.00 1.24 N ATOM 1380 CA LEU A 81 4.362 0.376 3.390 1.00 54.13 C ATOM 1381 C LEU A 81 5.231 -0.248 2.302 1.00 30.20 C ATOM 1382 O LEU A 81 4.762 -0.442 1.176 1.00 23.11 O ATOM 1383 CB LEU A 81 3.492 -0.711 4.099 1.00 34.23 C ATOM 1384 CG LEU A 81 4.257 -1.965 4.662 1.00 74.13 C ATOM 1385 CD1 LEU A 81 5.311 -1.576 5.718 1.00 11.31 C ATOM 1386 CD2 LEU A 81 3.275 -3.024 5.211 1.00 63.33 C ATOM 0 H LEU A 81 3.203 1.075 1.808 1.00 1.24 H new ATOM 0 HA LEU A 81 4.980 0.838 4.160 1.00 54.13 H new ATOM 0 HB2 LEU A 81 2.960 -0.237 4.924 1.00 34.23 H new ATOM 0 HB3 LEU A 81 2.739 -1.060 3.392 1.00 34.23 H new ATOM 0 HG LEU A 81 4.794 -2.411 3.825 1.00 74.13 H new ATOM 0 HD11 LEU A 81 5.814 -2.474 6.078 1.00 11.31 H new ATOM 0 HD12 LEU A 81 6.044 -0.905 5.270 1.00 11.31 H new ATOM 0 HD13 LEU A 81 4.822 -1.074 6.553 1.00 11.31 H new ATOM 0 HD21 LEU A 81 3.836 -3.877 5.592 1.00 63.33 H new ATOM 0 HD22 LEU A 81 2.684 -2.589 6.017 1.00 63.33 H new ATOM 0 HD23 LEU A 81 2.611 -3.354 4.412 1.00 63.33 H new ATOM 1398 N LEU A 82 6.497 -0.518 2.625 1.00 44.02 N ATOM 1399 CA LEU A 82 7.426 -1.184 1.709 1.00 11.22 C ATOM 1400 C LEU A 82 8.428 -2.064 2.488 1.00 63.54 C ATOM 1401 O LEU A 82 8.796 -1.753 3.629 1.00 55.32 O ATOM 1402 CB LEU A 82 8.112 -0.128 0.764 1.00 1.31 C ATOM 1403 CG LEU A 82 8.540 1.256 1.395 1.00 70.44 C ATOM 1404 CD1 LEU A 82 9.737 1.130 2.343 1.00 41.32 C ATOM 1405 CD2 LEU A 82 8.819 2.313 0.305 1.00 63.33 C ATOM 0 H LEU A 82 6.907 -0.281 3.528 1.00 44.02 H new ATOM 0 HA LEU A 82 6.874 -1.865 1.060 1.00 11.22 H new ATOM 0 HB2 LEU A 82 9.001 -0.590 0.335 1.00 1.31 H new ATOM 0 HB3 LEU A 82 7.430 0.077 -0.061 1.00 1.31 H new ATOM 0 HG LEU A 82 7.692 1.591 1.992 1.00 70.44 H new ATOM 0 HD11 LEU A 82 9.986 2.111 2.746 1.00 41.32 H new ATOM 0 HD12 LEU A 82 9.484 0.455 3.161 1.00 41.32 H new ATOM 0 HD13 LEU A 82 10.593 0.734 1.797 1.00 41.32 H new ATOM 0 HD21 LEU A 82 9.111 3.252 0.775 1.00 63.33 H new ATOM 0 HD22 LEU A 82 9.625 1.965 -0.341 1.00 63.33 H new ATOM 0 HD23 LEU A 82 7.919 2.469 -0.289 1.00 63.33 H new ATOM 1417 N GLN A 83 8.811 -3.183 1.854 1.00 54.15 N ATOM 1418 CA GLN A 83 9.804 -4.135 2.367 1.00 62.04 C ATOM 1419 C GLN A 83 10.530 -4.763 1.166 1.00 20.14 C ATOM 1420 O GLN A 83 9.898 -5.041 0.132 1.00 3.31 O ATOM 1421 CB GLN A 83 9.147 -5.214 3.295 1.00 1.41 C ATOM 1422 CG GLN A 83 8.290 -6.314 2.609 1.00 71.31 C ATOM 1423 CD GLN A 83 9.089 -7.497 2.020 1.00 43.42 C ATOM 1424 OE1 GLN A 83 8.700 -8.083 1.006 1.00 44.55 O ATOM 1425 NE2 GLN A 83 10.183 -7.878 2.664 1.00 55.54 N ATOM 0 H GLN A 83 8.429 -3.456 0.949 1.00 54.15 H new ATOM 0 HA GLN A 83 10.528 -3.614 2.993 1.00 62.04 H new ATOM 0 HB2 GLN A 83 9.942 -5.706 3.856 1.00 1.41 H new ATOM 0 HB3 GLN A 83 8.517 -4.698 4.020 1.00 1.41 H new ATOM 0 HG2 GLN A 83 7.578 -6.704 3.336 1.00 71.31 H new ATOM 0 HG3 GLN A 83 7.710 -5.854 1.809 1.00 71.31 H new ATOM 0 HE21 GLN A 83 10.483 -7.377 3.500 1.00 55.54 H new ATOM 0 HE22 GLN A 83 10.725 -8.672 2.324 1.00 55.54 H new ATOM 1434 N ASP A 84 11.850 -4.949 1.297 1.00 2.43 N ATOM 1435 CA ASP A 84 12.699 -5.528 0.233 1.00 13.34 C ATOM 1436 C ASP A 84 14.058 -5.956 0.813 1.00 3.10 C ATOM 1437 O ASP A 84 14.412 -5.600 1.947 1.00 11.10 O ATOM 1438 CB ASP A 84 12.880 -4.505 -0.950 1.00 12.11 C ATOM 1439 CG ASP A 84 13.758 -5.004 -2.121 1.00 70.24 C ATOM 1440 OD1 ASP A 84 13.549 -6.144 -2.592 1.00 42.42 O ATOM 1441 OD2 ASP A 84 14.673 -4.278 -2.557 1.00 32.02 O ATOM 0 H ASP A 84 12.365 -4.704 2.142 1.00 2.43 H new ATOM 0 HA ASP A 84 12.206 -6.414 -0.168 1.00 13.34 H new ATOM 0 HB2 ASP A 84 11.895 -4.246 -1.339 1.00 12.11 H new ATOM 0 HB3 ASP A 84 13.317 -3.589 -0.553 1.00 12.11 H new ATOM 1446 N GLN A 85 14.772 -6.754 0.016 1.00 70.41 N ATOM 1447 CA GLN A 85 16.165 -7.151 0.233 1.00 52.14 C ATOM 1448 C GLN A 85 17.080 -5.909 0.331 1.00 54.31 C ATOM 1449 O GLN A 85 17.790 -5.730 1.327 1.00 73.24 O ATOM 1450 CB GLN A 85 16.587 -8.062 -0.952 1.00 35.54 C ATOM 1451 CG GLN A 85 15.706 -9.320 -1.110 1.00 12.21 C ATOM 1452 CD GLN A 85 15.869 -10.009 -2.467 1.00 30.22 C ATOM 1453 OE1 GLN A 85 16.714 -10.889 -2.642 1.00 34.22 O ATOM 1454 NE2 GLN A 85 15.077 -9.593 -3.448 1.00 74.12 N ATOM 0 H GLN A 85 14.379 -7.158 -0.834 1.00 70.41 H new ATOM 0 HA GLN A 85 16.262 -7.693 1.174 1.00 52.14 H new ATOM 0 HB2 GLN A 85 16.549 -7.484 -1.875 1.00 35.54 H new ATOM 0 HB3 GLN A 85 17.623 -8.370 -0.811 1.00 35.54 H new ATOM 0 HG2 GLN A 85 15.952 -10.029 -0.319 1.00 12.21 H new ATOM 0 HG3 GLN A 85 14.661 -9.042 -0.975 1.00 12.21 H new ATOM 0 HE21 GLN A 85 14.387 -8.863 -3.272 1.00 74.12 H new ATOM 0 HE22 GLN A 85 15.158 -10.004 -4.378 1.00 74.12 H new ATOM 1463 N ASP A 86 17.037 -5.041 -0.703 1.00 43.42 N ATOM 1464 CA ASP A 86 17.824 -3.790 -0.735 1.00 72.14 C ATOM 1465 C ASP A 86 16.963 -2.653 -0.151 1.00 52.54 C ATOM 1466 O ASP A 86 16.172 -2.018 -0.868 1.00 33.01 O ATOM 1467 CB ASP A 86 18.293 -3.447 -2.184 1.00 42.35 C ATOM 1468 CG ASP A 86 19.387 -2.350 -2.236 1.00 71.01 C ATOM 1469 OD1 ASP A 86 19.117 -1.189 -1.849 1.00 21.04 O ATOM 1470 OD2 ASP A 86 20.532 -2.649 -2.656 1.00 71.40 O ATOM 0 H ASP A 86 16.461 -5.186 -1.532 1.00 43.42 H new ATOM 0 HA ASP A 86 18.725 -3.917 -0.134 1.00 72.14 H new ATOM 0 HB2 ASP A 86 18.674 -4.352 -2.658 1.00 42.35 H new ATOM 0 HB3 ASP A 86 17.433 -3.119 -2.768 1.00 42.35 H new ATOM 1475 N GLU A 87 17.106 -2.429 1.166 1.00 4.30 N ATOM 1476 CA GLU A 87 16.365 -1.377 1.880 1.00 52.04 C ATOM 1477 C GLU A 87 17.019 0.017 1.671 1.00 22.13 C ATOM 1478 O GLU A 87 16.454 1.046 2.069 1.00 32.30 O ATOM 1479 CB GLU A 87 16.227 -1.730 3.392 1.00 15.23 C ATOM 1480 CG GLU A 87 15.255 -0.800 4.153 1.00 25.04 C ATOM 1481 CD GLU A 87 15.205 -1.002 5.667 1.00 63.12 C ATOM 1482 OE1 GLU A 87 16.231 -0.763 6.340 1.00 51.41 O ATOM 1483 OE2 GLU A 87 14.127 -1.319 6.207 1.00 73.30 O ATOM 0 H GLU A 87 17.734 -2.968 1.762 1.00 4.30 H new ATOM 0 HA GLU A 87 15.361 -1.324 1.459 1.00 52.04 H new ATOM 0 HB2 GLU A 87 15.882 -2.760 3.487 1.00 15.23 H new ATOM 0 HB3 GLU A 87 17.210 -1.678 3.861 1.00 15.23 H new ATOM 0 HG2 GLU A 87 15.535 0.234 3.950 1.00 25.04 H new ATOM 0 HG3 GLU A 87 14.252 -0.943 3.751 1.00 25.04 H new ATOM 1490 N ASN A 88 18.199 0.063 1.015 1.00 55.41 N ATOM 1491 CA ASN A 88 18.872 1.340 0.693 1.00 64.01 C ATOM 1492 C ASN A 88 18.129 2.071 -0.445 1.00 22.52 C ATOM 1493 O ASN A 88 18.166 3.306 -0.529 1.00 64.25 O ATOM 1494 CB ASN A 88 20.369 1.133 0.338 1.00 62.54 C ATOM 1495 CG ASN A 88 21.215 0.513 1.464 1.00 40.43 C ATOM 1496 OD1 ASN A 88 22.216 -0.149 1.202 1.00 51.24 O ATOM 1497 ND2 ASN A 88 20.838 0.713 2.725 1.00 14.12 N ATOM 0 H ASN A 88 18.703 -0.766 0.699 1.00 55.41 H new ATOM 0 HA ASN A 88 18.839 1.964 1.586 1.00 64.01 H new ATOM 0 HB2 ASN A 88 20.435 0.493 -0.542 1.00 62.54 H new ATOM 0 HB3 ASN A 88 20.801 2.096 0.065 1.00 62.54 H new ATOM 0 HD21 ASN A 88 21.383 0.314 3.490 1.00 14.12 H new ATOM 0 HD22 ASN A 88 20.004 1.265 2.927 1.00 14.12 H new ATOM 1504 N GLU A 89 17.451 1.292 -1.314 1.00 2.43 N ATOM 1505 CA GLU A 89 16.516 1.835 -2.319 1.00 63.04 C ATOM 1506 C GLU A 89 15.197 2.272 -1.647 1.00 63.44 C ATOM 1507 O GLU A 89 14.603 3.286 -2.032 1.00 12.44 O ATOM 1508 CB GLU A 89 16.249 0.796 -3.446 1.00 1.40 C ATOM 1509 CG GLU A 89 17.454 0.545 -4.377 1.00 1.24 C ATOM 1510 CD GLU A 89 17.933 1.820 -5.103 1.00 22.12 C ATOM 1511 OE1 GLU A 89 17.357 2.167 -6.156 1.00 52.15 O ATOM 1512 OE2 GLU A 89 18.878 2.493 -4.619 1.00 40.33 O ATOM 0 H GLU A 89 17.536 0.276 -1.338 1.00 2.43 H new ATOM 0 HA GLU A 89 16.974 2.712 -2.776 1.00 63.04 H new ATOM 0 HB2 GLU A 89 15.954 -0.149 -2.990 1.00 1.40 H new ATOM 0 HB3 GLU A 89 15.406 1.137 -4.046 1.00 1.40 H new ATOM 0 HG2 GLU A 89 18.278 0.135 -3.793 1.00 1.24 H new ATOM 0 HG3 GLU A 89 17.183 -0.208 -5.117 1.00 1.24 H new ATOM 1519 N LEU A 90 14.758 1.496 -0.634 1.00 14.21 N ATOM 1520 CA LEU A 90 13.510 1.765 0.111 1.00 34.22 C ATOM 1521 C LEU A 90 13.570 3.080 0.903 1.00 34.44 C ATOM 1522 O LEU A 90 12.592 3.815 0.935 1.00 53.42 O ATOM 1523 CB LEU A 90 13.189 0.608 1.083 1.00 3.11 C ATOM 1524 CG LEU A 90 12.902 -0.783 0.455 1.00 2.12 C ATOM 1525 CD1 LEU A 90 12.529 -1.787 1.563 1.00 33.12 C ATOM 1526 CD2 LEU A 90 11.810 -0.710 -0.636 1.00 24.34 C ATOM 0 H LEU A 90 15.257 0.668 -0.310 1.00 14.21 H new ATOM 0 HA LEU A 90 12.722 1.852 -0.637 1.00 34.22 H new ATOM 0 HB2 LEU A 90 14.027 0.502 1.772 1.00 3.11 H new ATOM 0 HB3 LEU A 90 12.322 0.896 1.678 1.00 3.11 H new ATOM 0 HG LEU A 90 13.809 -1.129 -0.041 1.00 2.12 H new ATOM 0 HD11 LEU A 90 12.328 -2.762 1.118 1.00 33.12 H new ATOM 0 HD12 LEU A 90 13.355 -1.873 2.269 1.00 33.12 H new ATOM 0 HD13 LEU A 90 11.639 -1.437 2.087 1.00 33.12 H new ATOM 0 HD21 LEU A 90 11.641 -1.705 -1.049 1.00 24.34 H new ATOM 0 HD22 LEU A 90 10.884 -0.336 -0.199 1.00 24.34 H new ATOM 0 HD23 LEU A 90 12.134 -0.038 -1.431 1.00 24.34 H new ATOM 1538 N GLU A 91 14.715 3.347 1.563 1.00 41.41 N ATOM 1539 CA GLU A 91 14.898 4.559 2.387 1.00 1.30 C ATOM 1540 C GLU A 91 14.977 5.813 1.500 1.00 2.52 C ATOM 1541 O GLU A 91 14.504 6.881 1.897 1.00 72.44 O ATOM 1542 CB GLU A 91 16.151 4.419 3.299 1.00 43.34 C ATOM 1543 CG GLU A 91 17.482 4.260 2.554 1.00 64.00 C ATOM 1544 CD GLU A 91 18.686 4.032 3.481 1.00 10.40 C ATOM 1545 OE1 GLU A 91 18.931 2.874 3.884 1.00 71.23 O ATOM 1546 OE2 GLU A 91 19.393 5.010 3.804 1.00 1.30 O ATOM 0 H GLU A 91 15.531 2.736 1.541 1.00 41.41 H new ATOM 0 HA GLU A 91 14.030 4.672 3.037 1.00 1.30 H new ATOM 0 HB2 GLU A 91 16.214 5.298 3.941 1.00 43.34 H new ATOM 0 HB3 GLU A 91 16.012 3.557 3.951 1.00 43.34 H new ATOM 0 HG2 GLU A 91 17.403 3.421 1.863 1.00 64.00 H new ATOM 0 HG3 GLU A 91 17.661 5.152 1.954 1.00 64.00 H new ATOM 1553 N GLU A 92 15.550 5.645 0.290 1.00 70.41 N ATOM 1554 CA GLU A 92 15.638 6.676 -0.737 1.00 21.13 C ATOM 1555 C GLU A 92 14.227 7.084 -1.227 1.00 33.43 C ATOM 1556 O GLU A 92 13.905 8.273 -1.294 1.00 1.11 O ATOM 1557 CB GLU A 92 16.514 6.089 -1.877 1.00 15.25 C ATOM 1558 CG GLU A 92 16.475 6.828 -3.222 1.00 0.12 C ATOM 1559 CD GLU A 92 17.071 8.249 -3.186 1.00 60.43 C ATOM 1560 OE1 GLU A 92 18.310 8.393 -3.284 1.00 62.14 O ATOM 1561 OE2 GLU A 92 16.307 9.226 -3.059 1.00 65.22 O ATOM 0 H GLU A 92 15.972 4.762 0.004 1.00 70.41 H new ATOM 0 HA GLU A 92 16.091 7.590 -0.352 1.00 21.13 H new ATOM 0 HB2 GLU A 92 17.548 6.062 -1.533 1.00 15.25 H new ATOM 0 HB3 GLU A 92 16.207 5.057 -2.046 1.00 15.25 H new ATOM 0 HG2 GLU A 92 17.016 6.239 -3.962 1.00 0.12 H new ATOM 0 HG3 GLU A 92 15.440 6.890 -3.559 1.00 0.12 H new ATOM 1568 N PHE A 93 13.395 6.073 -1.530 1.00 61.42 N ATOM 1569 CA PHE A 93 12.001 6.258 -1.992 1.00 42.40 C ATOM 1570 C PHE A 93 11.147 6.885 -0.865 1.00 23.13 C ATOM 1571 O PHE A 93 10.454 7.882 -1.082 1.00 74.32 O ATOM 1572 CB PHE A 93 11.426 4.876 -2.426 1.00 25.21 C ATOM 1573 CG PHE A 93 10.056 4.896 -3.122 1.00 55.54 C ATOM 1574 CD1 PHE A 93 9.951 5.163 -4.492 1.00 31.44 C ATOM 1575 CD2 PHE A 93 8.879 4.609 -2.423 1.00 43.23 C ATOM 1576 CE1 PHE A 93 8.718 5.149 -5.128 1.00 12.13 C ATOM 1577 CE2 PHE A 93 7.653 4.587 -3.063 1.00 60.14 C ATOM 1578 CZ PHE A 93 7.573 4.857 -4.411 1.00 53.44 C ATOM 0 H PHE A 93 13.670 5.093 -1.462 1.00 61.42 H new ATOM 0 HA PHE A 93 11.978 6.936 -2.845 1.00 42.40 H new ATOM 0 HB2 PHE A 93 12.143 4.402 -3.096 1.00 25.21 H new ATOM 0 HB3 PHE A 93 11.351 4.244 -1.541 1.00 25.21 H new ATOM 0 HD1 PHE A 93 10.842 5.383 -5.062 1.00 31.44 H new ATOM 0 HD2 PHE A 93 8.928 4.401 -1.364 1.00 43.23 H new ATOM 0 HE1 PHE A 93 8.653 5.366 -6.184 1.00 12.13 H new ATOM 0 HE2 PHE A 93 6.757 4.358 -2.505 1.00 60.14 H new ATOM 0 HZ PHE A 93 6.615 4.841 -4.908 1.00 53.44 H new ATOM 1588 N LYS A 94 11.275 6.298 0.343 1.00 20.25 N ATOM 1589 CA LYS A 94 10.476 6.642 1.538 1.00 43.51 C ATOM 1590 C LYS A 94 10.592 8.129 1.912 1.00 55.23 C ATOM 1591 O LYS A 94 9.578 8.804 2.069 1.00 20.52 O ATOM 1592 CB LYS A 94 10.934 5.784 2.753 1.00 44.42 C ATOM 1593 CG LYS A 94 10.138 6.039 4.066 1.00 53.41 C ATOM 1594 CD LYS A 94 10.963 5.826 5.353 1.00 71.41 C ATOM 1595 CE LYS A 94 12.155 6.789 5.445 1.00 64.04 C ATOM 1596 NZ LYS A 94 12.867 6.678 6.743 1.00 45.25 N ATOM 0 H LYS A 94 11.952 5.555 0.519 1.00 20.25 H new ATOM 0 HA LYS A 94 9.435 6.433 1.292 1.00 43.51 H new ATOM 0 HB2 LYS A 94 10.846 4.730 2.490 1.00 44.42 H new ATOM 0 HB3 LYS A 94 11.990 5.979 2.941 1.00 44.42 H new ATOM 0 HG2 LYS A 94 9.758 7.061 4.055 1.00 53.41 H new ATOM 0 HG3 LYS A 94 9.272 5.377 4.088 1.00 53.41 H new ATOM 0 HD2 LYS A 94 10.319 5.964 6.222 1.00 71.41 H new ATOM 0 HD3 LYS A 94 11.325 4.798 5.384 1.00 71.41 H new ATOM 0 HE2 LYS A 94 12.851 6.582 4.632 1.00 64.04 H new ATOM 0 HE3 LYS A 94 11.804 7.812 5.311 1.00 64.04 H new ATOM 0 HZ1 LYS A 94 13.664 7.346 6.760 1.00 45.25 H new ATOM 0 HZ2 LYS A 94 12.211 6.901 7.519 1.00 45.25 H new ATOM 0 HZ3 LYS A 94 13.225 5.709 6.861 1.00 45.25 H new ATOM 1610 N ARG A 95 11.844 8.613 2.066 1.00 33.12 N ATOM 1611 CA ARG A 95 12.132 9.982 2.556 1.00 31.33 C ATOM 1612 C ARG A 95 11.565 11.078 1.638 1.00 22.41 C ATOM 1613 O ARG A 95 11.221 12.181 2.103 1.00 71.24 O ATOM 1614 CB ARG A 95 13.655 10.162 2.761 1.00 21.45 C ATOM 1615 CG ARG A 95 14.517 10.016 1.489 1.00 60.21 C ATOM 1616 CD ARG A 95 16.025 10.061 1.794 1.00 63.23 C ATOM 1617 NE ARG A 95 16.440 11.362 2.345 1.00 52.11 N ATOM 1618 CZ ARG A 95 17.164 11.553 3.461 1.00 73.14 C ATOM 1619 NH1 ARG A 95 17.589 10.521 4.190 1.00 62.14 N ATOM 1620 NH2 ARG A 95 17.468 12.788 3.839 1.00 25.53 N ATOM 0 H ARG A 95 12.681 8.070 1.856 1.00 33.12 H new ATOM 0 HA ARG A 95 11.624 10.096 3.514 1.00 31.33 H new ATOM 0 HB2 ARG A 95 13.833 11.149 3.188 1.00 21.45 H new ATOM 0 HB3 ARG A 95 13.994 9.431 3.495 1.00 21.45 H new ATOM 0 HG2 ARG A 95 14.277 9.074 0.997 1.00 60.21 H new ATOM 0 HG3 ARG A 95 14.266 10.814 0.790 1.00 60.21 H new ATOM 0 HD2 ARG A 95 16.275 9.271 2.503 1.00 63.23 H new ATOM 0 HD3 ARG A 95 16.585 9.859 0.881 1.00 63.23 H new ATOM 0 HE ARG A 95 16.151 12.195 1.832 1.00 52.11 H new ATOM 0 HH11 ARG A 95 17.366 9.568 3.903 1.00 62.14 H new ATOM 0 HH12 ARG A 95 18.138 10.685 5.034 1.00 62.14 H new ATOM 0 HH21 ARG A 95 17.153 13.583 3.284 1.00 25.53 H new ATOM 0 HH22 ARG A 95 18.017 12.942 4.685 1.00 25.53 H new ATOM 1634 N LYS A 96 11.463 10.754 0.343 1.00 53.51 N ATOM 1635 CA LYS A 96 10.874 11.639 -0.667 1.00 54.35 C ATOM 1636 C LYS A 96 9.347 11.714 -0.483 1.00 53.52 C ATOM 1637 O LYS A 96 8.758 12.775 -0.651 1.00 55.34 O ATOM 1638 CB LYS A 96 11.253 11.134 -2.085 1.00 14.41 C ATOM 1639 CG LYS A 96 12.780 11.072 -2.339 1.00 3.45 C ATOM 1640 CD LYS A 96 13.481 12.444 -2.170 1.00 35.31 C ATOM 1641 CE LYS A 96 15.016 12.352 -2.273 1.00 44.24 C ATOM 1642 NZ LYS A 96 15.467 11.823 -3.585 1.00 3.01 N ATOM 0 H LYS A 96 11.789 9.864 -0.035 1.00 53.51 H new ATOM 0 HA LYS A 96 11.270 12.647 -0.546 1.00 54.35 H new ATOM 0 HB2 LYS A 96 10.829 10.141 -2.232 1.00 14.41 H new ATOM 0 HB3 LYS A 96 10.797 11.789 -2.828 1.00 14.41 H new ATOM 0 HG2 LYS A 96 13.228 10.355 -1.651 1.00 3.45 H new ATOM 0 HG3 LYS A 96 12.960 10.701 -3.348 1.00 3.45 H new ATOM 0 HD2 LYS A 96 13.112 13.131 -2.932 1.00 35.31 H new ATOM 0 HD3 LYS A 96 13.212 12.867 -1.202 1.00 35.31 H new ATOM 0 HE2 LYS A 96 15.447 13.341 -2.116 1.00 44.24 H new ATOM 0 HE3 LYS A 96 15.393 11.710 -1.477 1.00 44.24 H new ATOM 0 HZ1 LYS A 96 16.220 12.432 -3.965 1.00 3.01 H new ATOM 0 HZ2 LYS A 96 15.832 10.857 -3.463 1.00 3.01 H new ATOM 0 HZ3 LYS A 96 14.666 11.809 -4.248 1.00 3.01 H new ATOM 1656 N ILE A 97 8.738 10.566 -0.119 1.00 0.12 N ATOM 1657 CA ILE A 97 7.284 10.440 0.136 1.00 31.11 C ATOM 1658 C ILE A 97 6.869 11.107 1.486 1.00 64.53 C ATOM 1659 O ILE A 97 5.769 11.674 1.588 1.00 0.12 O ATOM 1660 CB ILE A 97 6.857 8.916 0.095 1.00 52.31 C ATOM 1661 CG1 ILE A 97 7.263 8.251 -1.267 1.00 23.40 C ATOM 1662 CG2 ILE A 97 5.348 8.717 0.369 1.00 63.43 C ATOM 1663 CD1 ILE A 97 6.730 8.935 -2.525 1.00 43.14 C ATOM 0 H ILE A 97 9.246 9.690 0.008 1.00 0.12 H new ATOM 0 HA ILE A 97 6.755 10.974 -0.654 1.00 31.11 H new ATOM 0 HB ILE A 97 7.399 8.419 0.900 1.00 52.31 H new ATOM 0 HG12 ILE A 97 8.351 8.222 -1.325 1.00 23.40 H new ATOM 0 HG13 ILE A 97 6.916 7.218 -1.263 1.00 23.40 H new ATOM 0 HG21 ILE A 97 5.108 7.654 0.329 1.00 63.43 H new ATOM 0 HG22 ILE A 97 5.103 9.108 1.357 1.00 63.43 H new ATOM 0 HG23 ILE A 97 4.768 9.248 -0.386 1.00 63.43 H new ATOM 0 HD11 ILE A 97 7.071 8.392 -3.407 1.00 43.14 H new ATOM 0 HD12 ILE A 97 5.640 8.941 -2.502 1.00 43.14 H new ATOM 0 HD13 ILE A 97 7.098 9.960 -2.565 1.00 43.14 H new ATOM 1675 N GLU A 98 7.754 11.023 2.518 1.00 63.15 N ATOM 1676 CA GLU A 98 7.542 11.681 3.839 1.00 25.11 C ATOM 1677 C GLU A 98 7.292 13.195 3.688 1.00 51.34 C ATOM 1678 O GLU A 98 6.325 13.735 4.240 1.00 74.44 O ATOM 1679 CB GLU A 98 8.766 11.469 4.782 1.00 41.11 C ATOM 1680 CG GLU A 98 9.089 10.005 5.136 1.00 73.43 C ATOM 1681 CD GLU A 98 10.223 9.879 6.169 1.00 33.30 C ATOM 1682 OE1 GLU A 98 11.399 10.128 5.811 1.00 11.21 O ATOM 1683 OE2 GLU A 98 9.951 9.556 7.347 1.00 41.45 O ATOM 0 H GLU A 98 8.628 10.501 2.459 1.00 63.15 H new ATOM 0 HA GLU A 98 6.660 11.214 4.277 1.00 25.11 H new ATOM 0 HB2 GLU A 98 9.644 11.913 4.313 1.00 41.11 H new ATOM 0 HB3 GLU A 98 8.588 12.017 5.707 1.00 41.11 H new ATOM 0 HG2 GLU A 98 8.192 9.524 5.527 1.00 73.43 H new ATOM 0 HG3 GLU A 98 9.369 9.469 4.229 1.00 73.43 H new ATOM 1690 N SER A 99 8.181 13.844 2.913 1.00 53.30 N ATOM 1691 CA SER A 99 8.158 15.301 2.691 1.00 64.55 C ATOM 1692 C SER A 99 6.893 15.759 1.928 1.00 52.04 C ATOM 1693 O SER A 99 6.541 16.941 1.972 1.00 32.24 O ATOM 1694 CB SER A 99 9.435 15.731 1.940 1.00 22.01 C ATOM 1695 OG SER A 99 9.501 15.137 0.652 1.00 63.40 O ATOM 0 H SER A 99 8.939 13.370 2.421 1.00 53.30 H new ATOM 0 HA SER A 99 8.128 15.787 3.666 1.00 64.55 H new ATOM 0 HB2 SER A 99 9.455 16.817 1.844 1.00 22.01 H new ATOM 0 HB3 SER A 99 10.313 15.447 2.519 1.00 22.01 H new ATOM 0 HG SER A 99 9.087 14.249 0.680 1.00 63.40 H new ATOM 1701 N GLN A 100 6.223 14.817 1.230 1.00 74.15 N ATOM 1702 CA GLN A 100 4.971 15.093 0.485 1.00 21.33 C ATOM 1703 C GLN A 100 3.757 15.195 1.435 1.00 32.03 C ATOM 1704 O GLN A 100 2.703 15.698 1.040 1.00 24.34 O ATOM 1705 CB GLN A 100 4.716 13.984 -0.569 1.00 72.03 C ATOM 1706 CG GLN A 100 5.909 13.699 -1.495 1.00 2.41 C ATOM 1707 CD GLN A 100 6.343 14.887 -2.364 1.00 1.22 C ATOM 1708 OE1 GLN A 100 5.525 15.709 -2.774 1.00 22.22 O ATOM 1709 NE2 GLN A 100 7.634 14.983 -2.652 1.00 11.14 N ATOM 0 H GLN A 100 6.531 13.847 1.166 1.00 74.15 H new ATOM 0 HA GLN A 100 5.093 16.052 -0.018 1.00 21.33 H new ATOM 0 HB2 GLN A 100 4.446 13.064 -0.051 1.00 72.03 H new ATOM 0 HB3 GLN A 100 3.859 14.270 -1.179 1.00 72.03 H new ATOM 0 HG2 GLN A 100 6.756 13.382 -0.887 1.00 2.41 H new ATOM 0 HG3 GLN A 100 5.654 12.863 -2.147 1.00 2.41 H new ATOM 0 HE21 GLN A 100 8.289 14.286 -2.298 1.00 11.14 H new ATOM 0 HE22 GLN A 100 7.972 15.754 -3.228 1.00 11.14 H new ATOM 1718 N GLY A 101 3.926 14.691 2.673 1.00 24.32 N ATOM 1719 CA GLY A 101 2.871 14.693 3.692 1.00 54.33 C ATOM 1720 C GLY A 101 2.164 13.352 3.817 1.00 1.41 C ATOM 1721 O GLY A 101 1.139 13.251 4.501 1.00 72.11 O ATOM 0 H GLY A 101 4.800 14.272 2.990 1.00 24.32 H new ATOM 0 HA2 GLY A 101 3.305 14.960 4.656 1.00 54.33 H new ATOM 0 HA3 GLY A 101 2.139 15.462 3.448 1.00 54.33 H new ATOM 1725 N TYR A 102 2.712 12.315 3.151 1.00 54.05 N ATOM 1726 CA TYR A 102 2.147 10.949 3.173 1.00 55.11 C ATOM 1727 C TYR A 102 2.854 10.109 4.249 1.00 32.21 C ATOM 1728 O TYR A 102 4.077 10.220 4.401 1.00 73.31 O ATOM 1729 CB TYR A 102 2.330 10.257 1.791 1.00 72.42 C ATOM 1730 CG TYR A 102 1.833 11.048 0.564 1.00 63.24 C ATOM 1731 CD1 TYR A 102 0.721 11.899 0.629 1.00 43.00 C ATOM 1732 CD2 TYR A 102 2.472 10.917 -0.675 1.00 22.42 C ATOM 1733 CE1 TYR A 102 0.275 12.583 -0.491 1.00 1.55 C ATOM 1734 CE2 TYR A 102 2.029 11.601 -1.789 1.00 63.10 C ATOM 1735 CZ TYR A 102 0.934 12.431 -1.695 1.00 13.11 C ATOM 1736 OH TYR A 102 0.496 13.118 -2.807 1.00 74.00 O ATOM 0 H TYR A 102 3.556 12.400 2.584 1.00 54.05 H new ATOM 0 HA TYR A 102 1.083 11.023 3.398 1.00 55.11 H new ATOM 0 HB2 TYR A 102 3.389 10.041 1.653 1.00 72.42 H new ATOM 0 HB3 TYR A 102 1.810 9.299 1.815 1.00 72.42 H new ATOM 0 HD1 TYR A 102 0.203 12.024 1.568 1.00 43.00 H new ATOM 0 HD2 TYR A 102 3.330 10.267 -0.761 1.00 22.42 H new ATOM 0 HE1 TYR A 102 -0.585 13.233 -0.422 1.00 1.55 H new ATOM 0 HE2 TYR A 102 2.540 11.485 -2.733 1.00 63.10 H new ATOM 0 HH TYR A 102 1.049 12.877 -3.579 1.00 74.00 H new ATOM 1746 N GLU A 103 2.092 9.260 4.973 1.00 55.02 N ATOM 1747 CA GLU A 103 2.673 8.298 5.929 1.00 35.22 C ATOM 1748 C GLU A 103 3.237 7.107 5.148 1.00 75.14 C ATOM 1749 O GLU A 103 2.531 6.508 4.339 1.00 63.44 O ATOM 1750 CB GLU A 103 1.626 7.802 6.966 1.00 12.22 C ATOM 1751 CG GLU A 103 2.143 6.721 7.958 1.00 13.52 C ATOM 1752 CD GLU A 103 3.279 7.207 8.892 1.00 44.14 C ATOM 1753 OE1 GLU A 103 4.475 7.125 8.508 1.00 52.14 O ATOM 1754 OE2 GLU A 103 2.979 7.658 10.020 1.00 42.42 O ATOM 0 H GLU A 103 1.074 9.223 4.912 1.00 55.02 H new ATOM 0 HA GLU A 103 3.464 8.801 6.485 1.00 35.22 H new ATOM 0 HB2 GLU A 103 1.270 8.659 7.539 1.00 12.22 H new ATOM 0 HB3 GLU A 103 0.767 7.399 6.429 1.00 12.22 H new ATOM 0 HG2 GLU A 103 1.309 6.376 8.569 1.00 13.52 H new ATOM 0 HG3 GLU A 103 2.498 5.862 7.389 1.00 13.52 H new ATOM 1761 N VAL A 104 4.513 6.792 5.381 1.00 53.42 N ATOM 1762 CA VAL A 104 5.197 5.675 4.716 1.00 44.43 C ATOM 1763 C VAL A 104 6.089 4.916 5.718 1.00 23.24 C ATOM 1764 O VAL A 104 7.010 5.490 6.314 1.00 54.20 O ATOM 1765 CB VAL A 104 6.006 6.161 3.458 1.00 35.34 C ATOM 1766 CG1 VAL A 104 6.838 7.431 3.749 1.00 64.33 C ATOM 1767 CG2 VAL A 104 6.873 5.015 2.874 1.00 12.34 C ATOM 0 H VAL A 104 5.104 7.303 6.036 1.00 53.42 H new ATOM 0 HA VAL A 104 4.441 4.980 4.351 1.00 44.43 H new ATOM 0 HB VAL A 104 5.280 6.443 2.696 1.00 35.34 H new ATOM 0 HG11 VAL A 104 7.378 7.726 2.849 1.00 64.33 H new ATOM 0 HG12 VAL A 104 6.174 8.239 4.055 1.00 64.33 H new ATOM 0 HG13 VAL A 104 7.550 7.224 4.548 1.00 64.33 H new ATOM 0 HG21 VAL A 104 7.421 5.380 2.005 1.00 12.34 H new ATOM 0 HG22 VAL A 104 7.579 4.671 3.630 1.00 12.34 H new ATOM 0 HG23 VAL A 104 6.229 4.188 2.576 1.00 12.34 H new ATOM 1777 N ARG A 105 5.802 3.621 5.898 1.00 42.11 N ATOM 1778 CA ARG A 105 6.529 2.764 6.836 1.00 73.31 C ATOM 1779 C ARG A 105 7.549 1.920 6.071 1.00 3.35 C ATOM 1780 O ARG A 105 7.193 1.200 5.128 1.00 75.20 O ATOM 1781 CB ARG A 105 5.563 1.846 7.634 1.00 20.23 C ATOM 1782 CG ARG A 105 4.437 2.580 8.396 1.00 73.40 C ATOM 1783 CD ARG A 105 4.908 3.833 9.155 1.00 74.11 C ATOM 1784 NE ARG A 105 6.093 3.592 10.003 1.00 71.23 N ATOM 1785 CZ ARG A 105 6.869 4.559 10.526 1.00 52.53 C ATOM 1786 NH1 ARG A 105 6.602 5.848 10.299 1.00 73.14 N ATOM 1787 NH2 ARG A 105 7.920 4.230 11.270 1.00 64.20 N ATOM 0 H ARG A 105 5.057 3.139 5.395 1.00 42.11 H new ATOM 0 HA ARG A 105 7.045 3.402 7.554 1.00 73.31 H new ATOM 0 HB2 ARG A 105 5.109 1.135 6.943 1.00 20.23 H new ATOM 0 HB3 ARG A 105 6.146 1.267 8.350 1.00 20.23 H new ATOM 0 HG2 ARG A 105 3.660 2.868 7.687 1.00 73.40 H new ATOM 0 HG3 ARG A 105 3.981 1.888 9.105 1.00 73.40 H new ATOM 0 HD2 ARG A 105 5.138 4.619 8.436 1.00 74.11 H new ATOM 0 HD3 ARG A 105 4.092 4.200 9.778 1.00 74.11 H new ATOM 0 HE ARG A 105 6.341 2.624 10.207 1.00 71.23 H new ATOM 0 HH11 ARG A 105 5.802 6.109 9.723 1.00 73.14 H new ATOM 0 HH12 ARG A 105 7.198 6.571 10.702 1.00 73.14 H new ATOM 0 HH21 ARG A 105 8.135 3.248 11.442 1.00 64.20 H new ATOM 0 HH22 ARG A 105 8.511 4.959 11.669 1.00 64.20 H new ATOM 1801 N LYS A 106 8.813 2.041 6.471 1.00 63.33 N ATOM 1802 CA LYS A 106 9.914 1.262 5.912 1.00 44.41 C ATOM 1803 C LYS A 106 10.267 0.140 6.884 1.00 52.42 C ATOM 1804 O LYS A 106 10.583 0.404 8.052 1.00 63.15 O ATOM 1805 CB LYS A 106 11.134 2.179 5.679 1.00 52.41 C ATOM 1806 CG LYS A 106 12.348 1.487 5.031 1.00 75.21 C ATOM 1807 CD LYS A 106 13.591 2.396 4.999 1.00 24.15 C ATOM 1808 CE LYS A 106 14.075 2.795 6.403 1.00 71.01 C ATOM 1809 NZ LYS A 106 14.461 1.618 7.226 1.00 35.31 N ATOM 0 H LYS A 106 9.104 2.691 7.201 1.00 63.33 H new ATOM 0 HA LYS A 106 9.620 0.830 4.955 1.00 44.41 H new ATOM 0 HB2 LYS A 106 10.829 3.013 5.047 1.00 52.41 H new ATOM 0 HB3 LYS A 106 11.442 2.601 6.636 1.00 52.41 H new ATOM 0 HG2 LYS A 106 12.581 0.576 5.582 1.00 75.21 H new ATOM 0 HG3 LYS A 106 12.093 1.188 4.014 1.00 75.21 H new ATOM 0 HD2 LYS A 106 14.397 1.883 4.474 1.00 24.15 H new ATOM 0 HD3 LYS A 106 13.362 3.297 4.429 1.00 24.15 H new ATOM 0 HE2 LYS A 106 14.928 3.467 6.313 1.00 71.01 H new ATOM 0 HE3 LYS A 106 13.286 3.348 6.913 1.00 71.01 H new ATOM 0 HZ1 LYS A 106 14.633 1.921 8.206 1.00 35.31 H new ATOM 0 HZ2 LYS A 106 13.693 0.917 7.210 1.00 35.31 H new ATOM 0 HZ3 LYS A 106 15.327 1.192 6.838 1.00 35.31 H new ATOM 1823 N VAL A 107 10.182 -1.108 6.407 1.00 63.33 N ATOM 1824 CA VAL A 107 10.520 -2.307 7.196 1.00 55.52 C ATOM 1825 C VAL A 107 11.401 -3.241 6.343 1.00 54.32 C ATOM 1826 O VAL A 107 11.493 -3.087 5.118 1.00 60.32 O ATOM 1827 CB VAL A 107 9.234 -3.083 7.697 1.00 44.12 C ATOM 1828 CG1 VAL A 107 8.328 -2.191 8.581 1.00 42.14 C ATOM 1829 CG2 VAL A 107 8.430 -3.675 6.525 1.00 13.11 C ATOM 0 H VAL A 107 9.875 -1.319 5.457 1.00 63.33 H new ATOM 0 HA VAL A 107 11.061 -1.981 8.085 1.00 55.52 H new ATOM 0 HB VAL A 107 9.592 -3.909 8.311 1.00 44.12 H new ATOM 0 HG11 VAL A 107 7.458 -2.763 8.903 1.00 42.14 H new ATOM 0 HG12 VAL A 107 8.887 -1.858 9.455 1.00 42.14 H new ATOM 0 HG13 VAL A 107 8.001 -1.324 8.008 1.00 42.14 H new ATOM 0 HG21 VAL A 107 7.556 -4.199 6.911 1.00 13.11 H new ATOM 0 HG22 VAL A 107 8.108 -2.872 5.862 1.00 13.11 H new ATOM 0 HG23 VAL A 107 9.056 -4.374 5.970 1.00 13.11 H new ATOM 1839 N THR A 108 12.066 -4.184 7.014 1.00 71.12 N ATOM 1840 CA THR A 108 12.881 -5.226 6.369 1.00 31.31 C ATOM 1841 C THR A 108 12.178 -6.583 6.518 1.00 43.25 C ATOM 1842 O THR A 108 11.928 -7.288 5.526 1.00 25.42 O ATOM 1843 CB THR A 108 14.315 -5.296 7.002 1.00 2.42 C ATOM 1844 OG1 THR A 108 14.885 -3.982 7.052 1.00 44.15 O ATOM 1845 CG2 THR A 108 15.257 -6.222 6.204 1.00 72.43 C ATOM 0 H THR A 108 12.056 -4.250 8.032 1.00 71.12 H new ATOM 0 HA THR A 108 12.991 -4.978 5.313 1.00 31.31 H new ATOM 0 HB THR A 108 14.208 -5.706 8.006 1.00 2.42 H new ATOM 0 HG1 THR A 108 14.335 -3.366 6.524 1.00 44.15 H new ATOM 0 HG21 THR A 108 16.238 -6.240 6.679 1.00 72.43 H new ATOM 0 HG22 THR A 108 14.845 -7.231 6.185 1.00 72.43 H new ATOM 0 HG23 THR A 108 15.354 -5.850 5.184 1.00 72.43 H new ATOM 1853 N ASP A 109 11.821 -6.910 7.776 1.00 3.53 N ATOM 1854 CA ASP A 109 11.258 -8.216 8.144 1.00 60.10 C ATOM 1855 C ASP A 109 9.809 -8.333 7.676 1.00 34.34 C ATOM 1856 O ASP A 109 9.039 -7.361 7.719 1.00 41.02 O ATOM 1857 CB ASP A 109 11.307 -8.442 9.673 1.00 33.13 C ATOM 1858 CG ASP A 109 12.721 -8.371 10.254 1.00 34.43 C ATOM 1859 OD1 ASP A 109 13.175 -7.262 10.605 1.00 13.44 O ATOM 1860 OD2 ASP A 109 13.387 -9.419 10.361 1.00 11.01 O ATOM 0 H ASP A 109 11.917 -6.271 8.565 1.00 3.53 H new ATOM 0 HA ASP A 109 11.866 -8.975 7.652 1.00 60.10 H new ATOM 0 HB2 ASP A 109 10.683 -7.695 10.163 1.00 33.13 H new ATOM 0 HB3 ASP A 109 10.877 -9.417 9.902 1.00 33.13 H new ATOM 1865 N ASP A 110 9.472 -9.548 7.249 1.00 51.52 N ATOM 1866 CA ASP A 110 8.127 -9.931 6.795 1.00 63.13 C ATOM 1867 C ASP A 110 7.078 -9.804 7.918 1.00 72.03 C ATOM 1868 O ASP A 110 5.931 -9.426 7.665 1.00 5.15 O ATOM 1869 CB ASP A 110 8.176 -11.380 6.251 1.00 23.13 C ATOM 1870 CG ASP A 110 9.251 -11.569 5.155 1.00 71.03 C ATOM 1871 OD1 ASP A 110 9.184 -10.880 4.116 1.00 14.23 O ATOM 1872 OD2 ASP A 110 10.184 -12.378 5.343 1.00 31.21 O ATOM 0 H ASP A 110 10.141 -10.317 7.206 1.00 51.52 H new ATOM 0 HA ASP A 110 7.820 -9.247 6.004 1.00 63.13 H new ATOM 0 HB2 ASP A 110 8.377 -12.066 7.074 1.00 23.13 H new ATOM 0 HB3 ASP A 110 7.199 -11.645 5.846 1.00 23.13 H new ATOM 1877 N GLU A 111 7.499 -10.119 9.162 1.00 53.12 N ATOM 1878 CA GLU A 111 6.645 -10.021 10.365 1.00 53.14 C ATOM 1879 C GLU A 111 6.334 -8.552 10.715 1.00 2.10 C ATOM 1880 O GLU A 111 5.244 -8.249 11.207 1.00 3.01 O ATOM 1881 CB GLU A 111 7.323 -10.734 11.562 1.00 54.13 C ATOM 1882 CG GLU A 111 8.670 -10.119 12.007 1.00 20.32 C ATOM 1883 CD GLU A 111 9.351 -10.928 13.114 1.00 63.30 C ATOM 1884 OE1 GLU A 111 9.016 -10.725 14.297 1.00 65.31 O ATOM 1885 OE2 GLU A 111 10.201 -11.789 12.804 1.00 63.23 O ATOM 0 H GLU A 111 8.443 -10.449 9.360 1.00 53.12 H new ATOM 0 HA GLU A 111 5.699 -10.517 10.149 1.00 53.14 H new ATOM 0 HB2 GLU A 111 6.637 -10.722 12.409 1.00 54.13 H new ATOM 0 HB3 GLU A 111 7.487 -11.779 11.299 1.00 54.13 H new ATOM 0 HG2 GLU A 111 9.337 -10.054 11.147 1.00 20.32 H new ATOM 0 HG3 GLU A 111 8.502 -9.101 12.358 1.00 20.32 H new ATOM 1892 N GLU A 112 7.305 -7.650 10.447 1.00 30.04 N ATOM 1893 CA GLU A 112 7.138 -6.207 10.672 1.00 10.51 C ATOM 1894 C GLU A 112 6.135 -5.632 9.661 1.00 62.11 C ATOM 1895 O GLU A 112 5.316 -4.795 10.018 1.00 64.22 O ATOM 1896 CB GLU A 112 8.502 -5.476 10.581 1.00 65.44 C ATOM 1897 CG GLU A 112 9.555 -5.932 11.615 1.00 51.32 C ATOM 1898 CD GLU A 112 9.158 -5.668 13.079 1.00 65.13 C ATOM 1899 OE1 GLU A 112 8.525 -6.546 13.711 1.00 21.31 O ATOM 1900 OE2 GLU A 112 9.472 -4.572 13.603 1.00 32.25 O ATOM 0 H GLU A 112 8.218 -7.905 10.071 1.00 30.04 H new ATOM 0 HA GLU A 112 6.745 -6.050 11.677 1.00 10.51 H new ATOM 0 HB2 GLU A 112 8.910 -5.622 9.581 1.00 65.44 H new ATOM 0 HB3 GLU A 112 8.333 -4.406 10.704 1.00 65.44 H new ATOM 0 HG2 GLU A 112 9.736 -6.999 11.486 1.00 51.32 H new ATOM 0 HG3 GLU A 112 10.496 -5.422 11.408 1.00 51.32 H new ATOM 1907 N ALA A 113 6.202 -6.127 8.409 1.00 72.00 N ATOM 1908 CA ALA A 113 5.272 -5.734 7.336 1.00 12.51 C ATOM 1909 C ALA A 113 3.826 -6.155 7.664 1.00 32.23 C ATOM 1910 O ALA A 113 2.903 -5.351 7.531 1.00 73.11 O ATOM 1911 CB ALA A 113 5.732 -6.331 5.998 1.00 3.14 C ATOM 0 H ALA A 113 6.901 -6.809 8.115 1.00 72.00 H new ATOM 0 HA ALA A 113 5.281 -4.647 7.254 1.00 12.51 H new ATOM 0 HB1 ALA A 113 5.039 -6.036 5.210 1.00 3.14 H new ATOM 0 HB2 ALA A 113 6.730 -5.964 5.760 1.00 3.14 H new ATOM 0 HB3 ALA A 113 5.754 -7.418 6.073 1.00 3.14 H new ATOM 1917 N LEU A 114 3.659 -7.415 8.134 1.00 11.13 N ATOM 1918 CA LEU A 114 2.350 -7.960 8.568 1.00 43.54 C ATOM 1919 C LEU A 114 1.787 -7.154 9.750 1.00 13.43 C ATOM 1920 O LEU A 114 0.586 -6.917 9.827 1.00 0.51 O ATOM 1921 CB LEU A 114 2.485 -9.456 8.976 1.00 22.21 C ATOM 1922 CG LEU A 114 2.768 -10.460 7.818 1.00 63.04 C ATOM 1923 CD1 LEU A 114 3.035 -11.879 8.362 1.00 0.33 C ATOM 1924 CD2 LEU A 114 1.611 -10.462 6.798 1.00 32.40 C ATOM 0 H LEU A 114 4.427 -8.081 8.223 1.00 11.13 H new ATOM 0 HA LEU A 114 1.662 -7.881 7.726 1.00 43.54 H new ATOM 0 HB2 LEU A 114 3.289 -9.541 9.708 1.00 22.21 H new ATOM 0 HB3 LEU A 114 1.565 -9.760 9.476 1.00 22.21 H new ATOM 0 HG LEU A 114 3.670 -10.131 7.302 1.00 63.04 H new ATOM 0 HD11 LEU A 114 3.229 -12.557 7.531 1.00 0.33 H new ATOM 0 HD12 LEU A 114 3.901 -11.858 9.023 1.00 0.33 H new ATOM 0 HD13 LEU A 114 2.163 -12.226 8.917 1.00 0.33 H new ATOM 0 HD21 LEU A 114 1.831 -11.170 5.999 1.00 32.40 H new ATOM 0 HD22 LEU A 114 0.687 -10.754 7.297 1.00 32.40 H new ATOM 0 HD23 LEU A 114 1.496 -9.464 6.376 1.00 32.40 H new ATOM 1936 N LYS A 115 2.689 -6.741 10.654 1.00 11.31 N ATOM 1937 CA LYS A 115 2.350 -5.949 11.845 1.00 33.45 C ATOM 1938 C LYS A 115 1.824 -4.558 11.447 1.00 5.51 C ATOM 1939 O LYS A 115 0.877 -4.071 12.060 1.00 62.13 O ATOM 1940 CB LYS A 115 3.597 -5.840 12.762 1.00 65.01 C ATOM 1941 CG LYS A 115 3.462 -4.884 13.998 1.00 33.12 C ATOM 1942 CD LYS A 115 4.476 -3.713 13.963 1.00 13.31 C ATOM 1943 CE LYS A 115 5.933 -4.207 13.923 1.00 52.35 C ATOM 1944 NZ LYS A 115 6.912 -3.094 13.953 1.00 11.42 N ATOM 0 H LYS A 115 3.684 -6.950 10.577 1.00 11.31 H new ATOM 0 HA LYS A 115 1.553 -6.450 12.395 1.00 33.45 H new ATOM 0 HB2 LYS A 115 3.844 -6.838 13.125 1.00 65.01 H new ATOM 0 HB3 LYS A 115 4.439 -5.503 12.158 1.00 65.01 H new ATOM 0 HG2 LYS A 115 2.450 -4.481 14.032 1.00 33.12 H new ATOM 0 HG3 LYS A 115 3.607 -5.458 14.913 1.00 33.12 H new ATOM 0 HD2 LYS A 115 4.281 -3.091 13.089 1.00 13.31 H new ATOM 0 HD3 LYS A 115 4.332 -3.083 14.841 1.00 13.31 H new ATOM 0 HE2 LYS A 115 6.113 -4.867 14.771 1.00 52.35 H new ATOM 0 HE3 LYS A 115 6.088 -4.798 13.021 1.00 52.35 H new ATOM 0 HZ1 LYS A 115 7.873 -3.474 13.839 1.00 11.42 H new ATOM 0 HZ2 LYS A 115 6.708 -2.431 13.178 1.00 11.42 H new ATOM 0 HZ3 LYS A 115 6.843 -2.595 14.863 1.00 11.42 H new ATOM 1958 N ILE A 116 2.436 -3.946 10.404 1.00 12.41 N ATOM 1959 CA ILE A 116 1.998 -2.632 9.876 1.00 1.44 C ATOM 1960 C ILE A 116 0.600 -2.752 9.216 1.00 72.24 C ATOM 1961 O ILE A 116 -0.242 -1.855 9.353 1.00 15.41 O ATOM 1962 CB ILE A 116 3.038 -2.025 8.856 1.00 4.42 C ATOM 1963 CG1 ILE A 116 4.449 -1.823 9.506 1.00 21.33 C ATOM 1964 CG2 ILE A 116 2.531 -0.697 8.241 1.00 15.42 C ATOM 1965 CD1 ILE A 116 4.521 -0.828 10.653 1.00 74.11 C ATOM 0 H ILE A 116 3.236 -4.343 9.911 1.00 12.41 H new ATOM 0 HA ILE A 116 1.935 -1.947 10.722 1.00 1.44 H new ATOM 0 HB ILE A 116 3.142 -2.754 8.052 1.00 4.42 H new ATOM 0 HG12 ILE A 116 4.802 -2.789 9.867 1.00 21.33 H new ATOM 0 HG13 ILE A 116 5.142 -1.501 8.729 1.00 21.33 H new ATOM 0 HG21 ILE A 116 3.275 -0.311 7.544 1.00 15.42 H new ATOM 0 HG22 ILE A 116 1.596 -0.875 7.711 1.00 15.42 H new ATOM 0 HG23 ILE A 116 2.365 0.031 9.035 1.00 15.42 H new ATOM 0 HD11 ILE A 116 5.545 -0.772 11.022 1.00 74.11 H new ATOM 0 HD12 ILE A 116 4.208 0.155 10.302 1.00 74.11 H new ATOM 0 HD13 ILE A 116 3.862 -1.153 11.458 1.00 74.11 H new ATOM 1977 N VAL A 117 0.373 -3.880 8.516 1.00 1.53 N ATOM 1978 CA VAL A 117 -0.934 -4.216 7.912 1.00 23.34 C ATOM 1979 C VAL A 117 -2.022 -4.325 9.009 1.00 41.42 C ATOM 1980 O VAL A 117 -3.107 -3.750 8.879 1.00 41.10 O ATOM 1981 CB VAL A 117 -0.832 -5.559 7.082 1.00 42.11 C ATOM 1982 CG1 VAL A 117 -2.212 -6.069 6.601 1.00 4.50 C ATOM 1983 CG2 VAL A 117 0.137 -5.396 5.885 1.00 24.23 C ATOM 0 H VAL A 117 1.091 -4.586 8.352 1.00 1.53 H new ATOM 0 HA VAL A 117 -1.218 -3.416 7.228 1.00 23.34 H new ATOM 0 HB VAL A 117 -0.432 -6.315 7.758 1.00 42.11 H new ATOM 0 HG11 VAL A 117 -2.082 -6.993 6.037 1.00 4.50 H new ATOM 0 HG12 VAL A 117 -2.851 -6.257 7.464 1.00 4.50 H new ATOM 0 HG13 VAL A 117 -2.676 -5.317 5.963 1.00 4.50 H new ATOM 0 HG21 VAL A 117 0.190 -6.333 5.330 1.00 24.23 H new ATOM 0 HG22 VAL A 117 -0.226 -4.605 5.228 1.00 24.23 H new ATOM 0 HG23 VAL A 117 1.129 -5.135 6.253 1.00 24.23 H new ATOM 1993 N ARG A 118 -1.686 -5.031 10.109 1.00 44.34 N ATOM 1994 CA ARG A 118 -2.611 -5.276 11.233 1.00 3.12 C ATOM 1995 C ARG A 118 -2.937 -3.975 11.988 1.00 21.03 C ATOM 1996 O ARG A 118 -4.102 -3.683 12.261 1.00 52.44 O ATOM 1997 CB ARG A 118 -2.014 -6.327 12.213 1.00 51.12 C ATOM 1998 CG ARG A 118 -1.881 -7.749 11.623 1.00 54.21 C ATOM 1999 CD ARG A 118 -1.163 -8.720 12.575 1.00 31.30 C ATOM 2000 NE ARG A 118 -1.092 -10.089 12.030 1.00 41.11 N ATOM 2001 CZ ARG A 118 -0.482 -11.125 12.629 1.00 1.34 C ATOM 2002 NH1 ARG A 118 0.133 -10.972 13.803 1.00 14.00 N ATOM 2003 NH2 ARG A 118 -0.511 -12.321 12.059 1.00 33.21 N ATOM 0 H ARG A 118 -0.764 -5.447 10.242 1.00 44.34 H new ATOM 0 HA ARG A 118 -3.539 -5.666 10.816 1.00 3.12 H new ATOM 0 HB2 ARG A 118 -1.030 -5.987 12.535 1.00 51.12 H new ATOM 0 HB3 ARG A 118 -2.642 -6.374 13.103 1.00 51.12 H new ATOM 0 HG2 ARG A 118 -2.873 -8.138 11.394 1.00 54.21 H new ATOM 0 HG3 ARG A 118 -1.334 -7.698 10.682 1.00 54.21 H new ATOM 0 HD2 ARG A 118 -0.154 -8.356 12.769 1.00 31.30 H new ATOM 0 HD3 ARG A 118 -1.684 -8.739 13.532 1.00 31.30 H new ATOM 0 HE ARG A 118 -1.540 -10.262 11.130 1.00 41.11 H new ATOM 0 HH11 ARG A 118 0.144 -10.059 14.258 1.00 14.00 H new ATOM 0 HH12 ARG A 118 0.592 -11.768 14.246 1.00 14.00 H new ATOM 0 HH21 ARG A 118 -0.995 -12.451 11.170 1.00 33.21 H new ATOM 0 HH22 ARG A 118 -0.050 -13.112 12.509 1.00 33.21 H new ATOM 2017 N GLU A 119 -1.896 -3.201 12.343 1.00 32.43 N ATOM 2018 CA GLU A 119 -2.070 -1.932 13.074 1.00 35.24 C ATOM 2019 C GLU A 119 -2.812 -0.887 12.221 1.00 43.24 C ATOM 2020 O GLU A 119 -3.464 -0.015 12.779 1.00 61.15 O ATOM 2021 CB GLU A 119 -0.721 -1.364 13.582 1.00 1.34 C ATOM 2022 CG GLU A 119 0.222 -0.870 12.481 1.00 10.32 C ATOM 2023 CD GLU A 119 1.492 -0.216 13.023 1.00 25.41 C ATOM 2024 OE1 GLU A 119 2.456 -0.938 13.356 1.00 34.34 O ATOM 2025 OE2 GLU A 119 1.530 1.027 13.136 1.00 61.42 O ATOM 0 H GLU A 119 -0.924 -3.432 12.136 1.00 32.43 H new ATOM 0 HA GLU A 119 -2.683 -2.156 13.947 1.00 35.24 H new ATOM 0 HB2 GLU A 119 -0.924 -0.539 14.265 1.00 1.34 H new ATOM 0 HB3 GLU A 119 -0.211 -2.136 14.158 1.00 1.34 H new ATOM 0 HG2 GLU A 119 0.498 -1.710 11.844 1.00 10.32 H new ATOM 0 HG3 GLU A 119 -0.308 -0.154 11.853 1.00 10.32 H new ATOM 2032 N PHE A 120 -2.717 -0.979 10.867 1.00 44.22 N ATOM 2033 CA PHE A 120 -3.500 -0.101 9.965 1.00 31.04 C ATOM 2034 C PHE A 120 -5.006 -0.271 10.219 1.00 25.34 C ATOM 2035 O PHE A 120 -5.755 0.690 10.125 1.00 5.22 O ATOM 2036 CB PHE A 120 -3.189 -0.360 8.466 1.00 4.31 C ATOM 2037 CG PHE A 120 -4.038 0.498 7.506 1.00 1.54 C ATOM 2038 CD1 PHE A 120 -3.748 1.852 7.311 1.00 55.12 C ATOM 2039 CD2 PHE A 120 -5.152 -0.035 6.837 1.00 75.13 C ATOM 2040 CE1 PHE A 120 -4.534 2.639 6.482 1.00 33.50 C ATOM 2041 CE2 PHE A 120 -5.939 0.759 6.015 1.00 5.22 C ATOM 2042 CZ PHE A 120 -5.627 2.092 5.836 1.00 5.23 C ATOM 0 H PHE A 120 -2.113 -1.644 10.384 1.00 44.22 H new ATOM 0 HA PHE A 120 -3.204 0.923 10.191 1.00 31.04 H new ATOM 0 HB2 PHE A 120 -2.133 -0.161 8.282 1.00 4.31 H new ATOM 0 HB3 PHE A 120 -3.358 -1.414 8.245 1.00 4.31 H new ATOM 0 HD1 PHE A 120 -2.899 2.292 7.813 1.00 55.12 H new ATOM 0 HD2 PHE A 120 -5.400 -1.078 6.964 1.00 75.13 H new ATOM 0 HE1 PHE A 120 -4.291 3.682 6.341 1.00 33.50 H new ATOM 0 HE2 PHE A 120 -6.797 0.334 5.515 1.00 5.22 H new ATOM 0 HZ PHE A 120 -6.237 2.707 5.191 1.00 5.23 H new ATOM 2052 N MET A 121 -5.426 -1.498 10.547 1.00 13.24 N ATOM 2053 CA MET A 121 -6.843 -1.816 10.794 1.00 52.32 C ATOM 2054 C MET A 121 -7.420 -0.989 11.981 1.00 22.03 C ATOM 2055 O MET A 121 -8.616 -0.678 12.003 1.00 23.42 O ATOM 2056 CB MET A 121 -7.033 -3.340 11.025 1.00 73.24 C ATOM 2057 CG MET A 121 -6.318 -4.245 9.993 1.00 42.04 C ATOM 2058 SD MET A 121 -6.694 -3.811 8.286 1.00 3.31 S ATOM 2059 CE MET A 121 -5.719 -4.988 7.345 1.00 13.42 C ATOM 0 H MET A 121 -4.800 -2.297 10.649 1.00 13.24 H new ATOM 0 HA MET A 121 -7.405 -1.535 9.903 1.00 52.32 H new ATOM 0 HB2 MET A 121 -6.669 -3.591 12.021 1.00 73.24 H new ATOM 0 HB3 MET A 121 -8.099 -3.566 11.009 1.00 73.24 H new ATOM 0 HG2 MET A 121 -5.241 -4.181 10.148 1.00 42.04 H new ATOM 0 HG3 MET A 121 -6.605 -5.282 10.169 1.00 42.04 H new ATOM 0 HE1 MET A 121 -5.211 -4.471 6.531 1.00 13.42 H new ATOM 0 HE2 MET A 121 -4.980 -5.452 7.998 1.00 13.42 H new ATOM 0 HE3 MET A 121 -6.374 -5.756 6.934 1.00 13.42 H new ATOM 2069 N GLN A 122 -6.545 -0.629 12.959 1.00 30.23 N ATOM 2070 CA GLN A 122 -6.929 0.208 14.123 1.00 12.33 C ATOM 2071 C GLN A 122 -6.529 1.696 13.930 1.00 45.24 C ATOM 2072 O GLN A 122 -7.086 2.569 14.603 1.00 23.14 O ATOM 2073 CB GLN A 122 -6.324 -0.374 15.433 1.00 12.50 C ATOM 2074 CG GLN A 122 -4.789 -0.277 15.547 1.00 2.30 C ATOM 2075 CD GLN A 122 -4.169 -1.055 16.712 1.00 2.44 C ATOM 2076 OE1 GLN A 122 -3.042 -1.549 16.600 1.00 73.43 O ATOM 2077 NE2 GLN A 122 -4.869 -1.161 17.835 1.00 40.34 N ATOM 0 H GLN A 122 -5.564 -0.909 12.961 1.00 30.23 H new ATOM 0 HA GLN A 122 -8.016 0.184 14.203 1.00 12.33 H new ATOM 0 HB2 GLN A 122 -6.769 0.145 16.282 1.00 12.50 H new ATOM 0 HB3 GLN A 122 -6.613 -1.422 15.513 1.00 12.50 H new ATOM 0 HG2 GLN A 122 -4.349 -0.636 14.617 1.00 2.30 H new ATOM 0 HG3 GLN A 122 -4.514 0.773 15.646 1.00 2.30 H new ATOM 0 HE21 GLN A 122 -5.797 -0.743 17.899 1.00 40.34 H new ATOM 0 HE22 GLN A 122 -4.479 -1.660 18.634 1.00 40.34 H new