USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1152 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 1 MET CE :methyl -141:sc= -1.44 (180deg=-3.16!) USER MOD Set 1.2: A 41 SER OG : rot 85:sc= 1.24 USER MOD Set 2.1: A 9 SER OG : rot 129:sc= 0.22 USER MOD Set 2.2: A 83 TYR OH : rot -88:sc= 1.23 USER MOD Set 2.3: A 85 GLN :FLIP amide:sc= 0.737 F(o=0.052,f=2.2) USER MOD Set 3.1: A 1 MET N :NH3+ -157:sc= 2.68 (180deg=-0.344) USER MOD Set 3.2: A 49 TYR OH : rot 30:sc= 0.521 USER MOD Single : A 2 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.59) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0249 (180deg=-0.214) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= -2.01! (180deg=-2.5!) USER MOD Single : A 24 LYS NZ :NH3+ -112:sc= 0.00886 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 32:sc= 0.514 USER MOD Single : A 34 SER OG : rot 180:sc= -0.189 USER MOD Single : A 36 GLN : amide:sc= 0.0275 K(o=0.028,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.607 (180deg=-4.83!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0.937 (180deg=0.588) USER MOD Single : A 50 ASN : amide:sc= -0.864 K(o=-0.86,f=-9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= -0.0672 (180deg=-0.412) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -13:sc= 0.158 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 94 SER OG : rot 85:sc= -0.171 USER MOD Single : A 106 THR OG1 : rot 31:sc= 0.51 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.596 USER MOD Single : A 114 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0204) USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= -0.0217 (180deg=-0.228) USER MOD Single : A 116 SER OG : rot 74:sc= 0.0981 USER MOD Single : A 126 SER OG : rot 44:sc= 0.698 USER MOD Single : A 129 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.00059) USER MOD Single : A 130 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-2.6!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 133 HIS : no HD1:sc= -0.407 K(o=-0.41,f=-1.4) USER MOD Single : A 134 HIS : no HE2:sc= -0.29 K(o=-0.29,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.933 2.815 8.081 1.00 12.12 N ATOM 2 CA MET A 1 5.992 1.747 7.654 1.00 1.42 C ATOM 3 C MET A 1 4.635 1.906 8.353 1.00 71.14 C ATOM 4 O MET A 1 4.435 1.451 9.473 1.00 64.30 O ATOM 5 CB MET A 1 6.589 0.357 7.932 1.00 45.53 C ATOM 6 CG MET A 1 7.858 0.069 7.138 1.00 71.00 C ATOM 7 SD MET A 1 8.589 -1.535 7.521 1.00 62.44 S ATOM 8 CE MET A 1 8.965 -1.340 9.264 1.00 53.31 C ATOM 0 H1 MET A 1 7.668 2.941 7.356 1.00 12.12 H new ATOM 0 H2 MET A 1 6.413 3.707 8.205 1.00 12.12 H new ATOM 0 H3 MET A 1 7.378 2.546 8.981 1.00 12.12 H new ATOM 0 HA MET A 1 5.833 1.842 6.580 1.00 1.42 H new ATOM 0 HB2 MET A 1 6.809 0.271 8.996 1.00 45.53 H new ATOM 0 HB3 MET A 1 5.843 -0.403 7.698 1.00 45.53 H new ATOM 0 HG2 MET A 1 7.630 0.112 6.073 1.00 71.00 H new ATOM 0 HG3 MET A 1 8.590 0.852 7.339 1.00 71.00 H new ATOM 0 HE1 MET A 1 9.923 -1.811 9.485 1.00 53.31 H new ATOM 0 HE2 MET A 1 9.018 -0.279 9.508 1.00 53.31 H new ATOM 0 HE3 MET A 1 8.183 -1.811 9.860 1.00 53.31 H new ATOM 20 N ASN A 2 3.728 2.600 7.676 1.00 53.40 N ATOM 21 CA ASN A 2 2.361 2.831 8.159 1.00 35.15 C ATOM 22 C ASN A 2 1.454 3.050 6.952 1.00 40.34 C ATOM 23 O ASN A 2 0.380 2.467 6.838 1.00 35.45 O ATOM 24 CB ASN A 2 2.311 4.048 9.094 1.00 21.32 C ATOM 25 CG ASN A 2 0.895 4.378 9.546 1.00 15.02 C ATOM 26 OD1 ASN A 2 0.193 5.155 8.908 1.00 44.44 O ATOM 27 ND2 ASN A 2 0.465 3.789 10.642 1.00 71.25 N ATOM 0 H ASN A 2 3.917 3.024 6.768 1.00 53.40 H new ATOM 0 HA ASN A 2 2.023 1.965 8.728 1.00 35.15 H new ATOM 0 HB2 ASN A 2 2.933 3.856 9.969 1.00 21.32 H new ATOM 0 HB3 ASN A 2 2.737 4.912 8.584 1.00 21.32 H new ATOM 0 HD21 ASN A 2 -0.478 3.974 10.984 1.00 71.25 H new ATOM 0 HD22 ASN A 2 1.075 3.148 11.149 1.00 71.25 H new ATOM 34 N ILE A 3 1.914 3.910 6.049 1.00 53.21 N ATOM 35 CA ILE A 3 1.306 4.035 4.732 1.00 54.34 C ATOM 36 C ILE A 3 1.590 2.767 3.899 1.00 21.32 C ATOM 37 O ILE A 3 2.727 2.511 3.493 1.00 54.15 O ATOM 38 CB ILE A 3 1.820 5.302 3.993 1.00 73.12 C ATOM 39 CG1 ILE A 3 1.247 5.380 2.566 1.00 24.23 C ATOM 40 CG2 ILE A 3 3.349 5.346 3.972 1.00 3.42 C ATOM 41 CD1 ILE A 3 1.688 6.609 1.796 1.00 4.24 C ATOM 0 H ILE A 3 2.707 4.531 6.207 1.00 53.21 H new ATOM 0 HA ILE A 3 0.229 4.141 4.860 1.00 54.34 H new ATOM 0 HB ILE A 3 1.468 6.174 4.544 1.00 73.12 H new ATOM 0 HG12 ILE A 3 1.548 4.490 2.014 1.00 24.23 H new ATOM 0 HG13 ILE A 3 0.158 5.368 2.620 1.00 24.23 H new ATOM 0 HG21 ILE A 3 3.680 6.243 3.449 1.00 3.42 H new ATOM 0 HG22 ILE A 3 3.727 5.362 4.994 1.00 3.42 H new ATOM 0 HG23 ILE A 3 3.731 4.464 3.458 1.00 3.42 H new ATOM 0 HD11 ILE A 3 1.244 6.593 0.801 1.00 4.24 H new ATOM 0 HD12 ILE A 3 1.363 7.505 2.324 1.00 4.24 H new ATOM 0 HD13 ILE A 3 2.774 6.613 1.709 1.00 4.24 H new ATOM 53 N VAL A 4 0.558 1.955 3.695 1.00 22.51 N ATOM 54 CA VAL A 4 0.699 0.681 2.983 1.00 21.15 C ATOM 55 C VAL A 4 0.199 0.790 1.535 1.00 55.34 C ATOM 56 O VAL A 4 -0.979 1.043 1.289 1.00 63.42 O ATOM 57 CB VAL A 4 -0.073 -0.455 3.704 1.00 43.20 C ATOM 58 CG1 VAL A 4 0.070 -1.777 2.948 1.00 45.44 C ATOM 59 CG2 VAL A 4 0.410 -0.601 5.148 1.00 23.43 C ATOM 0 H VAL A 4 -0.391 2.154 4.013 1.00 22.51 H new ATOM 0 HA VAL A 4 1.762 0.441 2.974 1.00 21.15 H new ATOM 0 HB VAL A 4 -1.130 -0.190 3.722 1.00 43.20 H new ATOM 0 HG11 VAL A 4 -0.480 -2.558 3.473 1.00 45.44 H new ATOM 0 HG12 VAL A 4 -0.331 -1.665 1.941 1.00 45.44 H new ATOM 0 HG13 VAL A 4 1.123 -2.051 2.891 1.00 45.44 H new ATOM 0 HG21 VAL A 4 -0.143 -1.403 5.637 1.00 23.43 H new ATOM 0 HG22 VAL A 4 1.474 -0.838 5.154 1.00 23.43 H new ATOM 0 HG23 VAL A 4 0.244 0.334 5.683 1.00 23.43 H new ATOM 69 N ILE A 5 1.105 0.595 0.582 1.00 22.42 N ATOM 70 CA ILE A 5 0.759 0.667 -0.841 1.00 44.03 C ATOM 71 C ILE A 5 0.447 -0.731 -1.408 1.00 14.44 C ATOM 72 O ILE A 5 1.341 -1.559 -1.575 1.00 24.41 O ATOM 73 CB ILE A 5 1.905 1.316 -1.657 1.00 11.45 C ATOM 74 CG1 ILE A 5 2.286 2.680 -1.049 1.00 63.51 C ATOM 75 CG2 ILE A 5 1.499 1.471 -3.126 1.00 33.01 C ATOM 76 CD1 ILE A 5 3.479 3.336 -1.711 1.00 5.41 C ATOM 0 H ILE A 5 2.086 0.385 0.765 1.00 22.42 H new ATOM 0 HA ILE A 5 -0.133 1.287 -0.928 1.00 44.03 H new ATOM 0 HB ILE A 5 2.777 0.663 -1.614 1.00 11.45 H new ATOM 0 HG12 ILE A 5 1.429 3.350 -1.120 1.00 63.51 H new ATOM 0 HG13 ILE A 5 2.499 2.547 0.012 1.00 63.51 H new ATOM 0 HG21 ILE A 5 2.317 1.929 -3.683 1.00 33.01 H new ATOM 0 HG22 ILE A 5 1.277 0.491 -3.547 1.00 33.01 H new ATOM 0 HG23 ILE A 5 0.614 2.104 -3.194 1.00 33.01 H new ATOM 0 HD11 ILE A 5 3.684 4.291 -1.227 1.00 5.41 H new ATOM 0 HD12 ILE A 5 4.350 2.687 -1.617 1.00 5.41 H new ATOM 0 HD13 ILE A 5 3.263 3.503 -2.766 1.00 5.41 H new ATOM 88 N VAL A 6 -0.830 -0.987 -1.687 1.00 42.45 N ATOM 89 CA VAL A 6 -1.270 -2.277 -2.232 1.00 52.12 C ATOM 90 C VAL A 6 -1.309 -2.242 -3.771 1.00 44.41 C ATOM 91 O VAL A 6 -2.188 -1.617 -4.368 1.00 33.43 O ATOM 92 CB VAL A 6 -2.670 -2.666 -1.685 1.00 51.01 C ATOM 93 CG1 VAL A 6 -3.110 -4.026 -2.223 1.00 44.20 C ATOM 94 CG2 VAL A 6 -2.670 -2.664 -0.157 1.00 45.03 C ATOM 0 H VAL A 6 -1.585 -0.316 -1.545 1.00 42.45 H new ATOM 0 HA VAL A 6 -0.547 -3.028 -1.914 1.00 52.12 H new ATOM 0 HB VAL A 6 -3.386 -1.920 -2.030 1.00 51.01 H new ATOM 0 HG11 VAL A 6 -4.094 -4.274 -1.824 1.00 44.20 H new ATOM 0 HG12 VAL A 6 -3.159 -3.988 -3.311 1.00 44.20 H new ATOM 0 HG13 VAL A 6 -2.392 -4.787 -1.918 1.00 44.20 H new ATOM 0 HG21 VAL A 6 -3.660 -2.939 0.207 1.00 45.03 H new ATOM 0 HG22 VAL A 6 -1.936 -3.383 0.208 1.00 45.03 H new ATOM 0 HG23 VAL A 6 -2.414 -1.669 0.206 1.00 45.03 H new ATOM 104 N VAL A 7 -0.350 -2.910 -4.408 1.00 1.12 N ATOM 105 CA VAL A 7 -0.219 -2.887 -5.872 1.00 53.44 C ATOM 106 C VAL A 7 -0.738 -4.181 -6.521 1.00 23.53 C ATOM 107 O VAL A 7 -0.170 -5.256 -6.326 1.00 64.45 O ATOM 108 CB VAL A 7 1.260 -2.666 -6.289 1.00 50.55 C ATOM 109 CG1 VAL A 7 1.418 -2.686 -7.810 1.00 24.44 C ATOM 110 CG2 VAL A 7 1.793 -1.360 -5.704 1.00 11.41 C ATOM 0 H VAL A 7 0.353 -3.478 -3.935 1.00 1.12 H new ATOM 0 HA VAL A 7 -0.830 -2.057 -6.227 1.00 53.44 H new ATOM 0 HB VAL A 7 1.849 -3.490 -5.885 1.00 50.55 H new ATOM 0 HG11 VAL A 7 2.465 -2.528 -8.069 1.00 24.44 H new ATOM 0 HG12 VAL A 7 1.089 -3.650 -8.197 1.00 24.44 H new ATOM 0 HG13 VAL A 7 0.812 -1.893 -8.249 1.00 24.44 H new ATOM 0 HG21 VAL A 7 2.831 -1.222 -6.007 1.00 11.41 H new ATOM 0 HG22 VAL A 7 1.194 -0.526 -6.070 1.00 11.41 H new ATOM 0 HG23 VAL A 7 1.735 -1.398 -4.616 1.00 11.41 H new ATOM 120 N PHE A 8 -1.816 -4.067 -7.301 1.00 5.13 N ATOM 121 CA PHE A 8 -2.373 -5.215 -8.035 1.00 63.14 C ATOM 122 C PHE A 8 -1.639 -5.459 -9.365 1.00 35.12 C ATOM 123 O PHE A 8 -1.710 -6.549 -9.938 1.00 54.40 O ATOM 124 CB PHE A 8 -3.872 -5.009 -8.300 1.00 43.34 C ATOM 125 CG PHE A 8 -4.749 -5.210 -7.088 1.00 72.53 C ATOM 126 CD1 PHE A 8 -4.884 -4.215 -6.130 1.00 54.23 C ATOM 127 CD2 PHE A 8 -5.442 -6.400 -6.911 1.00 63.41 C ATOM 128 CE1 PHE A 8 -5.689 -4.405 -5.024 1.00 60.45 C ATOM 129 CE2 PHE A 8 -6.248 -6.593 -5.805 1.00 61.02 C ATOM 130 CZ PHE A 8 -6.372 -5.594 -4.861 1.00 63.40 C ATOM 0 H PHE A 8 -2.323 -3.193 -7.443 1.00 5.13 H new ATOM 0 HA PHE A 8 -2.233 -6.095 -7.408 1.00 63.14 H new ATOM 0 HB2 PHE A 8 -4.026 -4.000 -8.683 1.00 43.34 H new ATOM 0 HB3 PHE A 8 -4.189 -5.699 -9.082 1.00 43.34 H new ATOM 0 HD1 PHE A 8 -4.354 -3.282 -6.251 1.00 54.23 H new ATOM 0 HD2 PHE A 8 -5.350 -7.185 -7.647 1.00 63.41 H new ATOM 0 HE1 PHE A 8 -5.784 -3.623 -4.286 1.00 60.45 H new ATOM 0 HE2 PHE A 8 -6.780 -7.524 -5.680 1.00 61.02 H new ATOM 0 HZ PHE A 8 -7.002 -5.742 -3.996 1.00 63.40 H new ATOM 140 N SER A 9 -0.951 -4.436 -9.861 1.00 5.11 N ATOM 141 CA SER A 9 -0.152 -4.559 -11.092 1.00 20.14 C ATOM 142 C SER A 9 1.213 -5.190 -10.789 1.00 75.12 C ATOM 143 O SER A 9 2.150 -4.503 -10.388 1.00 73.53 O ATOM 144 CB SER A 9 0.038 -3.189 -11.767 1.00 42.21 C ATOM 145 OG SER A 9 -1.201 -2.650 -12.214 1.00 41.33 O ATOM 0 H SER A 9 -0.926 -3.509 -9.435 1.00 5.11 H new ATOM 0 HA SER A 9 -0.695 -5.208 -11.779 1.00 20.14 H new ATOM 0 HB2 SER A 9 0.504 -2.498 -11.065 1.00 42.21 H new ATOM 0 HB3 SER A 9 0.718 -3.290 -12.613 1.00 42.21 H new ATOM 0 HG SER A 9 -1.294 -1.730 -11.889 1.00 41.33 H new ATOM 151 N THR A 10 1.316 -6.503 -10.987 1.00 13.11 N ATOM 152 CA THR A 10 2.523 -7.262 -10.619 1.00 51.51 C ATOM 153 C THR A 10 3.706 -7.026 -11.577 1.00 40.35 C ATOM 154 O THR A 10 4.775 -7.618 -11.407 1.00 65.35 O ATOM 155 CB THR A 10 2.231 -8.781 -10.554 1.00 33.31 C ATOM 156 OG1 THR A 10 1.786 -9.257 -11.833 1.00 22.30 O ATOM 157 CG2 THR A 10 1.171 -9.090 -9.499 1.00 21.41 C ATOM 0 H THR A 10 0.577 -7.071 -11.402 1.00 13.11 H new ATOM 0 HA THR A 10 2.808 -6.891 -9.634 1.00 51.51 H new ATOM 0 HB THR A 10 3.156 -9.288 -10.279 1.00 33.31 H new ATOM 0 HG1 THR A 10 1.606 -10.219 -11.780 1.00 22.30 H new ATOM 0 HG21 THR A 10 0.985 -10.164 -9.474 1.00 21.41 H new ATOM 0 HG22 THR A 10 1.523 -8.760 -8.522 1.00 21.41 H new ATOM 0 HG23 THR A 10 0.247 -8.567 -9.747 1.00 21.41 H new ATOM 165 N ASP A 11 3.523 -6.163 -12.577 1.00 1.23 N ATOM 166 CA ASP A 11 4.602 -5.826 -13.514 1.00 1.54 C ATOM 167 C ASP A 11 5.707 -5.012 -12.813 1.00 11.50 C ATOM 168 O ASP A 11 5.487 -3.865 -12.411 1.00 32.51 O ATOM 169 CB ASP A 11 4.049 -5.032 -14.700 1.00 12.34 C ATOM 170 CG ASP A 11 2.836 -5.696 -15.328 1.00 44.13 C ATOM 171 OD1 ASP A 11 3.006 -6.615 -16.156 1.00 34.11 O ATOM 172 OD2 ASP A 11 1.700 -5.295 -14.996 1.00 74.01 O ATOM 0 H ASP A 11 2.641 -5.684 -12.761 1.00 1.23 H new ATOM 0 HA ASP A 11 5.034 -6.758 -13.877 1.00 1.54 H new ATOM 0 HB2 ASP A 11 3.779 -4.029 -14.368 1.00 12.34 H new ATOM 0 HB3 ASP A 11 4.829 -4.920 -15.453 1.00 12.34 H new ATOM 177 N GLU A 12 6.896 -5.604 -12.680 1.00 15.22 N ATOM 178 CA GLU A 12 8.009 -4.961 -11.965 1.00 4.42 C ATOM 179 C GLU A 12 8.397 -3.609 -12.587 1.00 45.40 C ATOM 180 O GLU A 12 8.797 -2.687 -11.875 1.00 12.14 O ATOM 181 CB GLU A 12 9.235 -5.888 -11.916 1.00 72.05 C ATOM 182 CG GLU A 12 9.812 -6.244 -13.282 1.00 71.44 C ATOM 183 CD GLU A 12 11.008 -7.179 -13.183 1.00 1.13 C ATOM 184 OE1 GLU A 12 10.803 -8.410 -13.109 1.00 13.32 O ATOM 185 OE2 GLU A 12 12.160 -6.693 -13.170 1.00 53.35 O ATOM 0 H GLU A 12 7.116 -6.526 -13.056 1.00 15.22 H new ATOM 0 HA GLU A 12 7.663 -4.771 -10.949 1.00 4.42 H new ATOM 0 HB2 GLU A 12 10.013 -5.410 -11.320 1.00 72.05 H new ATOM 0 HB3 GLU A 12 8.959 -6.808 -11.401 1.00 72.05 H new ATOM 0 HG2 GLU A 12 9.038 -6.713 -13.889 1.00 71.44 H new ATOM 0 HG3 GLU A 12 10.111 -5.330 -13.796 1.00 71.44 H new ATOM 192 N GLU A 13 8.277 -3.488 -13.912 1.00 35.22 N ATOM 193 CA GLU A 13 8.590 -2.224 -14.595 1.00 60.04 C ATOM 194 C GLU A 13 7.595 -1.117 -14.201 1.00 1.51 C ATOM 195 O GLU A 13 7.975 0.046 -14.043 1.00 43.11 O ATOM 196 CB GLU A 13 8.610 -2.405 -16.120 1.00 44.12 C ATOM 197 CG GLU A 13 7.263 -2.778 -16.733 1.00 4.34 C ATOM 198 CD GLU A 13 7.322 -2.864 -18.249 1.00 5.41 C ATOM 199 OE1 GLU A 13 7.108 -1.834 -18.920 1.00 73.34 O ATOM 200 OE2 GLU A 13 7.602 -3.962 -18.777 1.00 54.34 O ATOM 0 H GLU A 13 7.969 -4.239 -14.530 1.00 35.22 H new ATOM 0 HA GLU A 13 9.586 -1.920 -14.274 1.00 60.04 H new ATOM 0 HB2 GLU A 13 8.959 -1.480 -16.578 1.00 44.12 H new ATOM 0 HB3 GLU A 13 9.336 -3.179 -16.371 1.00 44.12 H new ATOM 0 HG2 GLU A 13 6.936 -3.736 -16.330 1.00 4.34 H new ATOM 0 HG3 GLU A 13 6.517 -2.038 -16.442 1.00 4.34 H new ATOM 207 N THR A 14 6.325 -1.486 -14.037 1.00 42.33 N ATOM 208 CA THR A 14 5.298 -0.552 -13.556 1.00 72.34 C ATOM 209 C THR A 14 5.544 -0.195 -12.088 1.00 23.00 C ATOM 210 O THR A 14 5.431 0.963 -11.685 1.00 12.30 O ATOM 211 CB THR A 14 3.874 -1.143 -13.705 1.00 23.03 C ATOM 212 OG1 THR A 14 3.632 -1.486 -15.076 1.00 2.42 O ATOM 213 CG2 THR A 14 2.807 -0.160 -13.233 1.00 15.22 C ATOM 0 H THR A 14 5.979 -2.426 -14.230 1.00 42.33 H new ATOM 0 HA THR A 14 5.366 0.346 -14.170 1.00 72.34 H new ATOM 0 HB THR A 14 3.816 -2.035 -13.081 1.00 23.03 H new ATOM 0 HG1 THR A 14 2.731 -1.861 -15.165 1.00 2.42 H new ATOM 0 HG21 THR A 14 1.821 -0.609 -13.352 1.00 15.22 H new ATOM 0 HG22 THR A 14 2.972 0.079 -12.183 1.00 15.22 H new ATOM 0 HG23 THR A 14 2.865 0.752 -13.827 1.00 15.22 H new ATOM 221 N LEU A 15 5.894 -1.202 -11.292 1.00 52.44 N ATOM 222 CA LEU A 15 6.257 -0.991 -9.888 1.00 65.31 C ATOM 223 C LEU A 15 7.518 -0.113 -9.771 1.00 72.42 C ATOM 224 O LEU A 15 7.688 0.630 -8.802 1.00 14.24 O ATOM 225 CB LEU A 15 6.481 -2.343 -9.195 1.00 62.01 C ATOM 226 CG LEU A 15 6.820 -2.276 -7.695 1.00 70.34 C ATOM 227 CD1 LEU A 15 5.678 -1.640 -6.902 1.00 21.41 C ATOM 228 CD2 LEU A 15 7.144 -3.668 -7.156 1.00 53.24 C ATOM 0 H LEU A 15 5.935 -2.176 -11.594 1.00 52.44 H new ATOM 0 HA LEU A 15 5.436 -0.470 -9.394 1.00 65.31 H new ATOM 0 HB2 LEU A 15 5.582 -2.947 -9.319 1.00 62.01 H new ATOM 0 HB3 LEU A 15 7.289 -2.864 -9.708 1.00 62.01 H new ATOM 0 HG LEU A 15 7.702 -1.647 -7.575 1.00 70.34 H new ATOM 0 HD11 LEU A 15 5.944 -1.605 -5.846 1.00 21.41 H new ATOM 0 HD12 LEU A 15 5.502 -0.628 -7.266 1.00 21.41 H new ATOM 0 HD13 LEU A 15 4.772 -2.233 -7.029 1.00 21.41 H new ATOM 0 HD21 LEU A 15 7.381 -3.601 -6.094 1.00 53.24 H new ATOM 0 HD22 LEU A 15 6.283 -4.321 -7.295 1.00 53.24 H new ATOM 0 HD23 LEU A 15 8.000 -4.076 -7.694 1.00 53.24 H new ATOM 240 N ARG A 16 8.393 -0.199 -10.774 1.00 31.21 N ATOM 241 CA ARG A 16 9.609 0.621 -10.822 1.00 62.35 C ATOM 242 C ARG A 16 9.270 2.122 -10.787 1.00 0.45 C ATOM 243 O ARG A 16 10.024 2.920 -10.231 1.00 73.42 O ATOM 244 CB ARG A 16 10.436 0.272 -12.071 1.00 53.23 C ATOM 245 CG ARG A 16 11.770 1.009 -12.172 1.00 30.52 C ATOM 246 CD ARG A 16 12.638 0.456 -13.301 1.00 22.30 C ATOM 247 NE ARG A 16 11.992 0.573 -14.610 1.00 20.33 N ATOM 248 CZ ARG A 16 11.984 -0.366 -15.521 1.00 70.42 C ATOM 249 NH1 ARG A 16 12.616 -1.482 -15.332 1.00 54.24 N ATOM 250 NH2 ARG A 16 11.346 -0.174 -16.630 1.00 12.43 N ATOM 0 H ARG A 16 8.283 -0.830 -11.568 1.00 31.21 H new ATOM 0 HA ARG A 16 10.207 0.400 -9.938 1.00 62.35 H new ATOM 0 HB2 ARG A 16 10.627 -0.801 -12.077 1.00 53.23 H new ATOM 0 HB3 ARG A 16 9.843 0.496 -12.958 1.00 53.23 H new ATOM 0 HG2 ARG A 16 11.587 2.070 -12.340 1.00 30.52 H new ATOM 0 HG3 ARG A 16 12.305 0.924 -11.226 1.00 30.52 H new ATOM 0 HD2 ARG A 16 13.589 0.989 -13.319 1.00 22.30 H new ATOM 0 HD3 ARG A 16 12.864 -0.592 -13.102 1.00 22.30 H new ATOM 0 HE ARG A 16 11.515 1.448 -14.827 1.00 20.33 H new ATOM 0 HH11 ARG A 16 13.129 -1.637 -14.464 1.00 54.24 H new ATOM 0 HH12 ARG A 16 12.601 -2.205 -16.051 1.00 54.24 H new ATOM 0 HH21 ARG A 16 10.854 0.705 -16.790 1.00 12.43 H new ATOM 0 HH22 ARG A 16 11.335 -0.902 -17.345 1.00 12.43 H new ATOM 264 N LYS A 17 8.124 2.496 -11.370 1.00 20.15 N ATOM 265 CA LYS A 17 7.615 3.873 -11.266 1.00 51.31 C ATOM 266 C LYS A 17 7.471 4.281 -9.794 1.00 4.34 C ATOM 267 O LYS A 17 8.078 5.248 -9.336 1.00 62.44 O ATOM 268 CB LYS A 17 6.243 4.019 -11.960 1.00 4.24 C ATOM 269 CG LYS A 17 6.290 4.174 -13.480 1.00 53.42 C ATOM 270 CD LYS A 17 6.756 2.908 -14.187 1.00 14.31 C ATOM 271 CE LYS A 17 6.763 3.081 -15.702 1.00 13.32 C ATOM 272 NZ LYS A 17 7.686 4.165 -16.135 1.00 62.51 N ATOM 0 H LYS A 17 7.533 1.869 -11.916 1.00 20.15 H new ATOM 0 HA LYS A 17 8.335 4.524 -11.763 1.00 51.31 H new ATOM 0 HB2 LYS A 17 5.638 3.145 -11.720 1.00 4.24 H new ATOM 0 HB3 LYS A 17 5.732 4.885 -11.539 1.00 4.24 H new ATOM 0 HG2 LYS A 17 5.299 4.444 -13.844 1.00 53.42 H new ATOM 0 HG3 LYS A 17 6.959 4.995 -13.737 1.00 53.42 H new ATOM 0 HD2 LYS A 17 7.758 2.648 -13.845 1.00 14.31 H new ATOM 0 HD3 LYS A 17 6.102 2.079 -13.918 1.00 14.31 H new ATOM 0 HE2 LYS A 17 7.059 2.143 -16.173 1.00 13.32 H new ATOM 0 HE3 LYS A 17 5.753 3.306 -16.046 1.00 13.32 H new ATOM 0 HZ1 LYS A 17 7.818 4.118 -17.166 1.00 62.51 H new ATOM 0 HZ2 LYS A 17 7.281 5.088 -15.880 1.00 62.51 H new ATOM 0 HZ3 LYS A 17 8.605 4.047 -15.663 1.00 62.51 H new ATOM 286 N PHE A 18 6.666 3.511 -9.062 1.00 44.41 N ATOM 287 CA PHE A 18 6.386 3.781 -7.647 1.00 1.22 C ATOM 288 C PHE A 18 7.670 3.797 -6.810 1.00 25.40 C ATOM 289 O PHE A 18 7.897 4.714 -6.021 1.00 1.13 O ATOM 290 CB PHE A 18 5.416 2.726 -7.098 1.00 61.41 C ATOM 291 CG PHE A 18 4.074 2.729 -7.789 1.00 54.24 C ATOM 292 CD1 PHE A 18 3.912 2.130 -9.033 1.00 24.21 C ATOM 293 CD2 PHE A 18 2.976 3.341 -7.203 1.00 15.23 C ATOM 294 CE1 PHE A 18 2.686 2.144 -9.670 1.00 12.41 C ATOM 295 CE2 PHE A 18 1.749 3.354 -7.837 1.00 33.52 C ATOM 296 CZ PHE A 18 1.605 2.756 -9.071 1.00 54.45 C ATOM 0 H PHE A 18 6.191 2.686 -9.428 1.00 44.41 H new ATOM 0 HA PHE A 18 5.931 4.769 -7.578 1.00 1.22 H new ATOM 0 HB2 PHE A 18 5.867 1.739 -7.201 1.00 61.41 H new ATOM 0 HB3 PHE A 18 5.268 2.899 -6.032 1.00 61.41 H new ATOM 0 HD1 PHE A 18 4.754 1.648 -9.507 1.00 24.21 H new ATOM 0 HD2 PHE A 18 3.082 3.814 -6.238 1.00 15.23 H new ATOM 0 HE1 PHE A 18 2.574 1.676 -10.637 1.00 12.41 H new ATOM 0 HE2 PHE A 18 0.903 3.832 -7.366 1.00 33.52 H new ATOM 0 HZ PHE A 18 0.646 2.767 -9.568 1.00 54.45 H new ATOM 306 N LYS A 19 8.508 2.779 -6.991 1.00 21.13 N ATOM 307 CA LYS A 19 9.775 2.688 -6.265 1.00 64.42 C ATOM 308 C LYS A 19 10.672 3.905 -6.541 1.00 23.01 C ATOM 309 O LYS A 19 11.314 4.434 -5.633 1.00 60.12 O ATOM 310 CB LYS A 19 10.523 1.398 -6.634 1.00 24.22 C ATOM 311 CG LYS A 19 9.777 0.119 -6.255 1.00 20.22 C ATOM 312 CD LYS A 19 10.644 -1.126 -6.436 1.00 54.43 C ATOM 313 CE LYS A 19 11.022 -1.367 -7.894 1.00 61.11 C ATOM 314 NZ LYS A 19 11.974 -2.501 -8.042 1.00 23.33 N ATOM 0 H LYS A 19 8.334 2.006 -7.633 1.00 21.13 H new ATOM 0 HA LYS A 19 9.537 2.671 -5.201 1.00 64.42 H new ATOM 0 HB2 LYS A 19 10.710 1.393 -7.708 1.00 24.22 H new ATOM 0 HB3 LYS A 19 11.495 1.400 -6.141 1.00 24.22 H new ATOM 0 HG2 LYS A 19 9.449 0.185 -5.217 1.00 20.22 H new ATOM 0 HG3 LYS A 19 8.880 0.028 -6.867 1.00 20.22 H new ATOM 0 HD2 LYS A 19 11.551 -1.023 -5.841 1.00 54.43 H new ATOM 0 HD3 LYS A 19 10.110 -1.996 -6.054 1.00 54.43 H new ATOM 0 HE2 LYS A 19 10.121 -1.571 -8.473 1.00 61.11 H new ATOM 0 HE3 LYS A 19 11.468 -0.462 -8.307 1.00 61.11 H new ATOM 0 HZ1 LYS A 19 12.205 -2.631 -9.048 1.00 23.33 H new ATOM 0 HZ2 LYS A 19 12.844 -2.295 -7.511 1.00 23.33 H new ATOM 0 HZ3 LYS A 19 11.539 -3.370 -7.671 1.00 23.33 H new ATOM 328 N ASP A 20 10.708 4.349 -7.796 1.00 40.10 N ATOM 329 CA ASP A 20 11.532 5.495 -8.182 1.00 40.53 C ATOM 330 C ASP A 20 11.003 6.798 -7.562 1.00 1.03 C ATOM 331 O ASP A 20 11.780 7.613 -7.054 1.00 70.40 O ATOM 332 CB ASP A 20 11.598 5.606 -9.708 1.00 71.02 C ATOM 333 CG ASP A 20 12.662 6.583 -10.172 1.00 3.22 C ATOM 334 OD1 ASP A 20 13.793 6.529 -9.643 1.00 41.54 O ATOM 335 OD2 ASP A 20 12.380 7.403 -11.072 1.00 1.10 O ATOM 0 H ASP A 20 10.178 3.934 -8.562 1.00 40.10 H new ATOM 0 HA ASP A 20 12.540 5.335 -7.798 1.00 40.53 H new ATOM 0 HB2 ASP A 20 11.802 4.623 -10.132 1.00 71.02 H new ATOM 0 HB3 ASP A 20 10.627 5.923 -10.089 1.00 71.02 H new ATOM 340 N ILE A 21 9.683 6.980 -7.592 1.00 21.34 N ATOM 341 CA ILE A 21 9.043 8.145 -6.966 1.00 51.43 C ATOM 342 C ILE A 21 9.373 8.217 -5.464 1.00 13.41 C ATOM 343 O ILE A 21 9.853 9.240 -4.971 1.00 13.30 O ATOM 344 CB ILE A 21 7.499 8.108 -7.150 1.00 13.33 C ATOM 345 CG1 ILE A 21 7.127 8.155 -8.644 1.00 24.13 C ATOM 346 CG2 ILE A 21 6.831 9.259 -6.393 1.00 75.25 C ATOM 347 CD1 ILE A 21 5.640 8.021 -8.911 1.00 14.22 C ATOM 0 H ILE A 21 9.032 6.337 -8.043 1.00 21.34 H new ATOM 0 HA ILE A 21 9.438 9.031 -7.463 1.00 51.43 H new ATOM 0 HB ILE A 21 7.132 7.170 -6.734 1.00 13.33 H new ATOM 0 HG12 ILE A 21 7.479 9.096 -9.067 1.00 24.13 H new ATOM 0 HG13 ILE A 21 7.653 7.355 -9.165 1.00 24.13 H new ATOM 0 HG21 ILE A 21 5.752 9.211 -6.537 1.00 75.25 H new ATOM 0 HG22 ILE A 21 7.059 9.176 -5.330 1.00 75.25 H new ATOM 0 HG23 ILE A 21 7.206 10.210 -6.772 1.00 75.25 H new ATOM 0 HD11 ILE A 21 5.458 8.063 -9.985 1.00 14.22 H new ATOM 0 HD12 ILE A 21 5.285 7.068 -8.520 1.00 14.22 H new ATOM 0 HD13 ILE A 21 5.107 8.836 -8.420 1.00 14.22 H new ATOM 359 N ILE A 22 9.135 7.114 -4.753 1.00 44.15 N ATOM 360 CA ILE A 22 9.405 7.035 -3.311 1.00 60.11 C ATOM 361 C ILE A 22 10.868 7.397 -2.981 1.00 51.10 C ATOM 362 O ILE A 22 11.139 8.139 -2.031 1.00 24.02 O ATOM 363 CB ILE A 22 9.078 5.621 -2.761 1.00 12.22 C ATOM 364 CG1 ILE A 22 7.577 5.315 -2.934 1.00 42.11 C ATOM 365 CG2 ILE A 22 9.485 5.492 -1.292 1.00 32.11 C ATOM 366 CD1 ILE A 22 7.172 3.928 -2.474 1.00 64.41 C ATOM 0 H ILE A 22 8.753 6.257 -5.152 1.00 44.15 H new ATOM 0 HA ILE A 22 8.756 7.765 -2.827 1.00 60.11 H new ATOM 0 HB ILE A 22 9.654 4.893 -3.333 1.00 12.22 H new ATOM 0 HG12 ILE A 22 7.000 6.054 -2.378 1.00 42.11 H new ATOM 0 HG13 ILE A 22 7.312 5.429 -3.985 1.00 42.11 H new ATOM 0 HG21 ILE A 22 9.244 4.491 -0.934 1.00 32.11 H new ATOM 0 HG22 ILE A 22 10.557 5.663 -1.195 1.00 32.11 H new ATOM 0 HG23 ILE A 22 8.945 6.229 -0.699 1.00 32.11 H new ATOM 0 HD11 ILE A 22 6.102 3.791 -2.629 1.00 64.41 H new ATOM 0 HD12 ILE A 22 7.720 3.180 -3.047 1.00 64.41 H new ATOM 0 HD13 ILE A 22 7.403 3.814 -1.415 1.00 64.41 H new ATOM 378 N LYS A 23 11.808 6.881 -3.777 1.00 61.23 N ATOM 379 CA LYS A 23 13.233 7.201 -3.597 1.00 64.54 C ATOM 380 C LYS A 23 13.497 8.706 -3.789 1.00 52.10 C ATOM 381 O LYS A 23 14.310 9.303 -3.075 1.00 1.33 O ATOM 382 CB LYS A 23 14.100 6.386 -4.572 1.00 54.32 C ATOM 383 CG LYS A 23 14.057 4.879 -4.327 1.00 30.42 C ATOM 384 CD LYS A 23 14.969 4.097 -5.281 1.00 62.42 C ATOM 385 CE LYS A 23 14.530 4.198 -6.745 1.00 52.31 C ATOM 386 NZ LYS A 23 14.962 5.470 -7.389 1.00 41.43 N ATOM 0 H LYS A 23 11.613 6.243 -4.549 1.00 61.23 H new ATOM 0 HA LYS A 23 13.504 6.934 -2.575 1.00 64.54 H new ATOM 0 HB2 LYS A 23 13.771 6.588 -5.591 1.00 54.32 H new ATOM 0 HB3 LYS A 23 15.133 6.727 -4.497 1.00 54.32 H new ATOM 0 HG2 LYS A 23 14.353 4.674 -3.298 1.00 30.42 H new ATOM 0 HG3 LYS A 23 13.032 4.526 -4.440 1.00 30.42 H new ATOM 0 HD2 LYS A 23 15.989 4.469 -5.187 1.00 62.42 H new ATOM 0 HD3 LYS A 23 14.984 3.049 -4.983 1.00 62.42 H new ATOM 0 HE2 LYS A 23 14.941 3.356 -7.302 1.00 52.31 H new ATOM 0 HE3 LYS A 23 13.444 4.118 -6.801 1.00 52.31 H new ATOM 0 HZ1 LYS A 23 14.132 5.963 -7.775 1.00 41.43 H new ATOM 0 HZ2 LYS A 23 15.427 6.076 -6.683 1.00 41.43 H new ATOM 0 HZ3 LYS A 23 15.629 5.260 -8.159 1.00 41.43 H new ATOM 400 N LYS A 24 12.803 9.315 -4.749 1.00 31.35 N ATOM 401 CA LYS A 24 12.912 10.759 -4.988 1.00 35.52 C ATOM 402 C LYS A 24 12.259 11.564 -3.854 1.00 43.33 C ATOM 403 O LYS A 24 12.708 12.660 -3.515 1.00 3.24 O ATOM 404 CB LYS A 24 12.271 11.117 -6.333 1.00 12.05 C ATOM 405 CG LYS A 24 13.019 10.547 -7.532 1.00 54.32 C ATOM 406 CD LYS A 24 12.303 10.852 -8.844 1.00 3.50 C ATOM 407 CE LYS A 24 13.106 10.371 -10.045 1.00 64.24 C ATOM 408 NZ LYS A 24 12.374 10.573 -11.320 1.00 4.30 N ATOM 0 H LYS A 24 12.158 8.834 -5.376 1.00 31.35 H new ATOM 0 HA LYS A 24 13.970 11.020 -5.015 1.00 35.52 H new ATOM 0 HB2 LYS A 24 11.245 10.750 -6.347 1.00 12.05 H new ATOM 0 HB3 LYS A 24 12.223 12.202 -6.427 1.00 12.05 H new ATOM 0 HG2 LYS A 24 14.026 10.962 -7.563 1.00 54.32 H new ATOM 0 HG3 LYS A 24 13.122 9.468 -7.417 1.00 54.32 H new ATOM 0 HD2 LYS A 24 11.324 10.373 -8.845 1.00 3.50 H new ATOM 0 HD3 LYS A 24 12.133 11.926 -8.925 1.00 3.50 H new ATOM 0 HE2 LYS A 24 14.056 10.905 -10.084 1.00 64.24 H new ATOM 0 HE3 LYS A 24 13.340 9.313 -9.925 1.00 64.24 H new ATOM 0 HZ1 LYS A 24 12.113 9.649 -11.721 1.00 4.30 H new ATOM 0 HZ2 LYS A 24 11.513 11.128 -11.142 1.00 4.30 H new ATOM 0 HZ3 LYS A 24 12.982 11.083 -11.992 1.00 4.30 H new ATOM 422 N ASN A 25 11.200 11.009 -3.270 1.00 51.34 N ATOM 423 CA ASN A 25 10.552 11.611 -2.099 1.00 50.42 C ATOM 424 C ASN A 25 11.470 11.553 -0.866 1.00 71.33 C ATOM 425 O ASN A 25 11.278 12.290 0.103 1.00 14.33 O ATOM 426 CB ASN A 25 9.226 10.898 -1.802 1.00 32.55 C ATOM 427 CG ASN A 25 8.208 11.056 -2.922 1.00 41.10 C ATOM 428 OD1 ASN A 25 7.456 10.137 -3.223 1.00 31.35 O ATOM 429 ND2 ASN A 25 8.146 12.227 -3.525 1.00 2.22 N ATOM 0 H ASN A 25 10.768 10.141 -3.587 1.00 51.34 H new ATOM 0 HA ASN A 25 10.352 12.658 -2.325 1.00 50.42 H new ATOM 0 HB2 ASN A 25 9.418 9.838 -1.638 1.00 32.55 H new ATOM 0 HB3 ASN A 25 8.806 11.293 -0.877 1.00 32.55 H new ATOM 0 HD21 ASN A 25 7.459 12.385 -4.262 1.00 2.22 H new ATOM 0 HD22 ASN A 25 8.785 12.975 -3.254 1.00 2.22 H new ATOM 436 N GLY A 26 12.462 10.664 -0.911 1.00 63.43 N ATOM 437 CA GLY A 26 13.443 10.565 0.165 1.00 61.03 C ATOM 438 C GLY A 26 13.272 9.325 1.038 1.00 70.43 C ATOM 439 O GLY A 26 14.001 9.144 2.015 1.00 42.22 O ATOM 0 H GLY A 26 12.606 10.006 -1.677 1.00 63.43 H new ATOM 0 HA2 GLY A 26 14.444 10.559 -0.267 1.00 61.03 H new ATOM 0 HA3 GLY A 26 13.372 11.453 0.793 1.00 61.03 H new ATOM 443 N PHE A 27 12.325 8.461 0.682 1.00 63.33 N ATOM 444 CA PHE A 27 12.025 7.265 1.482 1.00 21.43 C ATOM 445 C PHE A 27 12.602 5.988 0.845 1.00 65.12 C ATOM 446 O PHE A 27 13.085 6.003 -0.290 1.00 1.12 O ATOM 447 CB PHE A 27 10.508 7.125 1.661 1.00 51.13 C ATOM 448 CG PHE A 27 9.863 8.321 2.319 1.00 24.24 C ATOM 449 CD1 PHE A 27 9.776 8.410 3.701 1.00 14.34 C ATOM 450 CD2 PHE A 27 9.348 9.357 1.552 1.00 10.13 C ATOM 451 CE1 PHE A 27 9.189 9.506 4.303 1.00 73.34 C ATOM 452 CE2 PHE A 27 8.760 10.454 2.150 1.00 30.11 C ATOM 453 CZ PHE A 27 8.680 10.530 3.527 1.00 44.24 C ATOM 0 H PHE A 27 11.749 8.562 -0.154 1.00 63.33 H new ATOM 0 HA PHE A 27 12.499 7.389 2.455 1.00 21.43 H new ATOM 0 HB2 PHE A 27 10.049 6.966 0.685 1.00 51.13 H new ATOM 0 HB3 PHE A 27 10.302 6.237 2.259 1.00 51.13 H new ATOM 0 HD1 PHE A 27 10.172 7.613 4.313 1.00 14.34 H new ATOM 0 HD2 PHE A 27 9.408 9.304 0.475 1.00 10.13 H new ATOM 0 HE1 PHE A 27 9.128 9.563 5.380 1.00 73.34 H new ATOM 0 HE2 PHE A 27 8.363 11.253 1.541 1.00 30.11 H new ATOM 0 HZ PHE A 27 8.221 11.388 3.996 1.00 44.24 H new ATOM 463 N LYS A 28 12.551 4.886 1.591 1.00 63.25 N ATOM 464 CA LYS A 28 13.062 3.591 1.121 1.00 31.43 C ATOM 465 C LYS A 28 11.921 2.568 0.982 1.00 23.00 C ATOM 466 O LYS A 28 11.024 2.504 1.823 1.00 40.42 O ATOM 467 CB LYS A 28 14.143 3.080 2.087 1.00 42.32 C ATOM 468 CG LYS A 28 15.281 4.080 2.286 1.00 51.03 C ATOM 469 CD LYS A 28 16.337 3.583 3.271 1.00 51.35 C ATOM 470 CE LYS A 28 17.408 4.642 3.513 1.00 62.32 C ATOM 471 NZ LYS A 28 18.479 4.160 4.421 1.00 52.21 N ATOM 0 H LYS A 28 12.158 4.860 2.532 1.00 63.25 H new ATOM 0 HA LYS A 28 13.506 3.724 0.134 1.00 31.43 H new ATOM 0 HB2 LYS A 28 13.686 2.860 3.052 1.00 42.32 H new ATOM 0 HB3 LYS A 28 14.551 2.144 1.706 1.00 42.32 H new ATOM 0 HG2 LYS A 28 15.753 4.283 1.325 1.00 51.03 H new ATOM 0 HG3 LYS A 28 14.871 5.024 2.645 1.00 51.03 H new ATOM 0 HD2 LYS A 28 15.862 3.320 4.216 1.00 51.35 H new ATOM 0 HD3 LYS A 28 16.800 2.675 2.884 1.00 51.35 H new ATOM 0 HE2 LYS A 28 17.847 4.936 2.560 1.00 62.32 H new ATOM 0 HE3 LYS A 28 16.946 5.532 3.939 1.00 62.32 H new ATOM 0 HZ1 LYS A 28 19.184 4.912 4.556 1.00 52.21 H new ATOM 0 HZ2 LYS A 28 18.066 3.903 5.340 1.00 52.21 H new ATOM 0 HZ3 LYS A 28 18.939 3.326 4.003 1.00 52.21 H new ATOM 485 N VAL A 29 11.965 1.763 -0.081 1.00 53.03 N ATOM 486 CA VAL A 29 10.851 0.869 -0.432 1.00 22.13 C ATOM 487 C VAL A 29 11.046 -0.571 0.086 1.00 13.41 C ATOM 488 O VAL A 29 12.122 -1.159 -0.058 1.00 42.32 O ATOM 489 CB VAL A 29 10.657 0.815 -1.970 1.00 11.41 C ATOM 490 CG1 VAL A 29 9.423 -0.009 -2.340 1.00 35.04 C ATOM 491 CG2 VAL A 29 10.569 2.222 -2.555 1.00 14.41 C ATOM 0 H VAL A 29 12.760 1.709 -0.717 1.00 53.03 H new ATOM 0 HA VAL A 29 9.969 1.288 0.053 1.00 22.13 H new ATOM 0 HB VAL A 29 11.528 0.323 -2.402 1.00 11.41 H new ATOM 0 HG11 VAL A 29 9.311 -0.030 -3.424 1.00 35.04 H new ATOM 0 HG12 VAL A 29 9.540 -1.027 -1.967 1.00 35.04 H new ATOM 0 HG13 VAL A 29 8.537 0.442 -1.893 1.00 35.04 H new ATOM 0 HG21 VAL A 29 10.433 2.159 -3.635 1.00 14.41 H new ATOM 0 HG22 VAL A 29 9.723 2.748 -2.113 1.00 14.41 H new ATOM 0 HG23 VAL A 29 11.488 2.765 -2.336 1.00 14.41 H new ATOM 501 N ARG A 30 9.994 -1.130 0.690 1.00 11.15 N ATOM 502 CA ARG A 30 9.956 -2.558 1.046 1.00 54.41 C ATOM 503 C ARG A 30 8.845 -3.286 0.272 1.00 21.30 C ATOM 504 O ARG A 30 7.673 -3.218 0.640 1.00 22.42 O ATOM 505 CB ARG A 30 9.744 -2.749 2.560 1.00 31.10 C ATOM 506 CG ARG A 30 10.980 -2.455 3.403 1.00 74.34 C ATOM 507 CD ARG A 30 12.178 -3.299 2.967 1.00 34.30 C ATOM 508 NE ARG A 30 11.887 -4.738 2.980 1.00 34.11 N ATOM 509 CZ ARG A 30 12.460 -5.612 2.191 1.00 30.33 C ATOM 510 NH1 ARG A 30 13.327 -5.233 1.305 1.00 20.41 N ATOM 511 NH2 ARG A 30 12.154 -6.868 2.281 1.00 2.42 N ATOM 0 H ARG A 30 9.151 -0.615 0.945 1.00 11.15 H new ATOM 0 HA ARG A 30 10.919 -2.988 0.772 1.00 54.41 H new ATOM 0 HB2 ARG A 30 8.931 -2.100 2.887 1.00 31.10 H new ATOM 0 HB3 ARG A 30 9.427 -3.775 2.745 1.00 31.10 H new ATOM 0 HG2 ARG A 30 11.232 -1.398 3.323 1.00 74.34 H new ATOM 0 HG3 ARG A 30 10.760 -2.651 4.452 1.00 74.34 H new ATOM 0 HD2 ARG A 30 12.481 -3.002 1.963 1.00 34.30 H new ATOM 0 HD3 ARG A 30 13.021 -3.096 3.628 1.00 34.30 H new ATOM 0 HE ARG A 30 11.194 -5.079 3.646 1.00 34.11 H new ATOM 0 HH11 ARG A 30 13.569 -4.246 1.218 1.00 20.41 H new ATOM 0 HH12 ARG A 30 13.768 -5.922 0.695 1.00 20.41 H new ATOM 0 HH21 ARG A 30 11.466 -7.177 2.967 1.00 2.42 H new ATOM 0 HH22 ARG A 30 12.601 -7.547 1.666 1.00 2.42 H new ATOM 525 N THR A 31 9.217 -3.974 -0.804 1.00 21.35 N ATOM 526 CA THR A 31 8.249 -4.717 -1.625 1.00 62.41 C ATOM 527 C THR A 31 7.930 -6.093 -1.021 1.00 3.44 C ATOM 528 O THR A 31 8.749 -7.013 -1.069 1.00 62.14 O ATOM 529 CB THR A 31 8.758 -4.905 -3.076 1.00 33.40 C ATOM 530 OG1 THR A 31 10.029 -5.577 -3.075 1.00 42.33 O ATOM 531 CG2 THR A 31 8.890 -3.559 -3.785 1.00 52.24 C ATOM 0 H THR A 31 10.181 -4.036 -1.133 1.00 21.35 H new ATOM 0 HA THR A 31 7.338 -4.119 -1.642 1.00 62.41 H new ATOM 0 HB THR A 31 8.030 -5.513 -3.613 1.00 33.40 H new ATOM 0 HG1 THR A 31 10.071 -6.196 -2.317 1.00 42.33 H new ATOM 0 HG21 THR A 31 9.249 -3.717 -4.802 1.00 52.24 H new ATOM 0 HG22 THR A 31 7.918 -3.067 -3.816 1.00 52.24 H new ATOM 0 HG23 THR A 31 9.598 -2.931 -3.244 1.00 52.24 H new ATOM 539 N VAL A 32 6.733 -6.222 -0.452 1.00 50.11 N ATOM 540 CA VAL A 32 6.294 -7.473 0.176 1.00 42.35 C ATOM 541 C VAL A 32 5.964 -8.549 -0.870 1.00 25.50 C ATOM 542 O VAL A 32 5.261 -8.289 -1.848 1.00 50.41 O ATOM 543 CB VAL A 32 5.049 -7.229 1.073 1.00 71.54 C ATOM 544 CG1 VAL A 32 4.498 -8.541 1.636 1.00 14.02 C ATOM 545 CG2 VAL A 32 5.389 -6.258 2.201 1.00 44.23 C ATOM 0 H VAL A 32 6.043 -5.472 -0.412 1.00 50.11 H new ATOM 0 HA VAL A 32 7.121 -7.830 0.789 1.00 42.35 H new ATOM 0 HB VAL A 32 4.271 -6.785 0.452 1.00 71.54 H new ATOM 0 HG11 VAL A 32 3.628 -8.333 2.259 1.00 14.02 H new ATOM 0 HG12 VAL A 32 4.208 -9.196 0.815 1.00 14.02 H new ATOM 0 HG13 VAL A 32 5.265 -9.030 2.237 1.00 14.02 H new ATOM 0 HG21 VAL A 32 4.507 -6.097 2.821 1.00 44.23 H new ATOM 0 HG22 VAL A 32 6.190 -6.675 2.811 1.00 44.23 H new ATOM 0 HG23 VAL A 32 5.713 -5.307 1.777 1.00 44.23 H new ATOM 555 N ARG A 33 6.475 -9.760 -0.645 1.00 71.43 N ATOM 556 CA ARG A 33 6.196 -10.907 -1.524 1.00 61.32 C ATOM 557 C ARG A 33 5.364 -11.978 -0.796 1.00 75.34 C ATOM 558 O ARG A 33 4.681 -12.788 -1.423 1.00 75.12 O ATOM 559 CB ARG A 33 7.516 -11.525 -2.019 1.00 32.13 C ATOM 560 CG ARG A 33 8.362 -12.142 -0.905 1.00 13.35 C ATOM 561 CD ARG A 33 9.674 -12.715 -1.426 1.00 34.20 C ATOM 562 NE ARG A 33 10.387 -13.461 -0.390 1.00 41.33 N ATOM 563 CZ ARG A 33 11.586 -13.954 -0.529 1.00 12.13 C ATOM 564 NH1 ARG A 33 12.249 -13.787 -1.631 1.00 65.15 N ATOM 565 NH2 ARG A 33 12.118 -14.620 0.440 1.00 32.24 N ATOM 0 H ARG A 33 7.088 -9.977 0.141 1.00 71.43 H new ATOM 0 HA ARG A 33 5.620 -10.545 -2.376 1.00 61.32 H new ATOM 0 HB2 ARG A 33 7.292 -12.292 -2.760 1.00 32.13 H new ATOM 0 HB3 ARG A 33 8.101 -10.755 -2.523 1.00 32.13 H new ATOM 0 HG2 ARG A 33 8.573 -11.385 -0.150 1.00 13.35 H new ATOM 0 HG3 ARG A 33 7.793 -12.931 -0.414 1.00 13.35 H new ATOM 0 HD2 ARG A 33 9.474 -13.370 -2.274 1.00 34.20 H new ATOM 0 HD3 ARG A 33 10.305 -11.905 -1.791 1.00 34.20 H new ATOM 0 HE ARG A 33 9.914 -13.606 0.502 1.00 41.33 H new ATOM 0 HH11 ARG A 33 11.833 -13.265 -2.402 1.00 65.15 H new ATOM 0 HH12 ARG A 33 13.186 -14.178 -1.727 1.00 65.15 H new ATOM 0 HH21 ARG A 33 11.601 -14.758 1.308 1.00 32.24 H new ATOM 0 HH22 ARG A 33 13.056 -15.008 0.338 1.00 32.24 H new ATOM 579 N SER A 34 5.428 -11.969 0.535 1.00 41.25 N ATOM 580 CA SER A 34 4.744 -12.971 1.363 1.00 32.11 C ATOM 581 C SER A 34 4.387 -12.389 2.741 1.00 43.22 C ATOM 582 O SER A 34 4.929 -11.354 3.139 1.00 73.31 O ATOM 583 CB SER A 34 5.646 -14.201 1.546 1.00 63.11 C ATOM 584 OG SER A 34 6.783 -13.886 2.334 1.00 41.21 O ATOM 0 H SER A 34 5.950 -11.275 1.070 1.00 41.25 H new ATOM 0 HA SER A 34 3.824 -13.262 0.857 1.00 32.11 H new ATOM 0 HB2 SER A 34 5.081 -15.003 2.021 1.00 63.11 H new ATOM 0 HB3 SER A 34 5.966 -14.570 0.571 1.00 63.11 H new ATOM 0 HG SER A 34 7.341 -14.685 2.438 1.00 41.21 H new ATOM 590 N PRO A 35 3.476 -13.042 3.503 1.00 4.41 N ATOM 591 CA PRO A 35 3.094 -12.580 4.855 1.00 63.23 C ATOM 592 C PRO A 35 4.299 -12.472 5.811 1.00 73.25 C ATOM 593 O PRO A 35 4.231 -11.787 6.834 1.00 14.23 O ATOM 594 CB PRO A 35 2.103 -13.656 5.344 1.00 30.21 C ATOM 595 CG PRO A 35 2.331 -14.832 4.451 1.00 51.55 C ATOM 596 CD PRO A 35 2.738 -14.263 3.122 1.00 12.42 C ATOM 0 HA PRO A 35 2.670 -11.576 4.831 1.00 63.23 H new ATOM 0 HB2 PRO A 35 2.284 -13.913 6.388 1.00 30.21 H new ATOM 0 HB3 PRO A 35 1.074 -13.304 5.276 1.00 30.21 H new ATOM 0 HG2 PRO A 35 3.108 -15.483 4.852 1.00 51.55 H new ATOM 0 HG3 PRO A 35 1.427 -15.434 4.358 1.00 51.55 H new ATOM 0 HD2 PRO A 35 3.364 -14.956 2.560 1.00 12.42 H new ATOM 0 HD3 PRO A 35 1.874 -14.036 2.497 1.00 12.42 H new ATOM 604 N GLN A 36 5.395 -13.148 5.461 1.00 34.01 N ATOM 605 CA GLN A 36 6.642 -13.093 6.233 1.00 14.01 C ATOM 606 C GLN A 36 7.251 -11.680 6.229 1.00 32.13 C ATOM 607 O GLN A 36 7.640 -11.158 7.273 1.00 34.10 O ATOM 608 CB GLN A 36 7.641 -14.129 5.677 1.00 70.25 C ATOM 609 CG GLN A 36 9.071 -13.983 6.201 1.00 65.12 C ATOM 610 CD GLN A 36 9.929 -13.046 5.361 1.00 63.40 C ATOM 611 OE1 GLN A 36 9.754 -12.939 4.152 1.00 24.53 O ATOM 612 NE2 GLN A 36 10.849 -12.352 5.993 1.00 63.52 N ATOM 0 H GLN A 36 5.445 -13.748 4.637 1.00 34.01 H new ATOM 0 HA GLN A 36 6.416 -13.337 7.271 1.00 14.01 H new ATOM 0 HB2 GLN A 36 7.280 -15.128 5.920 1.00 70.25 H new ATOM 0 HB3 GLN A 36 7.657 -14.051 4.590 1.00 70.25 H new ATOM 0 HG2 GLN A 36 9.039 -13.614 7.226 1.00 65.12 H new ATOM 0 HG3 GLN A 36 9.541 -14.966 6.231 1.00 65.12 H new ATOM 0 HE21 GLN A 36 10.970 -12.463 7.000 1.00 63.52 H new ATOM 0 HE22 GLN A 36 11.442 -11.702 5.477 1.00 63.52 H new ATOM 621 N GLU A 37 7.346 -11.073 5.048 1.00 61.30 N ATOM 622 CA GLU A 37 7.845 -9.695 4.919 1.00 1.32 C ATOM 623 C GLU A 37 7.028 -8.720 5.784 1.00 33.13 C ATOM 624 O GLU A 37 7.584 -7.850 6.462 1.00 70.12 O ATOM 625 CB GLU A 37 7.802 -9.242 3.450 1.00 74.45 C ATOM 626 CG GLU A 37 8.726 -10.022 2.514 1.00 1.31 C ATOM 627 CD GLU A 37 10.209 -9.781 2.783 1.00 63.33 C ATOM 628 OE1 GLU A 37 10.555 -8.765 3.424 1.00 64.34 O ATOM 629 OE2 GLU A 37 11.038 -10.600 2.336 1.00 21.43 O ATOM 0 H GLU A 37 7.085 -11.509 4.163 1.00 61.30 H new ATOM 0 HA GLU A 37 8.877 -9.686 5.270 1.00 1.32 H new ATOM 0 HB2 GLU A 37 6.779 -9.332 3.086 1.00 74.45 H new ATOM 0 HB3 GLU A 37 8.066 -8.186 3.402 1.00 74.45 H new ATOM 0 HG2 GLU A 37 8.515 -11.087 2.613 1.00 1.31 H new ATOM 0 HG3 GLU A 37 8.502 -9.747 1.483 1.00 1.31 H new ATOM 636 N LEU A 38 5.701 -8.869 5.754 1.00 3.32 N ATOM 637 CA LEU A 38 4.808 -8.050 6.586 1.00 22.31 C ATOM 638 C LEU A 38 5.044 -8.347 8.077 1.00 63.24 C ATOM 639 O LEU A 38 5.094 -7.442 8.909 1.00 31.13 O ATOM 640 CB LEU A 38 3.344 -8.323 6.206 1.00 24.44 C ATOM 641 CG LEU A 38 2.309 -7.375 6.837 1.00 22.31 C ATOM 642 CD1 LEU A 38 2.541 -5.936 6.375 1.00 33.44 C ATOM 643 CD2 LEU A 38 0.887 -7.828 6.506 1.00 74.34 C ATOM 0 H LEU A 38 5.219 -9.548 5.164 1.00 3.32 H new ATOM 0 HA LEU A 38 5.025 -6.997 6.409 1.00 22.31 H new ATOM 0 HB2 LEU A 38 3.251 -8.264 5.122 1.00 24.44 H new ATOM 0 HB3 LEU A 38 3.097 -9.345 6.492 1.00 24.44 H new ATOM 0 HG LEU A 38 2.432 -7.408 7.919 1.00 22.31 H new ATOM 0 HD11 LEU A 38 1.798 -5.283 6.833 1.00 33.44 H new ATOM 0 HD12 LEU A 38 3.539 -5.615 6.672 1.00 33.44 H new ATOM 0 HD13 LEU A 38 2.451 -5.883 5.290 1.00 33.44 H new ATOM 0 HD21 LEU A 38 0.172 -7.144 6.962 1.00 74.34 H new ATOM 0 HD22 LEU A 38 0.748 -7.830 5.425 1.00 74.34 H new ATOM 0 HD23 LEU A 38 0.726 -8.833 6.895 1.00 74.34 H new ATOM 655 N LYS A 39 5.201 -9.632 8.393 1.00 61.02 N ATOM 656 CA LYS A 39 5.563 -10.088 9.741 1.00 32.01 C ATOM 657 C LYS A 39 6.803 -9.343 10.267 1.00 60.13 C ATOM 658 O LYS A 39 6.749 -8.689 11.311 1.00 41.21 O ATOM 659 CB LYS A 39 5.791 -11.621 9.699 1.00 42.31 C ATOM 660 CG LYS A 39 6.893 -12.177 10.608 1.00 62.42 C ATOM 661 CD LYS A 39 6.537 -12.122 12.092 1.00 62.15 C ATOM 662 CE LYS A 39 7.568 -12.876 12.932 1.00 22.41 C ATOM 663 NZ LYS A 39 8.940 -12.307 12.798 1.00 42.51 N ATOM 0 H LYS A 39 5.081 -10.391 7.722 1.00 61.02 H new ATOM 0 HA LYS A 39 4.752 -9.865 10.434 1.00 32.01 H new ATOM 0 HB2 LYS A 39 4.854 -12.112 9.961 1.00 42.31 H new ATOM 0 HB3 LYS A 39 6.022 -11.903 8.672 1.00 42.31 H new ATOM 0 HG2 LYS A 39 7.098 -13.211 10.329 1.00 62.42 H new ATOM 0 HG3 LYS A 39 7.811 -11.614 10.441 1.00 62.42 H new ATOM 0 HD2 LYS A 39 6.486 -11.083 12.419 1.00 62.15 H new ATOM 0 HD3 LYS A 39 5.549 -12.554 12.249 1.00 62.15 H new ATOM 0 HE2 LYS A 39 7.268 -12.850 13.980 1.00 22.41 H new ATOM 0 HE3 LYS A 39 7.581 -13.923 12.631 1.00 22.41 H new ATOM 0 HZ1 LYS A 39 9.614 -13.071 12.587 1.00 42.51 H new ATOM 0 HZ2 LYS A 39 8.953 -11.611 12.026 1.00 42.51 H new ATOM 0 HZ3 LYS A 39 9.211 -11.842 13.688 1.00 42.51 H new ATOM 677 N ASP A 40 7.906 -9.416 9.526 1.00 44.32 N ATOM 678 CA ASP A 40 9.163 -8.785 9.942 1.00 2.14 C ATOM 679 C ASP A 40 9.098 -7.248 9.883 1.00 0.04 C ATOM 680 O ASP A 40 9.922 -6.562 10.496 1.00 71.22 O ATOM 681 CB ASP A 40 10.320 -9.316 9.096 1.00 50.40 C ATOM 682 CG ASP A 40 10.643 -10.769 9.410 1.00 63.44 C ATOM 683 OD1 ASP A 40 10.241 -11.265 10.491 1.00 31.34 O ATOM 684 OD2 ASP A 40 11.326 -11.417 8.594 1.00 43.42 O ATOM 0 H ASP A 40 7.958 -9.906 8.633 1.00 44.32 H new ATOM 0 HA ASP A 40 9.333 -9.048 10.986 1.00 2.14 H new ATOM 0 HB2 ASP A 40 10.068 -9.222 8.040 1.00 50.40 H new ATOM 0 HB3 ASP A 40 11.205 -8.704 9.269 1.00 50.40 H new ATOM 689 N SER A 41 8.126 -6.712 9.147 1.00 14.12 N ATOM 690 CA SER A 41 7.874 -5.263 9.142 1.00 72.12 C ATOM 691 C SER A 41 7.407 -4.796 10.528 1.00 54.43 C ATOM 692 O SER A 41 7.948 -3.843 11.095 1.00 32.45 O ATOM 693 CB SER A 41 6.823 -4.894 8.086 1.00 75.31 C ATOM 694 OG SER A 41 6.553 -3.500 8.091 1.00 41.30 O ATOM 0 H SER A 41 7.501 -7.251 8.548 1.00 14.12 H new ATOM 0 HA SER A 41 8.808 -4.760 8.893 1.00 72.12 H new ATOM 0 HB2 SER A 41 7.175 -5.195 7.099 1.00 75.31 H new ATOM 0 HB3 SER A 41 5.903 -5.445 8.278 1.00 75.31 H new ATOM 0 HG SER A 41 7.210 -3.038 7.529 1.00 41.30 H new ATOM 700 N ILE A 42 6.410 -5.492 11.079 1.00 70.35 N ATOM 701 CA ILE A 42 5.915 -5.208 12.432 1.00 71.22 C ATOM 702 C ILE A 42 7.014 -5.432 13.486 1.00 14.32 C ATOM 703 O ILE A 42 7.137 -4.667 14.448 1.00 71.52 O ATOM 704 CB ILE A 42 4.659 -6.066 12.773 1.00 40.14 C ATOM 705 CG1 ILE A 42 3.402 -5.500 12.083 1.00 14.15 C ATOM 706 CG2 ILE A 42 4.437 -6.147 14.286 1.00 45.32 C ATOM 707 CD1 ILE A 42 3.456 -5.494 10.570 1.00 40.44 C ATOM 0 H ILE A 42 5.927 -6.258 10.610 1.00 70.35 H new ATOM 0 HA ILE A 42 5.625 -4.157 12.453 1.00 71.22 H new ATOM 0 HB ILE A 42 4.839 -7.074 12.398 1.00 40.14 H new ATOM 0 HG12 ILE A 42 2.537 -6.084 12.399 1.00 14.15 H new ATOM 0 HG13 ILE A 42 3.242 -4.479 12.431 1.00 14.15 H new ATOM 0 HG21 ILE A 42 3.554 -6.752 14.492 1.00 45.32 H new ATOM 0 HG22 ILE A 42 5.307 -6.603 14.758 1.00 45.32 H new ATOM 0 HG23 ILE A 42 4.291 -5.144 14.687 1.00 45.32 H new ATOM 0 HD11 ILE A 42 2.529 -5.079 10.174 1.00 40.44 H new ATOM 0 HD12 ILE A 42 4.297 -4.885 10.238 1.00 40.44 H new ATOM 0 HD13 ILE A 42 3.581 -6.514 10.206 1.00 40.44 H new ATOM 719 N GLU A 43 7.823 -6.471 13.288 1.00 12.43 N ATOM 720 CA GLU A 43 8.966 -6.749 14.169 1.00 72.43 C ATOM 721 C GLU A 43 9.932 -5.554 14.215 1.00 32.45 C ATOM 722 O GLU A 43 10.653 -5.355 15.193 1.00 22.01 O ATOM 723 CB GLU A 43 9.717 -7.994 13.687 1.00 64.32 C ATOM 724 CG GLU A 43 8.831 -9.221 13.505 1.00 23.02 C ATOM 725 CD GLU A 43 8.311 -9.802 14.811 1.00 21.42 C ATOM 726 OE1 GLU A 43 7.337 -9.262 15.373 1.00 51.50 O ATOM 727 OE2 GLU A 43 8.861 -10.828 15.263 1.00 62.20 O ATOM 0 H GLU A 43 7.711 -7.138 12.525 1.00 12.43 H new ATOM 0 HA GLU A 43 8.579 -6.924 15.173 1.00 72.43 H new ATOM 0 HB2 GLU A 43 10.205 -7.767 12.739 1.00 64.32 H new ATOM 0 HB3 GLU A 43 10.505 -8.230 14.402 1.00 64.32 H new ATOM 0 HG2 GLU A 43 7.983 -8.955 12.874 1.00 23.02 H new ATOM 0 HG3 GLU A 43 9.394 -9.989 12.975 1.00 23.02 H new ATOM 734 N GLU A 44 9.956 -4.773 13.138 1.00 61.24 N ATOM 735 CA GLU A 44 10.745 -3.541 13.092 1.00 11.53 C ATOM 736 C GLU A 44 9.981 -2.383 13.759 1.00 34.11 C ATOM 737 O GLU A 44 10.570 -1.552 14.456 1.00 62.34 O ATOM 738 CB GLU A 44 11.072 -3.180 11.638 1.00 72.24 C ATOM 739 CG GLU A 44 12.015 -1.988 11.486 1.00 2.14 C ATOM 740 CD GLU A 44 13.469 -2.335 11.773 1.00 73.40 C ATOM 741 OE1 GLU A 44 13.824 -2.554 12.953 1.00 20.13 O ATOM 742 OE2 GLU A 44 14.275 -2.381 10.815 1.00 21.14 O ATOM 0 H GLU A 44 9.437 -4.971 12.282 1.00 61.24 H new ATOM 0 HA GLU A 44 11.674 -3.706 13.638 1.00 11.53 H new ATOM 0 HB2 GLU A 44 11.519 -4.047 11.152 1.00 72.24 H new ATOM 0 HB3 GLU A 44 10.143 -2.963 11.111 1.00 72.24 H new ATOM 0 HG2 GLU A 44 11.935 -1.596 10.472 1.00 2.14 H new ATOM 0 HG3 GLU A 44 11.698 -1.193 12.161 1.00 2.14 H new ATOM 749 N LEU A 45 8.662 -2.346 13.538 1.00 31.43 N ATOM 750 CA LEU A 45 7.785 -1.320 14.129 1.00 44.41 C ATOM 751 C LEU A 45 7.846 -1.325 15.664 1.00 3.14 C ATOM 752 O LEU A 45 7.686 -0.287 16.308 1.00 50.05 O ATOM 753 CB LEU A 45 6.329 -1.535 13.681 1.00 14.42 C ATOM 754 CG LEU A 45 6.063 -1.378 12.174 1.00 1.10 C ATOM 755 CD1 LEU A 45 4.605 -1.688 11.844 1.00 74.32 C ATOM 756 CD2 LEU A 45 6.433 0.025 11.708 1.00 11.45 C ATOM 0 H LEU A 45 8.172 -3.020 12.949 1.00 31.43 H new ATOM 0 HA LEU A 45 8.144 -0.353 13.776 1.00 44.41 H new ATOM 0 HB2 LEU A 45 6.020 -2.535 13.983 1.00 14.42 H new ATOM 0 HB3 LEU A 45 5.695 -0.829 14.218 1.00 14.42 H new ATOM 0 HG LEU A 45 6.690 -2.094 11.642 1.00 1.10 H new ATOM 0 HD11 LEU A 45 4.441 -1.570 10.773 1.00 74.32 H new ATOM 0 HD12 LEU A 45 4.376 -2.713 12.135 1.00 74.32 H new ATOM 0 HD13 LEU A 45 3.955 -1.002 12.388 1.00 74.32 H new ATOM 0 HD21 LEU A 45 6.238 0.117 10.640 1.00 11.45 H new ATOM 0 HD22 LEU A 45 5.836 0.758 12.250 1.00 11.45 H new ATOM 0 HD23 LEU A 45 7.491 0.205 11.900 1.00 11.45 H new ATOM 768 N VAL A 46 8.061 -2.500 16.247 1.00 35.34 N ATOM 769 CA VAL A 46 8.158 -2.636 17.706 1.00 21.44 C ATOM 770 C VAL A 46 9.598 -2.386 18.206 1.00 64.32 C ATOM 771 O VAL A 46 9.884 -2.495 19.402 1.00 42.32 O ATOM 772 CB VAL A 46 7.669 -4.042 18.163 1.00 31.32 C ATOM 773 CG1 VAL A 46 8.632 -5.140 17.711 1.00 2.10 C ATOM 774 CG2 VAL A 46 7.446 -4.090 19.676 1.00 71.11 C ATOM 0 H VAL A 46 8.172 -3.376 15.736 1.00 35.34 H new ATOM 0 HA VAL A 46 7.512 -1.877 18.147 1.00 21.44 H new ATOM 0 HB VAL A 46 6.708 -4.227 17.682 1.00 31.32 H new ATOM 0 HG11 VAL A 46 8.262 -6.109 18.046 1.00 2.10 H new ATOM 0 HG12 VAL A 46 8.704 -5.135 16.623 1.00 2.10 H new ATOM 0 HG13 VAL A 46 9.617 -4.960 18.141 1.00 2.10 H new ATOM 0 HG21 VAL A 46 7.105 -5.085 19.962 1.00 71.11 H new ATOM 0 HG22 VAL A 46 8.381 -3.865 20.189 1.00 71.11 H new ATOM 0 HG23 VAL A 46 6.693 -3.354 19.956 1.00 71.11 H new ATOM 784 N LYS A 47 10.504 -2.028 17.292 1.00 53.34 N ATOM 785 CA LYS A 47 11.915 -1.804 17.646 1.00 31.13 C ATOM 786 C LYS A 47 12.396 -0.378 17.288 1.00 60.52 C ATOM 787 O LYS A 47 12.400 0.507 18.147 1.00 1.33 O ATOM 788 CB LYS A 47 12.810 -2.860 16.975 1.00 61.35 C ATOM 789 CG LYS A 47 12.533 -4.291 17.429 1.00 21.34 C ATOM 790 CD LYS A 47 12.776 -4.476 18.930 1.00 31.51 C ATOM 791 CE LYS A 47 12.466 -5.898 19.383 1.00 53.04 C ATOM 792 NZ LYS A 47 12.691 -6.081 20.841 1.00 44.12 N ATOM 0 H LYS A 47 10.291 -1.887 16.305 1.00 53.34 H new ATOM 0 HA LYS A 47 11.994 -1.903 18.729 1.00 31.13 H new ATOM 0 HB2 LYS A 47 12.676 -2.801 15.895 1.00 61.35 H new ATOM 0 HB3 LYS A 47 13.853 -2.620 17.181 1.00 61.35 H new ATOM 0 HG2 LYS A 47 11.501 -4.552 17.194 1.00 21.34 H new ATOM 0 HG3 LYS A 47 13.170 -4.978 16.872 1.00 21.34 H new ATOM 0 HD2 LYS A 47 13.814 -4.239 19.162 1.00 31.51 H new ATOM 0 HD3 LYS A 47 12.156 -3.774 19.488 1.00 31.51 H new ATOM 0 HE2 LYS A 47 11.430 -6.137 19.144 1.00 53.04 H new ATOM 0 HE3 LYS A 47 13.091 -6.599 18.829 1.00 53.04 H new ATOM 0 HZ1 LYS A 47 12.468 -7.062 21.106 1.00 44.12 H new ATOM 0 HZ2 LYS A 47 13.686 -5.879 21.067 1.00 44.12 H new ATOM 0 HZ3 LYS A 47 12.076 -5.431 21.371 1.00 44.12 H new ATOM 806 N LYS A 48 12.793 -0.154 16.026 1.00 51.30 N ATOM 807 CA LYS A 48 13.378 1.143 15.614 1.00 61.21 C ATOM 808 C LYS A 48 13.582 1.231 14.090 1.00 43.11 C ATOM 809 O LYS A 48 13.991 0.258 13.459 1.00 11.45 O ATOM 810 CB LYS A 48 14.737 1.379 16.311 1.00 50.44 C ATOM 811 CG LYS A 48 15.871 0.460 15.833 1.00 32.52 C ATOM 812 CD LYS A 48 15.669 -0.989 16.270 1.00 42.44 C ATOM 813 CE LYS A 48 16.582 -1.946 15.517 1.00 2.11 C ATOM 814 NZ LYS A 48 16.301 -1.940 14.057 1.00 2.42 N ATOM 0 H LYS A 48 12.723 -0.842 15.276 1.00 51.30 H new ATOM 0 HA LYS A 48 12.666 1.912 15.915 1.00 61.21 H new ATOM 0 HB2 LYS A 48 15.036 2.415 16.153 1.00 50.44 H new ATOM 0 HB3 LYS A 48 14.607 1.245 17.385 1.00 50.44 H new ATOM 0 HG2 LYS A 48 15.936 0.503 14.746 1.00 32.52 H new ATOM 0 HG3 LYS A 48 16.821 0.826 16.224 1.00 32.52 H new ATOM 0 HD2 LYS A 48 15.858 -1.074 17.340 1.00 42.44 H new ATOM 0 HD3 LYS A 48 14.630 -1.275 16.106 1.00 42.44 H new ATOM 0 HE2 LYS A 48 17.622 -1.668 15.689 1.00 2.11 H new ATOM 0 HE3 LYS A 48 16.453 -2.955 15.908 1.00 2.11 H new ATOM 0 HZ1 LYS A 48 16.735 -2.776 13.617 1.00 2.42 H new ATOM 0 HZ2 LYS A 48 15.273 -1.960 13.901 1.00 2.42 H new ATOM 0 HZ3 LYS A 48 16.699 -1.079 13.630 1.00 2.42 H new ATOM 828 N TYR A 49 13.322 2.413 13.514 1.00 71.21 N ATOM 829 CA TYR A 49 13.531 2.658 12.071 1.00 30.51 C ATOM 830 C TYR A 49 13.075 4.078 11.683 1.00 51.23 C ATOM 831 O TYR A 49 12.536 4.813 12.514 1.00 22.21 O ATOM 832 CB TYR A 49 12.753 1.637 11.223 1.00 42.54 C ATOM 833 CG TYR A 49 11.281 1.979 11.087 1.00 24.05 C ATOM 834 CD1 TYR A 49 10.420 1.902 12.176 1.00 0.31 C ATOM 835 CD2 TYR A 49 10.766 2.412 9.872 1.00 33.10 C ATOM 836 CE1 TYR A 49 9.089 2.243 12.055 1.00 71.13 C ATOM 837 CE2 TYR A 49 9.440 2.757 9.745 1.00 71.24 C ATOM 838 CZ TYR A 49 8.605 2.671 10.836 1.00 75.31 C ATOM 839 OH TYR A 49 7.280 3.017 10.704 1.00 3.42 O ATOM 0 H TYR A 49 12.965 3.221 14.024 1.00 71.21 H new ATOM 0 HA TYR A 49 14.598 2.554 11.875 1.00 30.51 H new ATOM 0 HB2 TYR A 49 13.201 1.581 10.231 1.00 42.54 H new ATOM 0 HB3 TYR A 49 12.851 0.649 11.673 1.00 42.54 H new ATOM 0 HD1 TYR A 49 10.799 1.570 13.131 1.00 0.31 H new ATOM 0 HD2 TYR A 49 11.417 2.479 9.013 1.00 33.10 H new ATOM 0 HE1 TYR A 49 8.430 2.175 12.908 1.00 71.13 H new ATOM 0 HE2 TYR A 49 9.056 3.094 8.793 1.00 71.24 H new ATOM 0 HH TYR A 49 6.946 3.364 11.557 1.00 3.42 H new ATOM 849 N ASN A 50 13.275 4.454 10.417 1.00 75.44 N ATOM 850 CA ASN A 50 12.764 5.733 9.901 1.00 60.23 C ATOM 851 C ASN A 50 12.837 5.780 8.359 1.00 14.22 C ATOM 852 O ASN A 50 13.683 5.126 7.751 1.00 71.21 O ATOM 853 CB ASN A 50 13.554 6.907 10.506 1.00 34.30 C ATOM 854 CG ASN A 50 12.804 8.225 10.428 1.00 74.32 C ATOM 855 OD1 ASN A 50 11.961 8.431 9.562 1.00 43.30 O ATOM 856 ND2 ASN A 50 13.108 9.135 11.333 1.00 34.31 N ATOM 0 H ASN A 50 13.784 3.896 9.731 1.00 75.44 H new ATOM 0 HA ASN A 50 11.718 5.821 10.194 1.00 60.23 H new ATOM 0 HB2 ASN A 50 13.783 6.686 11.549 1.00 34.30 H new ATOM 0 HB3 ASN A 50 14.506 7.005 9.985 1.00 34.30 H new ATOM 0 HD21 ASN A 50 12.637 10.040 11.325 1.00 34.31 H new ATOM 0 HD22 ASN A 50 13.814 8.934 12.041 1.00 34.31 H new ATOM 863 N ALA A 51 11.927 6.545 7.744 1.00 42.04 N ATOM 864 CA ALA A 51 11.917 6.773 6.284 1.00 22.02 C ATOM 865 C ALA A 51 11.625 5.504 5.456 1.00 41.31 C ATOM 866 O ALA A 51 11.819 5.495 4.242 1.00 74.15 O ATOM 867 CB ALA A 51 13.236 7.405 5.840 1.00 52.22 C ATOM 0 H ALA A 51 11.175 7.025 8.239 1.00 42.04 H new ATOM 0 HA ALA A 51 11.091 7.457 6.089 1.00 22.02 H new ATOM 0 HB1 ALA A 51 13.217 7.568 4.762 1.00 52.22 H new ATOM 0 HB2 ALA A 51 13.372 8.359 6.349 1.00 52.22 H new ATOM 0 HB3 ALA A 51 14.061 6.739 6.091 1.00 52.22 H new ATOM 873 N THR A 52 11.140 4.443 6.098 1.00 21.15 N ATOM 874 CA THR A 52 10.845 3.184 5.389 1.00 0.43 C ATOM 875 C THR A 52 9.345 3.042 5.054 1.00 61.05 C ATOM 876 O THR A 52 8.497 3.002 5.953 1.00 74.21 O ATOM 877 CB THR A 52 11.292 1.948 6.212 1.00 51.14 C ATOM 878 OG1 THR A 52 12.674 2.068 6.580 1.00 23.21 O ATOM 879 CG2 THR A 52 11.092 0.655 5.425 1.00 44.25 C ATOM 0 H THR A 52 10.942 4.422 7.098 1.00 21.15 H new ATOM 0 HA THR A 52 11.411 3.225 4.459 1.00 0.43 H new ATOM 0 HB THR A 52 10.674 1.910 7.109 1.00 51.14 H new ATOM 0 HG1 THR A 52 12.943 1.283 7.100 1.00 23.21 H new ATOM 0 HG21 THR A 52 11.415 -0.193 6.030 1.00 44.25 H new ATOM 0 HG22 THR A 52 10.037 0.541 5.174 1.00 44.25 H new ATOM 0 HG23 THR A 52 11.681 0.692 4.508 1.00 44.25 H new ATOM 887 N ILE A 53 9.031 2.959 3.759 1.00 64.51 N ATOM 888 CA ILE A 53 7.653 2.752 3.280 1.00 53.41 C ATOM 889 C ILE A 53 7.459 1.310 2.774 1.00 23.51 C ATOM 890 O ILE A 53 8.340 0.748 2.119 1.00 13.44 O ATOM 891 CB ILE A 53 7.288 3.749 2.145 1.00 41.42 C ATOM 892 CG1 ILE A 53 7.318 5.197 2.671 1.00 43.12 C ATOM 893 CG2 ILE A 53 5.917 3.420 1.546 1.00 43.32 C ATOM 894 CD1 ILE A 53 6.915 6.234 1.642 1.00 53.40 C ATOM 0 H ILE A 53 9.720 3.033 3.010 1.00 64.51 H new ATOM 0 HA ILE A 53 6.990 2.930 4.127 1.00 53.41 H new ATOM 0 HB ILE A 53 8.032 3.652 1.354 1.00 41.42 H new ATOM 0 HG12 ILE A 53 6.652 5.275 3.530 1.00 43.12 H new ATOM 0 HG13 ILE A 53 8.324 5.423 3.026 1.00 43.12 H new ATOM 0 HG21 ILE A 53 5.685 4.132 0.754 1.00 43.32 H new ATOM 0 HG22 ILE A 53 5.933 2.411 1.133 1.00 43.32 H new ATOM 0 HG23 ILE A 53 5.156 3.482 2.324 1.00 43.32 H new ATOM 0 HD11 ILE A 53 6.962 7.227 2.089 1.00 53.40 H new ATOM 0 HD12 ILE A 53 7.595 6.186 0.792 1.00 53.40 H new ATOM 0 HD13 ILE A 53 5.898 6.035 1.304 1.00 53.40 H new ATOM 906 N VAL A 54 6.310 0.711 3.088 1.00 21.25 N ATOM 907 CA VAL A 54 6.039 -0.682 2.716 1.00 42.21 C ATOM 908 C VAL A 54 5.045 -0.781 1.540 1.00 12.34 C ATOM 909 O VAL A 54 3.979 -0.161 1.549 1.00 50.21 O ATOM 910 CB VAL A 54 5.509 -1.489 3.932 1.00 50.34 C ATOM 911 CG1 VAL A 54 4.182 -0.927 4.442 1.00 62.34 C ATOM 912 CG2 VAL A 54 5.386 -2.972 3.589 1.00 53.33 C ATOM 0 H VAL A 54 5.552 1.165 3.598 1.00 21.25 H new ATOM 0 HA VAL A 54 6.986 -1.114 2.391 1.00 42.21 H new ATOM 0 HB VAL A 54 6.235 -1.389 4.738 1.00 50.34 H new ATOM 0 HG11 VAL A 54 3.841 -1.516 5.293 1.00 62.34 H new ATOM 0 HG12 VAL A 54 4.320 0.109 4.750 1.00 62.34 H new ATOM 0 HG13 VAL A 54 3.438 -0.973 3.647 1.00 62.34 H new ATOM 0 HG21 VAL A 54 5.013 -3.516 4.457 1.00 53.33 H new ATOM 0 HG22 VAL A 54 4.693 -3.097 2.757 1.00 53.33 H new ATOM 0 HG23 VAL A 54 6.364 -3.363 3.308 1.00 53.33 H new ATOM 922 N VAL A 55 5.415 -1.556 0.525 1.00 41.51 N ATOM 923 CA VAL A 55 4.576 -1.760 -0.661 1.00 42.40 C ATOM 924 C VAL A 55 4.214 -3.244 -0.826 1.00 61.14 C ATOM 925 O VAL A 55 5.078 -4.075 -1.103 1.00 35.51 O ATOM 926 CB VAL A 55 5.290 -1.266 -1.948 1.00 32.12 C ATOM 927 CG1 VAL A 55 4.397 -1.452 -3.176 1.00 53.12 C ATOM 928 CG2 VAL A 55 5.720 0.194 -1.804 1.00 10.12 C ATOM 0 H VAL A 55 6.301 -2.061 0.497 1.00 41.51 H new ATOM 0 HA VAL A 55 3.666 -1.179 -0.515 1.00 42.40 H new ATOM 0 HB VAL A 55 6.185 -1.871 -2.089 1.00 32.12 H new ATOM 0 HG11 VAL A 55 4.921 -1.098 -4.064 1.00 53.12 H new ATOM 0 HG12 VAL A 55 4.156 -2.508 -3.294 1.00 53.12 H new ATOM 0 HG13 VAL A 55 3.477 -0.882 -3.046 1.00 53.12 H new ATOM 0 HG21 VAL A 55 6.218 0.518 -2.718 1.00 10.12 H new ATOM 0 HG22 VAL A 55 4.842 0.816 -1.629 1.00 10.12 H new ATOM 0 HG23 VAL A 55 6.407 0.290 -0.963 1.00 10.12 H new ATOM 938 N VAL A 56 2.939 -3.573 -0.651 1.00 20.41 N ATOM 939 CA VAL A 56 2.477 -4.962 -0.747 1.00 61.35 C ATOM 940 C VAL A 56 1.952 -5.279 -2.157 1.00 24.24 C ATOM 941 O VAL A 56 0.907 -4.772 -2.571 1.00 34.44 O ATOM 942 CB VAL A 56 1.369 -5.258 0.297 1.00 72.11 C ATOM 943 CG1 VAL A 56 0.939 -6.724 0.236 1.00 51.42 C ATOM 944 CG2 VAL A 56 1.840 -4.889 1.703 1.00 10.53 C ATOM 0 H VAL A 56 2.202 -2.899 -0.441 1.00 20.41 H new ATOM 0 HA VAL A 56 3.336 -5.600 -0.540 1.00 61.35 H new ATOM 0 HB VAL A 56 0.502 -4.643 0.055 1.00 72.11 H new ATOM 0 HG11 VAL A 56 0.161 -6.906 0.978 1.00 51.42 H new ATOM 0 HG12 VAL A 56 0.552 -6.949 -0.758 1.00 51.42 H new ATOM 0 HG13 VAL A 56 1.796 -7.364 0.445 1.00 51.42 H new ATOM 0 HG21 VAL A 56 1.048 -5.104 2.420 1.00 10.53 H new ATOM 0 HG22 VAL A 56 2.726 -5.472 1.955 1.00 10.53 H new ATOM 0 HG23 VAL A 56 2.083 -3.827 1.738 1.00 10.53 H new ATOM 954 N VAL A 57 2.687 -6.109 -2.896 1.00 43.12 N ATOM 955 CA VAL A 57 2.279 -6.515 -4.247 1.00 62.31 C ATOM 956 C VAL A 57 1.327 -7.720 -4.189 1.00 54.12 C ATOM 957 O VAL A 57 1.688 -8.788 -3.687 1.00 32.11 O ATOM 958 CB VAL A 57 3.510 -6.867 -5.123 1.00 1.14 C ATOM 959 CG1 VAL A 57 3.087 -7.199 -6.555 1.00 1.25 C ATOM 960 CG2 VAL A 57 4.527 -5.725 -5.106 1.00 62.33 C ATOM 0 H VAL A 57 3.569 -6.516 -2.585 1.00 43.12 H new ATOM 0 HA VAL A 57 1.759 -5.670 -4.699 1.00 62.31 H new ATOM 0 HB VAL A 57 3.984 -7.753 -4.701 1.00 1.14 H new ATOM 0 HG11 VAL A 57 3.969 -7.442 -7.148 1.00 1.25 H new ATOM 0 HG12 VAL A 57 2.409 -8.053 -6.546 1.00 1.25 H new ATOM 0 HG13 VAL A 57 2.581 -6.339 -6.994 1.00 1.25 H new ATOM 0 HG21 VAL A 57 5.383 -5.991 -5.726 1.00 62.33 H new ATOM 0 HG22 VAL A 57 4.063 -4.819 -5.497 1.00 62.33 H new ATOM 0 HG23 VAL A 57 4.860 -5.550 -4.083 1.00 62.33 H new ATOM 970 N VAL A 58 0.111 -7.546 -4.704 1.00 3.11 N ATOM 971 CA VAL A 58 -0.924 -8.581 -4.616 1.00 74.34 C ATOM 972 C VAL A 58 -1.500 -8.953 -5.992 1.00 54.12 C ATOM 973 O VAL A 58 -1.595 -8.119 -6.891 1.00 64.04 O ATOM 974 CB VAL A 58 -2.086 -8.134 -3.692 1.00 13.13 C ATOM 975 CG1 VAL A 58 -1.576 -7.846 -2.279 1.00 41.24 C ATOM 976 CG2 VAL A 58 -2.803 -6.913 -4.268 1.00 32.24 C ATOM 0 H VAL A 58 -0.184 -6.698 -5.188 1.00 3.11 H new ATOM 0 HA VAL A 58 -0.435 -9.460 -4.196 1.00 74.34 H new ATOM 0 HB VAL A 58 -2.804 -8.952 -3.635 1.00 13.13 H new ATOM 0 HG11 VAL A 58 -2.408 -7.534 -1.648 1.00 41.24 H new ATOM 0 HG12 VAL A 58 -1.124 -8.747 -1.864 1.00 41.24 H new ATOM 0 HG13 VAL A 58 -0.831 -7.051 -2.316 1.00 41.24 H new ATOM 0 HG21 VAL A 58 -3.614 -6.619 -3.601 1.00 32.24 H new ATOM 0 HG22 VAL A 58 -2.097 -6.089 -4.365 1.00 32.24 H new ATOM 0 HG23 VAL A 58 -3.211 -7.159 -5.248 1.00 32.24 H new ATOM 986 N ASP A 59 -1.875 -10.221 -6.143 1.00 3.23 N ATOM 987 CA ASP A 59 -2.530 -10.707 -7.361 1.00 33.33 C ATOM 988 C ASP A 59 -3.903 -11.325 -7.031 1.00 23.41 C ATOM 989 O ASP A 59 -4.902 -11.054 -7.700 1.00 14.42 O ATOM 990 CB ASP A 59 -1.635 -11.741 -8.059 1.00 13.02 C ATOM 991 CG ASP A 59 -1.457 -13.009 -7.240 1.00 1.34 C ATOM 992 OD1 ASP A 59 -1.102 -12.912 -6.044 1.00 40.11 O ATOM 993 OD2 ASP A 59 -1.700 -14.109 -7.777 1.00 42.31 O ATOM 0 H ASP A 59 -1.736 -10.938 -5.431 1.00 3.23 H new ATOM 0 HA ASP A 59 -2.688 -9.863 -8.032 1.00 33.33 H new ATOM 0 HB2 ASP A 59 -2.067 -11.996 -9.027 1.00 13.02 H new ATOM 0 HB3 ASP A 59 -0.658 -11.298 -8.253 1.00 13.02 H new ATOM 998 N ASP A 60 -3.940 -12.157 -5.990 1.00 71.21 N ATOM 999 CA ASP A 60 -5.173 -12.817 -5.560 1.00 61.15 C ATOM 1000 C ASP A 60 -5.942 -11.958 -4.541 1.00 25.31 C ATOM 1001 O ASP A 60 -5.340 -11.293 -3.696 1.00 32.13 O ATOM 1002 CB ASP A 60 -4.838 -14.185 -4.959 1.00 24.43 C ATOM 1003 CG ASP A 60 -6.079 -14.946 -4.541 1.00 44.05 C ATOM 1004 OD1 ASP A 60 -6.794 -15.451 -5.429 1.00 3.12 O ATOM 1005 OD2 ASP A 60 -6.353 -15.027 -3.327 1.00 62.33 O ATOM 0 H ASP A 60 -3.124 -12.391 -5.425 1.00 71.21 H new ATOM 0 HA ASP A 60 -5.816 -12.950 -6.430 1.00 61.15 H new ATOM 0 HB2 ASP A 60 -4.281 -14.774 -5.688 1.00 24.43 H new ATOM 0 HB3 ASP A 60 -4.188 -14.051 -4.094 1.00 24.43 H new ATOM 1010 N LYS A 61 -7.275 -11.988 -4.616 1.00 4.33 N ATOM 1011 CA LYS A 61 -8.123 -11.162 -3.744 1.00 45.43 C ATOM 1012 C LYS A 61 -7.974 -11.536 -2.257 1.00 2.52 C ATOM 1013 O LYS A 61 -8.000 -10.660 -1.389 1.00 42.20 O ATOM 1014 CB LYS A 61 -9.595 -11.261 -4.176 1.00 35.50 C ATOM 1015 CG LYS A 61 -10.217 -12.649 -4.010 1.00 73.23 C ATOM 1016 CD LYS A 61 -11.652 -12.697 -4.539 1.00 24.11 C ATOM 1017 CE LYS A 61 -12.540 -11.649 -3.877 1.00 34.23 C ATOM 1018 NZ LYS A 61 -13.925 -11.677 -4.416 1.00 42.53 N ATOM 0 H LYS A 61 -7.793 -12.574 -5.271 1.00 4.33 H new ATOM 0 HA LYS A 61 -7.786 -10.131 -3.852 1.00 45.43 H new ATOM 0 HB2 LYS A 61 -10.178 -10.545 -3.598 1.00 35.50 H new ATOM 0 HB3 LYS A 61 -9.673 -10.965 -5.222 1.00 35.50 H new ATOM 0 HG2 LYS A 61 -9.610 -13.384 -4.538 1.00 73.23 H new ATOM 0 HG3 LYS A 61 -10.209 -12.927 -2.956 1.00 73.23 H new ATOM 0 HD2 LYS A 61 -11.646 -12.539 -5.617 1.00 24.11 H new ATOM 0 HD3 LYS A 61 -12.070 -13.689 -4.365 1.00 24.11 H new ATOM 0 HE2 LYS A 61 -12.565 -11.822 -2.801 1.00 34.23 H new ATOM 0 HE3 LYS A 61 -12.110 -10.659 -4.031 1.00 34.23 H new ATOM 0 HZ1 LYS A 61 -14.497 -10.950 -3.941 1.00 42.53 H new ATOM 0 HZ2 LYS A 61 -13.904 -11.487 -5.438 1.00 42.53 H new ATOM 0 HZ3 LYS A 61 -14.345 -12.613 -4.247 1.00 42.53 H new ATOM 1032 N GLU A 62 -7.810 -12.826 -1.957 1.00 21.14 N ATOM 1033 CA GLU A 62 -7.618 -13.265 -0.569 1.00 5.13 C ATOM 1034 C GLU A 62 -6.262 -12.779 -0.040 1.00 42.14 C ATOM 1035 O GLU A 62 -6.156 -12.301 1.091 1.00 22.05 O ATOM 1036 CB GLU A 62 -7.719 -14.793 -0.453 1.00 14.04 C ATOM 1037 CG GLU A 62 -7.594 -15.310 0.978 1.00 45.23 C ATOM 1038 CD GLU A 62 -7.641 -16.827 1.073 1.00 4.45 C ATOM 1039 OE1 GLU A 62 -8.746 -17.399 0.960 1.00 1.44 O ATOM 1040 OE2 GLU A 62 -6.578 -17.455 1.271 1.00 21.03 O ATOM 0 H GLU A 62 -7.806 -13.579 -2.645 1.00 21.14 H new ATOM 0 HA GLU A 62 -8.411 -12.827 0.037 1.00 5.13 H new ATOM 0 HB2 GLU A 62 -8.675 -15.117 -0.865 1.00 14.04 H new ATOM 0 HB3 GLU A 62 -6.938 -15.247 -1.063 1.00 14.04 H new ATOM 0 HG2 GLU A 62 -6.656 -14.955 1.405 1.00 45.23 H new ATOM 0 HG3 GLU A 62 -8.399 -14.890 1.581 1.00 45.23 H new ATOM 1047 N TRP A 63 -5.233 -12.906 -0.878 1.00 54.11 N ATOM 1048 CA TRP A 63 -3.900 -12.367 -0.577 1.00 64.53 C ATOM 1049 C TRP A 63 -3.948 -10.840 -0.396 1.00 40.31 C ATOM 1050 O TRP A 63 -3.275 -10.282 0.473 1.00 5.12 O ATOM 1051 CB TRP A 63 -2.917 -12.757 -1.698 1.00 71.10 C ATOM 1052 CG TRP A 63 -1.581 -12.060 -1.637 1.00 12.21 C ATOM 1053 CD1 TRP A 63 -0.958 -11.409 -2.663 1.00 50.33 C ATOM 1054 CD2 TRP A 63 -0.707 -11.937 -0.500 1.00 4.44 C ATOM 1055 NE1 TRP A 63 0.240 -10.889 -2.239 1.00 1.00 N ATOM 1056 CE2 TRP A 63 0.417 -11.197 -0.917 1.00 53.21 C ATOM 1057 CE3 TRP A 63 -0.770 -12.372 0.828 1.00 61.40 C ATOM 1058 CZ2 TRP A 63 1.469 -10.890 -0.058 1.00 13.31 C ATOM 1059 CZ3 TRP A 63 0.275 -12.068 1.678 1.00 42.35 C ATOM 1060 CH2 TRP A 63 1.380 -11.329 1.234 1.00 35.32 C ATOM 0 H TRP A 63 -5.295 -13.381 -1.779 1.00 54.11 H new ATOM 0 HA TRP A 63 -3.553 -12.797 0.363 1.00 64.53 H new ATOM 0 HB2 TRP A 63 -2.752 -13.834 -1.659 1.00 71.10 H new ATOM 0 HB3 TRP A 63 -3.381 -12.540 -2.660 1.00 71.10 H new ATOM 0 HD1 TRP A 63 -1.351 -11.316 -3.665 1.00 50.33 H new ATOM 0 HE1 TRP A 63 0.893 -10.359 -2.816 1.00 1.00 H new ATOM 0 HE3 TRP A 63 -1.621 -12.935 1.182 1.00 61.40 H new ATOM 0 HZ2 TRP A 63 2.324 -10.326 -0.400 1.00 13.31 H new ATOM 0 HZ3 TRP A 63 0.240 -12.406 2.703 1.00 42.35 H new ATOM 0 HH2 TRP A 63 2.177 -11.102 1.926 1.00 35.32 H new ATOM 1071 N ALA A 64 -4.763 -10.172 -1.211 1.00 30.10 N ATOM 1072 CA ALA A 64 -4.962 -8.726 -1.094 1.00 64.42 C ATOM 1073 C ALA A 64 -5.468 -8.349 0.304 1.00 74.34 C ATOM 1074 O ALA A 64 -4.906 -7.471 0.964 1.00 23.01 O ATOM 1075 CB ALA A 64 -5.932 -8.234 -2.165 1.00 71.12 C ATOM 0 H ALA A 64 -5.298 -10.609 -1.961 1.00 30.10 H new ATOM 0 HA ALA A 64 -3.999 -8.239 -1.245 1.00 64.42 H new ATOM 0 HB1 ALA A 64 -6.069 -7.157 -2.065 1.00 71.12 H new ATOM 0 HB2 ALA A 64 -5.528 -8.458 -3.152 1.00 71.12 H new ATOM 0 HB3 ALA A 64 -6.892 -8.735 -2.044 1.00 71.12 H new ATOM 1081 N GLU A 65 -6.531 -9.016 0.755 1.00 31.33 N ATOM 1082 CA GLU A 65 -7.049 -8.797 2.110 1.00 73.31 C ATOM 1083 C GLU A 65 -6.046 -9.268 3.168 1.00 45.10 C ATOM 1084 O GLU A 65 -5.903 -8.645 4.211 1.00 61.03 O ATOM 1085 CB GLU A 65 -8.378 -9.534 2.329 1.00 32.13 C ATOM 1086 CG GLU A 65 -8.969 -9.300 3.724 1.00 33.14 C ATOM 1087 CD GLU A 65 -10.103 -10.251 4.067 1.00 44.32 C ATOM 1088 OE1 GLU A 65 -11.177 -10.150 3.443 1.00 1.51 O ATOM 1089 OE2 GLU A 65 -9.933 -11.092 4.979 1.00 11.20 O ATOM 0 H GLU A 65 -7.047 -9.706 0.210 1.00 31.33 H new ATOM 0 HA GLU A 65 -7.212 -7.724 2.214 1.00 73.31 H new ATOM 0 HB2 GLU A 65 -9.096 -9.208 1.577 1.00 32.13 H new ATOM 0 HB3 GLU A 65 -8.223 -10.603 2.180 1.00 32.13 H new ATOM 0 HG2 GLU A 65 -8.179 -9.406 4.467 1.00 33.14 H new ATOM 0 HG3 GLU A 65 -9.333 -8.275 3.789 1.00 33.14 H new ATOM 1096 N LYS A 66 -5.346 -10.364 2.872 1.00 62.25 N ATOM 1097 CA LYS A 66 -4.453 -11.023 3.838 1.00 73.32 C ATOM 1098 C LYS A 66 -3.463 -10.035 4.477 1.00 32.41 C ATOM 1099 O LYS A 66 -3.150 -10.135 5.666 1.00 5.33 O ATOM 1100 CB LYS A 66 -3.701 -12.173 3.148 1.00 72.02 C ATOM 1101 CG LYS A 66 -3.056 -13.172 4.103 1.00 52.41 C ATOM 1102 CD LYS A 66 -4.062 -13.695 5.131 1.00 14.44 C ATOM 1103 CE LYS A 66 -3.704 -15.090 5.628 1.00 43.40 C ATOM 1104 NZ LYS A 66 -3.814 -16.103 4.543 1.00 63.42 N ATOM 0 H LYS A 66 -5.379 -10.822 1.961 1.00 62.25 H new ATOM 0 HA LYS A 66 -5.068 -11.423 4.644 1.00 73.32 H new ATOM 0 HB2 LYS A 66 -4.396 -12.707 2.499 1.00 72.02 H new ATOM 0 HB3 LYS A 66 -2.927 -11.751 2.507 1.00 72.02 H new ATOM 0 HG2 LYS A 66 -2.647 -14.008 3.535 1.00 52.41 H new ATOM 0 HG3 LYS A 66 -2.221 -12.697 4.618 1.00 52.41 H new ATOM 0 HD2 LYS A 66 -4.104 -13.009 5.977 1.00 14.44 H new ATOM 0 HD3 LYS A 66 -5.057 -13.714 4.686 1.00 14.44 H new ATOM 0 HE2 LYS A 66 -2.688 -15.087 6.022 1.00 43.40 H new ATOM 0 HE3 LYS A 66 -4.364 -15.364 6.451 1.00 43.40 H new ATOM 0 HZ1 LYS A 66 -3.952 -17.045 4.961 1.00 63.42 H new ATOM 0 HZ2 LYS A 66 -4.625 -15.872 3.934 1.00 63.42 H new ATOM 0 HZ3 LYS A 66 -2.943 -16.100 3.975 1.00 63.42 H new ATOM 1118 N ALA A 67 -2.980 -9.078 3.686 1.00 3.32 N ATOM 1119 CA ALA A 67 -2.123 -8.008 4.204 1.00 73.02 C ATOM 1120 C ALA A 67 -2.867 -7.170 5.258 1.00 4.40 C ATOM 1121 O ALA A 67 -2.393 -6.993 6.381 1.00 21.12 O ATOM 1122 CB ALA A 67 -1.640 -7.121 3.061 1.00 5.31 C ATOM 0 H ALA A 67 -3.166 -9.020 2.685 1.00 3.32 H new ATOM 0 HA ALA A 67 -1.258 -8.464 4.685 1.00 73.02 H new ATOM 0 HB1 ALA A 67 -1.004 -6.330 3.458 1.00 5.31 H new ATOM 0 HB2 ALA A 67 -1.072 -7.721 2.350 1.00 5.31 H new ATOM 0 HB3 ALA A 67 -2.499 -6.678 2.557 1.00 5.31 H new ATOM 1128 N ILE A 68 -4.054 -6.689 4.893 1.00 72.15 N ATOM 1129 CA ILE A 68 -4.885 -5.871 5.791 1.00 71.15 C ATOM 1130 C ILE A 68 -5.410 -6.714 6.966 1.00 61.54 C ATOM 1131 O ILE A 68 -5.673 -6.210 8.059 1.00 63.25 O ATOM 1132 CB ILE A 68 -6.099 -5.266 5.031 1.00 61.21 C ATOM 1133 CG1 ILE A 68 -5.679 -4.759 3.638 1.00 24.40 C ATOM 1134 CG2 ILE A 68 -6.743 -4.140 5.844 1.00 5.32 C ATOM 1135 CD1 ILE A 68 -4.546 -3.753 3.651 1.00 3.02 C ATOM 0 H ILE A 68 -4.469 -6.850 3.975 1.00 72.15 H new ATOM 0 HA ILE A 68 -4.256 -5.065 6.169 1.00 71.15 H new ATOM 0 HB ILE A 68 -6.838 -6.055 4.896 1.00 61.21 H new ATOM 0 HG12 ILE A 68 -5.383 -5.613 3.029 1.00 24.40 H new ATOM 0 HG13 ILE A 68 -6.544 -4.306 3.154 1.00 24.40 H new ATOM 0 HG21 ILE A 68 -7.590 -3.732 5.293 1.00 5.32 H new ATOM 0 HG22 ILE A 68 -7.088 -4.533 6.800 1.00 5.32 H new ATOM 0 HG23 ILE A 68 -6.010 -3.352 6.019 1.00 5.32 H new ATOM 0 HD11 ILE A 68 -4.316 -3.451 2.629 1.00 3.02 H new ATOM 0 HD12 ILE A 68 -4.843 -2.879 4.230 1.00 3.02 H new ATOM 0 HD13 ILE A 68 -3.663 -4.205 4.103 1.00 3.02 H new ATOM 1147 N ARG A 69 -5.536 -8.010 6.716 1.00 44.14 N ATOM 1148 CA ARG A 69 -6.069 -8.972 7.681 1.00 70.11 C ATOM 1149 C ARG A 69 -5.097 -9.165 8.853 1.00 52.35 C ATOM 1150 O ARG A 69 -5.513 -9.334 10.000 1.00 4.41 O ATOM 1151 CB ARG A 69 -6.328 -10.296 6.949 1.00 54.02 C ATOM 1152 CG ARG A 69 -7.095 -11.344 7.746 1.00 72.11 C ATOM 1153 CD ARG A 69 -7.460 -12.534 6.862 1.00 24.15 C ATOM 1154 NE ARG A 69 -8.197 -13.570 7.586 1.00 60.34 N ATOM 1155 CZ ARG A 69 -9.348 -14.054 7.202 1.00 22.42 C ATOM 1156 NH1 ARG A 69 -9.946 -13.579 6.156 1.00 74.43 N ATOM 1157 NH2 ARG A 69 -9.901 -15.009 7.877 1.00 43.00 N ATOM 0 H ARG A 69 -5.268 -8.432 5.827 1.00 44.14 H new ATOM 0 HA ARG A 69 -7.003 -8.599 8.101 1.00 70.11 H new ATOM 0 HB2 ARG A 69 -6.881 -10.084 6.034 1.00 54.02 H new ATOM 0 HB3 ARG A 69 -5.369 -10.720 6.651 1.00 54.02 H new ATOM 0 HG2 ARG A 69 -6.491 -11.682 8.588 1.00 72.11 H new ATOM 0 HG3 ARG A 69 -8.001 -10.902 8.161 1.00 72.11 H new ATOM 0 HD2 ARG A 69 -8.061 -12.186 6.022 1.00 24.15 H new ATOM 0 HD3 ARG A 69 -6.549 -12.965 6.446 1.00 24.15 H new ATOM 0 HE ARG A 69 -7.786 -13.937 8.444 1.00 60.34 H new ATOM 0 HH11 ARG A 69 -9.518 -12.821 5.624 1.00 74.43 H new ATOM 0 HH12 ARG A 69 -10.845 -13.963 5.864 1.00 74.43 H new ATOM 0 HH21 ARG A 69 -9.438 -15.382 8.706 1.00 43.00 H new ATOM 0 HH22 ARG A 69 -10.800 -15.389 7.580 1.00 43.00 H new ATOM 1171 N PHE A 70 -3.799 -9.130 8.556 1.00 53.22 N ATOM 1172 CA PHE A 70 -2.767 -9.157 9.598 1.00 5.44 C ATOM 1173 C PHE A 70 -2.650 -7.783 10.280 1.00 13.01 C ATOM 1174 O PHE A 70 -2.531 -7.693 11.504 1.00 70.53 O ATOM 1175 CB PHE A 70 -1.415 -9.575 9.000 1.00 51.31 C ATOM 1176 CG PHE A 70 -0.297 -9.676 10.017 1.00 41.13 C ATOM 1177 CD1 PHE A 70 -0.229 -10.756 10.889 1.00 72.55 C ATOM 1178 CD2 PHE A 70 0.684 -8.694 10.098 1.00 21.43 C ATOM 1179 CE1 PHE A 70 0.791 -10.852 11.819 1.00 60.21 C ATOM 1180 CE2 PHE A 70 1.705 -8.789 11.027 1.00 32.33 C ATOM 1181 CZ PHE A 70 1.758 -9.867 11.888 1.00 44.05 C ATOM 0 H PHE A 70 -3.435 -9.083 7.604 1.00 53.22 H new ATOM 0 HA PHE A 70 -3.057 -9.890 10.351 1.00 5.44 H new ATOM 0 HB2 PHE A 70 -1.531 -10.539 8.505 1.00 51.31 H new ATOM 0 HB3 PHE A 70 -1.130 -8.855 8.233 1.00 51.31 H new ATOM 0 HD1 PHE A 70 -0.981 -11.529 10.840 1.00 72.55 H new ATOM 0 HD2 PHE A 70 0.649 -7.848 9.428 1.00 21.43 H new ATOM 0 HE1 PHE A 70 0.831 -11.697 12.491 1.00 60.21 H new ATOM 0 HE2 PHE A 70 2.461 -8.019 11.079 1.00 32.33 H new ATOM 0 HZ PHE A 70 2.554 -9.940 12.614 1.00 44.05 H new ATOM 1191 N VAL A 71 -2.694 -6.715 9.477 1.00 2.13 N ATOM 1192 CA VAL A 71 -2.673 -5.339 9.997 1.00 60.22 C ATOM 1193 C VAL A 71 -3.833 -5.095 10.980 1.00 11.23 C ATOM 1194 O VAL A 71 -3.713 -4.306 11.920 1.00 11.11 O ATOM 1195 CB VAL A 71 -2.741 -4.301 8.842 1.00 52.42 C ATOM 1196 CG1 VAL A 71 -2.833 -2.874 9.383 1.00 14.45 C ATOM 1197 CG2 VAL A 71 -1.533 -4.445 7.915 1.00 74.25 C ATOM 0 H VAL A 71 -2.745 -6.775 8.460 1.00 2.13 H new ATOM 0 HA VAL A 71 -1.730 -5.212 10.529 1.00 60.22 H new ATOM 0 HB VAL A 71 -3.646 -4.502 8.268 1.00 52.42 H new ATOM 0 HG11 VAL A 71 -2.879 -2.172 8.551 1.00 14.45 H new ATOM 0 HG12 VAL A 71 -3.731 -2.773 9.993 1.00 14.45 H new ATOM 0 HG13 VAL A 71 -1.955 -2.658 9.992 1.00 14.45 H new ATOM 0 HG21 VAL A 71 -1.600 -3.709 7.113 1.00 74.25 H new ATOM 0 HG22 VAL A 71 -0.617 -4.281 8.483 1.00 74.25 H new ATOM 0 HG23 VAL A 71 -1.520 -5.448 7.487 1.00 74.25 H new ATOM 1207 N LYS A 72 -4.949 -5.785 10.755 1.00 63.54 N ATOM 1208 CA LYS A 72 -6.097 -5.745 11.669 1.00 30.12 C ATOM 1209 C LYS A 72 -5.662 -5.995 13.126 1.00 53.13 C ATOM 1210 O LYS A 72 -6.071 -5.282 14.045 1.00 14.44 O ATOM 1211 CB LYS A 72 -7.119 -6.811 11.251 1.00 14.24 C ATOM 1212 CG LYS A 72 -8.386 -6.835 12.103 1.00 21.03 C ATOM 1213 CD LYS A 72 -9.184 -8.124 11.897 1.00 15.10 C ATOM 1214 CE LYS A 72 -9.588 -8.335 10.440 1.00 64.14 C ATOM 1215 NZ LYS A 72 -10.335 -9.609 10.255 1.00 62.02 N ATOM 0 H LYS A 72 -5.087 -6.385 9.941 1.00 63.54 H new ATOM 0 HA LYS A 72 -6.544 -4.753 11.612 1.00 30.12 H new ATOM 0 HB2 LYS A 72 -7.398 -6.642 10.211 1.00 14.24 H new ATOM 0 HB3 LYS A 72 -6.644 -7.791 11.299 1.00 14.24 H new ATOM 0 HG2 LYS A 72 -8.119 -6.737 13.155 1.00 21.03 H new ATOM 0 HG3 LYS A 72 -9.010 -5.977 11.851 1.00 21.03 H new ATOM 0 HD2 LYS A 72 -8.589 -8.973 12.232 1.00 15.10 H new ATOM 0 HD3 LYS A 72 -10.079 -8.097 12.519 1.00 15.10 H new ATOM 0 HE2 LYS A 72 -10.205 -7.500 10.109 1.00 64.14 H new ATOM 0 HE3 LYS A 72 -8.697 -8.341 9.812 1.00 64.14 H new ATOM 0 HZ1 LYS A 72 -10.593 -9.718 9.253 1.00 62.02 H new ATOM 0 HZ2 LYS A 72 -9.737 -10.408 10.548 1.00 62.02 H new ATOM 0 HZ3 LYS A 72 -11.198 -9.593 10.835 1.00 62.02 H new ATOM 1229 N SER A 73 -4.803 -7.000 13.313 1.00 21.04 N ATOM 1230 CA SER A 73 -4.333 -7.408 14.650 1.00 1.54 C ATOM 1231 C SER A 73 -3.520 -6.306 15.354 1.00 42.10 C ATOM 1232 O SER A 73 -3.295 -6.367 16.565 1.00 24.02 O ATOM 1233 CB SER A 73 -3.478 -8.680 14.542 1.00 62.24 C ATOM 1234 OG SER A 73 -2.962 -9.072 15.807 1.00 5.23 O ATOM 0 H SER A 73 -4.413 -7.554 12.551 1.00 21.04 H new ATOM 0 HA SER A 73 -5.221 -7.599 15.253 1.00 1.54 H new ATOM 0 HB2 SER A 73 -4.079 -9.489 14.127 1.00 62.24 H new ATOM 0 HB3 SER A 73 -2.654 -8.508 13.850 1.00 62.24 H new ATOM 0 HG SER A 73 -3.075 -8.339 16.448 1.00 5.23 H new ATOM 1240 N LEU A 74 -3.079 -5.305 14.598 1.00 72.14 N ATOM 1241 CA LEU A 74 -2.289 -4.200 15.157 1.00 14.21 C ATOM 1242 C LEU A 74 -3.159 -3.221 15.961 1.00 11.11 C ATOM 1243 O LEU A 74 -2.686 -2.592 16.910 1.00 61.25 O ATOM 1244 CB LEU A 74 -1.574 -3.443 14.032 1.00 21.03 C ATOM 1245 CG LEU A 74 -0.625 -4.289 13.172 1.00 20.25 C ATOM 1246 CD1 LEU A 74 -0.038 -3.452 12.038 1.00 64.11 C ATOM 1247 CD2 LEU A 74 0.481 -4.897 14.033 1.00 43.33 C ATOM 0 H LEU A 74 -3.253 -5.232 13.596 1.00 72.14 H new ATOM 0 HA LEU A 74 -1.556 -4.635 15.837 1.00 14.21 H new ATOM 0 HB2 LEU A 74 -2.326 -2.996 13.382 1.00 21.03 H new ATOM 0 HB3 LEU A 74 -1.006 -2.623 14.472 1.00 21.03 H new ATOM 0 HG LEU A 74 -1.195 -5.105 12.729 1.00 20.25 H new ATOM 0 HD11 LEU A 74 0.632 -4.069 11.440 1.00 64.11 H new ATOM 0 HD12 LEU A 74 -0.844 -3.076 11.408 1.00 64.11 H new ATOM 0 HD13 LEU A 74 0.518 -2.612 12.456 1.00 64.11 H new ATOM 0 HD21 LEU A 74 1.144 -5.493 13.406 1.00 43.33 H new ATOM 0 HD22 LEU A 74 1.052 -4.099 14.509 1.00 43.33 H new ATOM 0 HD23 LEU A 74 0.038 -5.533 14.799 1.00 43.33 H new ATOM 1259 N GLY A 75 -4.427 -3.093 15.572 1.00 33.15 N ATOM 1260 CA GLY A 75 -5.326 -2.146 16.227 1.00 13.22 C ATOM 1261 C GLY A 75 -4.827 -0.702 16.163 1.00 23.44 C ATOM 1262 O GLY A 75 -4.872 0.027 17.155 1.00 14.42 O ATOM 0 H GLY A 75 -4.851 -3.628 14.814 1.00 33.15 H new ATOM 0 HA2 GLY A 75 -6.309 -2.205 15.760 1.00 13.22 H new ATOM 0 HA3 GLY A 75 -5.451 -2.435 17.271 1.00 13.22 H new ATOM 1266 N ALA A 76 -4.349 -0.288 14.990 1.00 74.25 N ATOM 1267 CA ALA A 76 -3.823 1.070 14.794 1.00 32.21 C ATOM 1268 C ALA A 76 -4.266 1.649 13.445 1.00 34.12 C ATOM 1269 O ALA A 76 -4.611 0.904 12.525 1.00 3.25 O ATOM 1270 CB ALA A 76 -2.299 1.061 14.888 1.00 55.04 C ATOM 0 H ALA A 76 -4.314 -0.874 14.156 1.00 74.25 H new ATOM 0 HA ALA A 76 -4.227 1.706 15.582 1.00 32.21 H new ATOM 0 HB1 ALA A 76 -1.919 2.072 14.741 1.00 55.04 H new ATOM 0 HB2 ALA A 76 -1.997 0.699 15.871 1.00 55.04 H new ATOM 0 HB3 ALA A 76 -1.891 0.405 14.119 1.00 55.04 H new ATOM 1276 N GLN A 77 -4.254 2.977 13.329 1.00 4.24 N ATOM 1277 CA GLN A 77 -4.631 3.634 12.075 1.00 51.21 C ATOM 1278 C GLN A 77 -3.469 3.639 11.067 1.00 41.01 C ATOM 1279 O GLN A 77 -2.409 4.222 11.311 1.00 12.51 O ATOM 1280 CB GLN A 77 -5.126 5.072 12.324 1.00 41.52 C ATOM 1281 CG GLN A 77 -4.101 6.004 12.967 1.00 71.04 C ATOM 1282 CD GLN A 77 -4.590 7.442 13.040 1.00 25.01 C ATOM 1283 OE1 GLN A 77 -5.209 7.858 14.014 1.00 53.42 O ATOM 1284 NE2 GLN A 77 -4.330 8.212 12.002 1.00 33.13 N ATOM 0 H GLN A 77 -3.990 3.615 14.080 1.00 4.24 H new ATOM 0 HA GLN A 77 -5.450 3.056 11.646 1.00 51.21 H new ATOM 0 HB2 GLN A 77 -5.440 5.502 11.373 1.00 41.52 H new ATOM 0 HB3 GLN A 77 -6.009 5.031 12.962 1.00 41.52 H new ATOM 0 HG2 GLN A 77 -3.872 5.650 13.972 1.00 71.04 H new ATOM 0 HG3 GLN A 77 -3.173 5.967 12.397 1.00 71.04 H new ATOM 0 HE21 GLN A 77 -3.813 7.838 11.206 1.00 33.13 H new ATOM 0 HE22 GLN A 77 -4.646 9.182 11.995 1.00 33.13 H new ATOM 1293 N VAL A 78 -3.673 2.964 9.943 1.00 13.20 N ATOM 1294 CA VAL A 78 -2.703 2.963 8.847 1.00 14.23 C ATOM 1295 C VAL A 78 -3.336 3.518 7.565 1.00 21.22 C ATOM 1296 O VAL A 78 -4.508 3.266 7.281 1.00 22.02 O ATOM 1297 CB VAL A 78 -2.142 1.543 8.577 1.00 24.02 C ATOM 1298 CG1 VAL A 78 -1.314 1.048 9.763 1.00 11.02 C ATOM 1299 CG2 VAL A 78 -3.268 0.563 8.261 1.00 44.34 C ATOM 0 H VAL A 78 -4.507 2.405 9.763 1.00 13.20 H new ATOM 0 HA VAL A 78 -1.875 3.605 9.150 1.00 14.23 H new ATOM 0 HB VAL A 78 -1.488 1.602 7.707 1.00 24.02 H new ATOM 0 HG11 VAL A 78 -0.932 0.050 9.549 1.00 11.02 H new ATOM 0 HG12 VAL A 78 -0.479 1.728 9.933 1.00 11.02 H new ATOM 0 HG13 VAL A 78 -1.940 1.013 10.655 1.00 11.02 H new ATOM 0 HG21 VAL A 78 -2.848 -0.426 8.075 1.00 44.34 H new ATOM 0 HG22 VAL A 78 -3.955 0.513 9.106 1.00 44.34 H new ATOM 0 HG23 VAL A 78 -3.806 0.901 7.375 1.00 44.34 H new ATOM 1309 N LEU A 79 -2.560 4.282 6.805 1.00 45.23 N ATOM 1310 CA LEU A 79 -3.051 4.888 5.563 1.00 54.44 C ATOM 1311 C LEU A 79 -2.721 3.996 4.357 1.00 42.34 C ATOM 1312 O LEU A 79 -1.565 3.850 3.968 1.00 20.34 O ATOM 1313 CB LEU A 79 -2.455 6.294 5.403 1.00 74.30 C ATOM 1314 CG LEU A 79 -2.915 7.092 4.169 1.00 72.02 C ATOM 1315 CD1 LEU A 79 -4.429 7.011 3.986 1.00 12.41 C ATOM 1316 CD2 LEU A 79 -2.488 8.547 4.307 1.00 23.01 C ATOM 0 H LEU A 79 -1.588 4.499 7.023 1.00 45.23 H new ATOM 0 HA LEU A 79 -4.136 4.979 5.612 1.00 54.44 H new ATOM 0 HB2 LEU A 79 -2.698 6.872 6.295 1.00 74.30 H new ATOM 0 HB3 LEU A 79 -1.369 6.204 5.367 1.00 74.30 H new ATOM 0 HG LEU A 79 -2.445 6.654 3.289 1.00 72.02 H new ATOM 0 HD11 LEU A 79 -4.720 7.585 3.106 1.00 12.41 H new ATOM 0 HD12 LEU A 79 -4.724 5.970 3.854 1.00 12.41 H new ATOM 0 HD13 LEU A 79 -4.924 7.420 4.867 1.00 12.41 H new ATOM 0 HD21 LEU A 79 -2.816 9.107 3.431 1.00 23.01 H new ATOM 0 HD22 LEU A 79 -2.940 8.975 5.202 1.00 23.01 H new ATOM 0 HD23 LEU A 79 -1.402 8.602 4.387 1.00 23.01 H new ATOM 1328 N ILE A 80 -3.753 3.404 3.770 1.00 51.32 N ATOM 1329 CA ILE A 80 -3.584 2.393 2.724 1.00 54.13 C ATOM 1330 C ILE A 80 -3.870 2.961 1.327 1.00 23.15 C ATOM 1331 O ILE A 80 -4.964 3.447 1.056 1.00 11.13 O ATOM 1332 CB ILE A 80 -4.521 1.189 2.993 1.00 5.22 C ATOM 1333 CG1 ILE A 80 -4.282 0.644 4.413 1.00 25.43 C ATOM 1334 CG2 ILE A 80 -4.308 0.093 1.947 1.00 24.52 C ATOM 1335 CD1 ILE A 80 -5.304 -0.378 4.857 1.00 3.42 C ATOM 0 H ILE A 80 -4.726 3.606 4.000 1.00 51.32 H new ATOM 0 HA ILE A 80 -2.544 2.068 2.750 1.00 54.13 H new ATOM 0 HB ILE A 80 -5.555 1.526 2.918 1.00 5.22 H new ATOM 0 HG12 ILE A 80 -3.290 0.194 4.457 1.00 25.43 H new ATOM 0 HG13 ILE A 80 -4.286 1.477 5.117 1.00 25.43 H new ATOM 0 HG21 ILE A 80 -4.976 -0.743 2.155 1.00 24.52 H new ATOM 0 HG22 ILE A 80 -4.522 0.490 0.955 1.00 24.52 H new ATOM 0 HG23 ILE A 80 -3.274 -0.250 1.985 1.00 24.52 H new ATOM 0 HD11 ILE A 80 -5.068 -0.714 5.867 1.00 3.42 H new ATOM 0 HD12 ILE A 80 -6.297 0.072 4.847 1.00 3.42 H new ATOM 0 HD13 ILE A 80 -5.285 -1.230 4.177 1.00 3.42 H new ATOM 1347 N ILE A 81 -2.876 2.905 0.442 1.00 24.41 N ATOM 1348 CA ILE A 81 -3.049 3.337 -0.950 1.00 45.32 C ATOM 1349 C ILE A 81 -3.134 2.128 -1.887 1.00 73.33 C ATOM 1350 O ILE A 81 -2.167 1.385 -2.046 1.00 32.33 O ATOM 1351 CB ILE A 81 -1.889 4.252 -1.417 1.00 12.15 C ATOM 1352 CG1 ILE A 81 -1.744 5.458 -0.477 1.00 62.22 C ATOM 1353 CG2 ILE A 81 -2.120 4.714 -2.858 1.00 4.52 C ATOM 1354 CD1 ILE A 81 -0.682 6.448 -0.912 1.00 1.24 C ATOM 0 H ILE A 81 -1.940 2.565 0.662 1.00 24.41 H new ATOM 0 HA ILE A 81 -3.980 3.903 -0.991 1.00 45.32 H new ATOM 0 HB ILE A 81 -0.962 3.680 -1.385 1.00 12.15 H new ATOM 0 HG12 ILE A 81 -2.702 5.973 -0.411 1.00 62.22 H new ATOM 0 HG13 ILE A 81 -1.505 5.100 0.524 1.00 62.22 H new ATOM 0 HG21 ILE A 81 -1.296 5.356 -3.171 1.00 4.52 H new ATOM 0 HG22 ILE A 81 -2.173 3.845 -3.515 1.00 4.52 H new ATOM 0 HG23 ILE A 81 -3.056 5.270 -2.916 1.00 4.52 H new ATOM 0 HD11 ILE A 81 -0.638 7.271 -0.199 1.00 1.24 H new ATOM 0 HD12 ILE A 81 0.287 5.949 -0.950 1.00 1.24 H new ATOM 0 HD13 ILE A 81 -0.929 6.836 -1.900 1.00 1.24 H new ATOM 1366 N ILE A 82 -4.293 1.931 -2.504 1.00 54.30 N ATOM 1367 CA ILE A 82 -4.505 0.786 -3.392 1.00 31.22 C ATOM 1368 C ILE A 82 -4.411 1.195 -4.872 1.00 32.34 C ATOM 1369 O ILE A 82 -4.953 2.226 -5.285 1.00 63.20 O ATOM 1370 CB ILE A 82 -5.874 0.116 -3.116 1.00 33.42 C ATOM 1371 CG1 ILE A 82 -5.980 -0.286 -1.634 1.00 31.34 C ATOM 1372 CG2 ILE A 82 -6.072 -1.102 -4.017 1.00 62.15 C ATOM 1373 CD1 ILE A 82 -7.300 -0.923 -1.259 1.00 41.34 C ATOM 0 H ILE A 82 -5.101 2.546 -2.408 1.00 54.30 H new ATOM 0 HA ILE A 82 -3.713 0.067 -3.185 1.00 31.22 H new ATOM 0 HB ILE A 82 -6.662 0.835 -3.340 1.00 33.42 H new ATOM 0 HG12 ILE A 82 -5.174 -0.981 -1.399 1.00 31.34 H new ATOM 0 HG13 ILE A 82 -5.828 0.599 -1.017 1.00 31.34 H new ATOM 0 HG21 ILE A 82 -7.040 -1.557 -3.806 1.00 62.15 H new ATOM 0 HG22 ILE A 82 -6.037 -0.792 -5.061 1.00 62.15 H new ATOM 0 HG23 ILE A 82 -5.281 -1.827 -3.827 1.00 62.15 H new ATOM 0 HD11 ILE A 82 -7.294 -1.177 -0.199 1.00 41.34 H new ATOM 0 HD12 ILE A 82 -8.112 -0.224 -1.460 1.00 41.34 H new ATOM 0 HD13 ILE A 82 -7.447 -1.828 -1.848 1.00 41.34 H new ATOM 1385 N TYR A 83 -3.720 0.375 -5.663 1.00 5.43 N ATOM 1386 CA TYR A 83 -3.488 0.657 -7.084 1.00 54.03 C ATOM 1387 C TYR A 83 -3.851 -0.549 -7.970 1.00 61.41 C ATOM 1388 O TYR A 83 -3.275 -1.631 -7.834 1.00 42.31 O ATOM 1389 CB TYR A 83 -2.016 1.047 -7.294 1.00 22.15 C ATOM 1390 CG TYR A 83 -1.583 1.111 -8.749 1.00 51.34 C ATOM 1391 CD1 TYR A 83 -2.004 2.140 -9.586 1.00 62.44 C ATOM 1392 CD2 TYR A 83 -0.741 0.138 -9.281 1.00 41.15 C ATOM 1393 CE1 TYR A 83 -1.598 2.195 -10.908 1.00 15.15 C ATOM 1394 CE2 TYR A 83 -0.331 0.190 -10.598 1.00 64.50 C ATOM 1395 CZ TYR A 83 -0.760 1.219 -11.407 1.00 23.13 C ATOM 1396 OH TYR A 83 -0.346 1.270 -12.721 1.00 41.34 O ATOM 0 H TYR A 83 -3.306 -0.500 -5.341 1.00 5.43 H new ATOM 0 HA TYR A 83 -4.134 1.484 -7.378 1.00 54.03 H new ATOM 0 HB2 TYR A 83 -1.841 2.019 -6.833 1.00 22.15 H new ATOM 0 HB3 TYR A 83 -1.385 0.328 -6.771 1.00 22.15 H new ATOM 0 HD1 TYR A 83 -2.658 2.907 -9.198 1.00 62.44 H new ATOM 0 HD2 TYR A 83 -0.403 -0.672 -8.652 1.00 41.15 H new ATOM 0 HE1 TYR A 83 -1.936 2.998 -11.546 1.00 15.15 H new ATOM 0 HE2 TYR A 83 0.324 -0.573 -10.993 1.00 64.50 H new ATOM 0 HH TYR A 83 -0.996 0.804 -13.287 1.00 41.34 H new ATOM 1406 N ASP A 84 -4.800 -0.343 -8.880 1.00 2.03 N ATOM 1407 CA ASP A 84 -5.210 -1.378 -9.838 1.00 15.51 C ATOM 1408 C ASP A 84 -5.684 -0.741 -11.154 1.00 71.11 C ATOM 1409 O ASP A 84 -6.089 0.422 -11.185 1.00 10.23 O ATOM 1410 CB ASP A 84 -6.317 -2.264 -9.240 1.00 33.33 C ATOM 1411 CG ASP A 84 -6.684 -3.431 -10.149 1.00 3.01 C ATOM 1412 OD1 ASP A 84 -5.765 -4.045 -10.737 1.00 72.11 O ATOM 1413 OD2 ASP A 84 -7.885 -3.730 -10.296 1.00 30.23 O ATOM 0 H ASP A 84 -5.306 0.537 -8.978 1.00 2.03 H new ATOM 0 HA ASP A 84 -4.345 -2.006 -10.051 1.00 15.51 H new ATOM 0 HB2 ASP A 84 -5.988 -2.649 -8.275 1.00 33.33 H new ATOM 0 HB3 ASP A 84 -7.204 -1.658 -9.056 1.00 33.33 H new ATOM 1418 N GLN A 85 -5.628 -1.515 -12.232 1.00 24.43 N ATOM 1419 CA GLN A 85 -5.992 -1.020 -13.565 1.00 53.41 C ATOM 1420 C GLN A 85 -7.513 -1.010 -13.779 1.00 3.51 C ATOM 1421 O GLN A 85 -8.013 -0.393 -14.725 1.00 70.02 O ATOM 1422 CB GLN A 85 -5.321 -1.884 -14.640 1.00 11.40 C ATOM 1423 CG GLN A 85 -3.796 -1.881 -14.576 1.00 34.31 C ATOM 1424 CD GLN A 85 -3.194 -0.494 -14.739 1.00 22.44 C ATOM 1425 OE1 GLN A 85 -2.068 -0.260 -14.097 1.00 40.10 O flip ATOM 1426 NE2 GLN A 85 -3.731 0.363 -15.436 1.00 70.03 N flip ATOM 0 H GLN A 85 -5.334 -2.491 -12.214 1.00 24.43 H new ATOM 0 HA GLN A 85 -5.641 0.009 -13.643 1.00 53.41 H new ATOM 0 HB2 GLN A 85 -5.677 -2.910 -14.541 1.00 11.40 H new ATOM 0 HB3 GLN A 85 -5.634 -1.531 -15.623 1.00 11.40 H new ATOM 0 HG2 GLN A 85 -3.478 -2.299 -13.621 1.00 34.31 H new ATOM 0 HG3 GLN A 85 -3.404 -2.534 -15.356 1.00 34.31 H new ATOM 0 HE21 GLN A 85 -4.603 0.153 -15.921 1.00 70.03 H new ATOM 0 HE22 GLN A 85 -3.305 1.285 -15.529 1.00 70.03 H new ATOM 1435 N ASP A 86 -8.247 -1.701 -12.912 1.00 31.31 N ATOM 1436 CA ASP A 86 -9.705 -1.769 -13.015 1.00 73.11 C ATOM 1437 C ASP A 86 -10.372 -0.911 -11.925 1.00 34.41 C ATOM 1438 O ASP A 86 -10.216 -1.169 -10.731 1.00 4.23 O ATOM 1439 CB ASP A 86 -10.165 -3.225 -12.909 1.00 73.45 C ATOM 1440 CG ASP A 86 -11.617 -3.411 -13.312 1.00 5.34 C ATOM 1441 OD1 ASP A 86 -12.515 -3.007 -12.546 1.00 32.13 O ATOM 1442 OD2 ASP A 86 -11.872 -3.968 -14.400 1.00 12.12 O ATOM 0 H ASP A 86 -7.857 -2.224 -12.128 1.00 31.31 H new ATOM 0 HA ASP A 86 -10.005 -1.372 -13.985 1.00 73.11 H new ATOM 0 HB2 ASP A 86 -9.534 -3.848 -13.542 1.00 73.45 H new ATOM 0 HB3 ASP A 86 -10.029 -3.571 -11.884 1.00 73.45 H new ATOM 1447 N GLN A 87 -11.128 0.102 -12.348 1.00 32.05 N ATOM 1448 CA GLN A 87 -11.763 1.047 -11.419 1.00 10.24 C ATOM 1449 C GLN A 87 -12.805 0.356 -10.514 1.00 74.40 C ATOM 1450 O GLN A 87 -12.925 0.681 -9.329 1.00 23.10 O ATOM 1451 CB GLN A 87 -12.413 2.198 -12.205 1.00 4.34 C ATOM 1452 CG GLN A 87 -11.430 2.983 -13.072 1.00 3.32 C ATOM 1453 CD GLN A 87 -12.088 4.125 -13.835 1.00 0.55 C ATOM 1454 OE1 GLN A 87 -12.167 5.251 -13.352 1.00 33.23 O ATOM 1455 NE2 GLN A 87 -12.561 3.850 -15.035 1.00 43.04 N ATOM 0 H GLN A 87 -11.318 0.293 -13.332 1.00 32.05 H new ATOM 0 HA GLN A 87 -10.985 1.447 -10.768 1.00 10.24 H new ATOM 0 HB2 GLN A 87 -13.200 1.793 -12.840 1.00 4.34 H new ATOM 0 HB3 GLN A 87 -12.890 2.882 -11.503 1.00 4.34 H new ATOM 0 HG2 GLN A 87 -10.638 3.385 -12.440 1.00 3.32 H new ATOM 0 HG3 GLN A 87 -10.958 2.304 -13.782 1.00 3.32 H new ATOM 0 HE21 GLN A 87 -12.481 2.905 -15.410 1.00 43.04 H new ATOM 0 HE22 GLN A 87 -13.007 4.582 -15.588 1.00 43.04 H new ATOM 1464 N ASN A 88 -13.543 -0.604 -11.073 1.00 62.12 N ATOM 1465 CA ASN A 88 -14.560 -1.339 -10.312 1.00 52.42 C ATOM 1466 C ASN A 88 -13.918 -2.218 -9.225 1.00 13.42 C ATOM 1467 O ASN A 88 -14.366 -2.222 -8.075 1.00 12.34 O ATOM 1468 CB ASN A 88 -15.420 -2.190 -11.253 1.00 31.53 C ATOM 1469 CG ASN A 88 -16.415 -3.058 -10.505 1.00 34.23 C ATOM 1470 OD1 ASN A 88 -17.521 -2.634 -10.188 1.00 24.10 O ATOM 1471 ND2 ASN A 88 -16.039 -4.291 -10.234 1.00 42.54 N ATOM 0 H ASN A 88 -13.458 -0.892 -12.048 1.00 62.12 H new ATOM 0 HA ASN A 88 -15.200 -0.610 -9.816 1.00 52.42 H new ATOM 0 HB2 ASN A 88 -15.957 -1.536 -11.940 1.00 31.53 H new ATOM 0 HB3 ASN A 88 -14.772 -2.824 -11.858 1.00 31.53 H new ATOM 0 HD21 ASN A 88 -16.675 -4.923 -9.747 1.00 42.54 H new ATOM 0 HD22 ASN A 88 -15.112 -4.614 -10.511 1.00 42.54 H new ATOM 1478 N ARG A 89 -12.864 -2.956 -9.591 1.00 73.11 N ATOM 1479 CA ARG A 89 -12.119 -3.771 -8.618 1.00 61.22 C ATOM 1480 C ARG A 89 -11.507 -2.878 -7.533 1.00 74.13 C ATOM 1481 O ARG A 89 -11.644 -3.143 -6.337 1.00 15.52 O ATOM 1482 CB ARG A 89 -10.993 -4.557 -9.304 1.00 72.21 C ATOM 1483 CG ARG A 89 -11.445 -5.459 -10.447 1.00 65.40 C ATOM 1484 CD ARG A 89 -12.383 -6.569 -9.988 1.00 23.31 C ATOM 1485 NE ARG A 89 -12.709 -7.476 -11.085 1.00 14.43 N ATOM 1486 CZ ARG A 89 -13.697 -8.329 -11.073 1.00 22.23 C ATOM 1487 NH1 ARG A 89 -14.498 -8.400 -10.059 1.00 23.02 N ATOM 1488 NH2 ARG A 89 -13.891 -9.104 -12.087 1.00 4.35 N ATOM 0 H ARG A 89 -12.508 -3.008 -10.545 1.00 73.11 H new ATOM 0 HA ARG A 89 -12.823 -4.472 -8.169 1.00 61.22 H new ATOM 0 HB2 ARG A 89 -10.257 -3.850 -9.687 1.00 72.21 H new ATOM 0 HB3 ARG A 89 -10.488 -5.168 -8.556 1.00 72.21 H new ATOM 0 HG2 ARG A 89 -11.947 -4.855 -11.203 1.00 65.40 H new ATOM 0 HG3 ARG A 89 -10.570 -5.902 -10.922 1.00 65.40 H new ATOM 0 HD2 ARG A 89 -11.918 -7.129 -9.177 1.00 23.31 H new ATOM 0 HD3 ARG A 89 -13.299 -6.132 -9.590 1.00 23.31 H new ATOM 0 HE ARG A 89 -12.123 -7.441 -11.919 1.00 14.43 H new ATOM 0 HH11 ARG A 89 -14.361 -7.785 -9.257 1.00 23.02 H new ATOM 0 HH12 ARG A 89 -15.266 -9.071 -10.062 1.00 23.02 H new ATOM 0 HH21 ARG A 89 -13.273 -9.049 -12.896 1.00 4.35 H new ATOM 0 HH22 ARG A 89 -14.663 -9.771 -12.079 1.00 4.35 H new ATOM 1502 N LEU A 90 -10.837 -1.817 -7.979 1.00 4.52 N ATOM 1503 CA LEU A 90 -10.191 -0.846 -7.091 1.00 74.13 C ATOM 1504 C LEU A 90 -11.140 -0.376 -5.973 1.00 4.41 C ATOM 1505 O LEU A 90 -10.822 -0.482 -4.786 1.00 44.03 O ATOM 1506 CB LEU A 90 -9.710 0.356 -7.920 1.00 31.35 C ATOM 1507 CG LEU A 90 -8.911 1.423 -7.156 1.00 61.21 C ATOM 1508 CD1 LEU A 90 -7.648 0.825 -6.547 1.00 71.42 C ATOM 1509 CD2 LEU A 90 -8.566 2.591 -8.076 1.00 60.35 C ATOM 0 H LEU A 90 -10.725 -1.604 -8.970 1.00 4.52 H new ATOM 0 HA LEU A 90 -9.341 -1.331 -6.612 1.00 74.13 H new ATOM 0 HB2 LEU A 90 -9.093 -0.015 -8.738 1.00 31.35 H new ATOM 0 HB3 LEU A 90 -10.580 0.834 -8.369 1.00 31.35 H new ATOM 0 HG LEU A 90 -9.532 1.797 -6.342 1.00 61.21 H new ATOM 0 HD11 LEU A 90 -7.100 1.600 -6.012 1.00 71.42 H new ATOM 0 HD12 LEU A 90 -7.920 0.029 -5.854 1.00 71.42 H new ATOM 0 HD13 LEU A 90 -7.020 0.418 -7.339 1.00 71.42 H new ATOM 0 HD21 LEU A 90 -8.000 3.338 -7.519 1.00 60.35 H new ATOM 0 HD22 LEU A 90 -7.967 2.231 -8.912 1.00 60.35 H new ATOM 0 HD23 LEU A 90 -9.484 3.040 -8.455 1.00 60.35 H new ATOM 1521 N GLU A 91 -12.313 0.123 -6.359 1.00 74.12 N ATOM 1522 CA GLU A 91 -13.302 0.613 -5.389 1.00 54.24 C ATOM 1523 C GLU A 91 -13.941 -0.528 -4.579 1.00 2.10 C ATOM 1524 O GLU A 91 -14.199 -0.376 -3.382 1.00 23.54 O ATOM 1525 CB GLU A 91 -14.400 1.416 -6.097 1.00 42.02 C ATOM 1526 CG GLU A 91 -13.909 2.704 -6.748 1.00 74.22 C ATOM 1527 CD GLU A 91 -15.052 3.551 -7.285 1.00 20.05 C ATOM 1528 OE1 GLU A 91 -15.711 4.244 -6.478 1.00 4.12 O ATOM 1529 OE2 GLU A 91 -15.308 3.520 -8.505 1.00 64.31 O ATOM 0 H GLU A 91 -12.605 0.200 -7.333 1.00 74.12 H new ATOM 0 HA GLU A 91 -12.766 1.258 -4.693 1.00 54.24 H new ATOM 0 HB2 GLU A 91 -14.859 0.788 -6.860 1.00 42.02 H new ATOM 0 HB3 GLU A 91 -15.179 1.661 -5.375 1.00 42.02 H new ATOM 0 HG2 GLU A 91 -13.341 3.283 -6.020 1.00 74.22 H new ATOM 0 HG3 GLU A 91 -13.227 2.460 -7.562 1.00 74.22 H new ATOM 1536 N GLU A 92 -14.194 -1.662 -5.229 1.00 25.14 N ATOM 1537 CA GLU A 92 -14.866 -2.797 -4.577 1.00 24.52 C ATOM 1538 C GLU A 92 -14.024 -3.374 -3.425 1.00 71.45 C ATOM 1539 O GLU A 92 -14.550 -3.702 -2.359 1.00 62.04 O ATOM 1540 CB GLU A 92 -15.179 -3.894 -5.605 1.00 43.41 C ATOM 1541 CG GLU A 92 -16.020 -5.043 -5.051 1.00 63.20 C ATOM 1542 CD GLU A 92 -17.390 -4.591 -4.562 1.00 64.41 C ATOM 1543 OE1 GLU A 92 -18.321 -4.488 -5.388 1.00 21.30 O ATOM 1544 OE2 GLU A 92 -17.545 -4.332 -3.349 1.00 24.21 O ATOM 0 H GLU A 92 -13.946 -1.825 -6.205 1.00 25.14 H new ATOM 0 HA GLU A 92 -15.799 -2.426 -4.152 1.00 24.52 H new ATOM 0 HB2 GLU A 92 -15.704 -3.447 -6.449 1.00 43.41 H new ATOM 0 HB3 GLU A 92 -14.241 -4.296 -5.989 1.00 43.41 H new ATOM 0 HG2 GLU A 92 -16.147 -5.800 -5.825 1.00 63.20 H new ATOM 0 HG3 GLU A 92 -15.484 -5.516 -4.228 1.00 63.20 H new ATOM 1551 N PHE A 93 -12.717 -3.501 -3.635 1.00 52.11 N ATOM 1552 CA PHE A 93 -11.823 -3.984 -2.578 1.00 24.03 C ATOM 1553 C PHE A 93 -11.625 -2.911 -1.493 1.00 24.52 C ATOM 1554 O PHE A 93 -11.685 -3.204 -0.294 1.00 4.43 O ATOM 1555 CB PHE A 93 -10.470 -4.414 -3.161 1.00 60.25 C ATOM 1556 CG PHE A 93 -9.509 -4.926 -2.116 1.00 31.11 C ATOM 1557 CD1 PHE A 93 -9.812 -6.062 -1.378 1.00 22.54 C ATOM 1558 CD2 PHE A 93 -8.313 -4.268 -1.863 1.00 14.04 C ATOM 1559 CE1 PHE A 93 -8.945 -6.528 -0.409 1.00 62.31 C ATOM 1560 CE2 PHE A 93 -7.441 -4.733 -0.898 1.00 2.20 C ATOM 1561 CZ PHE A 93 -7.758 -5.863 -0.169 1.00 60.51 C ATOM 0 H PHE A 93 -12.253 -3.280 -4.516 1.00 52.11 H new ATOM 0 HA PHE A 93 -12.290 -4.854 -2.117 1.00 24.03 H new ATOM 0 HB2 PHE A 93 -10.634 -5.192 -3.907 1.00 60.25 H new ATOM 0 HB3 PHE A 93 -10.018 -3.567 -3.677 1.00 60.25 H new ATOM 0 HD1 PHE A 93 -10.737 -6.588 -1.564 1.00 22.54 H new ATOM 0 HD2 PHE A 93 -8.061 -3.382 -2.427 1.00 14.04 H new ATOM 0 HE1 PHE A 93 -9.195 -7.411 0.160 1.00 62.31 H new ATOM 0 HE2 PHE A 93 -6.512 -4.214 -0.713 1.00 2.20 H new ATOM 0 HZ PHE A 93 -7.078 -6.226 0.588 1.00 60.51 H new ATOM 1571 N SER A 94 -11.401 -1.666 -1.921 1.00 73.42 N ATOM 1572 CA SER A 94 -11.276 -0.532 -0.989 1.00 70.42 C ATOM 1573 C SER A 94 -12.528 -0.387 -0.116 1.00 12.33 C ATOM 1574 O SER A 94 -12.455 0.097 1.013 1.00 5.34 O ATOM 1575 CB SER A 94 -11.033 0.779 -1.753 1.00 31.11 C ATOM 1576 OG SER A 94 -9.814 0.740 -2.482 1.00 43.24 O ATOM 0 H SER A 94 -11.302 -1.413 -2.904 1.00 73.42 H new ATOM 0 HA SER A 94 -10.421 -0.737 -0.344 1.00 70.42 H new ATOM 0 HB2 SER A 94 -11.862 0.961 -2.437 1.00 31.11 H new ATOM 0 HB3 SER A 94 -11.011 1.612 -1.050 1.00 31.11 H new ATOM 0 HG SER A 94 -9.966 0.311 -3.350 1.00 43.24 H new ATOM 1582 N ARG A 95 -13.674 -0.814 -0.649 1.00 15.50 N ATOM 1583 CA ARG A 95 -14.946 -0.783 0.084 1.00 35.04 C ATOM 1584 C ARG A 95 -14.830 -1.506 1.435 1.00 74.12 C ATOM 1585 O ARG A 95 -15.113 -0.931 2.488 1.00 35.32 O ATOM 1586 CB ARG A 95 -16.052 -1.441 -0.756 1.00 44.35 C ATOM 1587 CG ARG A 95 -17.458 -1.301 -0.172 1.00 1.01 C ATOM 1588 CD ARG A 95 -17.983 0.127 -0.292 1.00 61.33 C ATOM 1589 NE ARG A 95 -18.102 0.549 -1.687 1.00 73.51 N ATOM 1590 CZ ARG A 95 -18.317 1.779 -2.067 1.00 22.34 C ATOM 1591 NH1 ARG A 95 -18.460 2.725 -1.197 1.00 4.42 N ATOM 1592 NH2 ARG A 95 -18.395 2.057 -3.326 1.00 40.31 N ATOM 0 H ARG A 95 -13.749 -1.189 -1.594 1.00 15.50 H new ATOM 0 HA ARG A 95 -15.198 0.261 0.273 1.00 35.04 H new ATOM 0 HB2 ARG A 95 -16.042 -1.004 -1.754 1.00 44.35 H new ATOM 0 HB3 ARG A 95 -15.823 -2.501 -0.870 1.00 44.35 H new ATOM 0 HG2 ARG A 95 -18.135 -1.982 -0.688 1.00 1.01 H new ATOM 0 HG3 ARG A 95 -17.447 -1.597 0.877 1.00 1.01 H new ATOM 0 HD2 ARG A 95 -18.957 0.198 0.193 1.00 61.33 H new ATOM 0 HD3 ARG A 95 -17.314 0.806 0.237 1.00 61.33 H new ATOM 0 HE ARG A 95 -18.011 -0.164 -2.410 1.00 73.51 H new ATOM 0 HH11 ARG A 95 -18.405 2.514 -0.201 1.00 4.42 H new ATOM 0 HH12 ARG A 95 -18.628 3.682 -1.507 1.00 4.42 H new ATOM 0 HH21 ARG A 95 -18.289 1.316 -4.019 1.00 40.31 H new ATOM 0 HH22 ARG A 95 -18.563 3.017 -3.627 1.00 40.31 H new ATOM 1606 N GLU A 96 -14.405 -2.771 1.396 1.00 62.14 N ATOM 1607 CA GLU A 96 -14.250 -3.577 2.615 1.00 34.33 C ATOM 1608 C GLU A 96 -13.207 -2.967 3.565 1.00 12.21 C ATOM 1609 O GLU A 96 -13.453 -2.827 4.762 1.00 62.31 O ATOM 1610 CB GLU A 96 -13.865 -5.026 2.267 1.00 65.20 C ATOM 1611 CG GLU A 96 -14.940 -5.784 1.493 1.00 74.33 C ATOM 1612 CD GLU A 96 -14.614 -7.264 1.319 1.00 63.20 C ATOM 1613 OE1 GLU A 96 -14.481 -7.972 2.342 1.00 14.12 O ATOM 1614 OE2 GLU A 96 -14.516 -7.732 0.164 1.00 3.05 O ATOM 0 H GLU A 96 -14.162 -3.261 0.535 1.00 62.14 H new ATOM 0 HA GLU A 96 -15.213 -3.582 3.127 1.00 34.33 H new ATOM 0 HB2 GLU A 96 -12.947 -5.016 1.679 1.00 65.20 H new ATOM 0 HB3 GLU A 96 -13.647 -5.565 3.189 1.00 65.20 H new ATOM 0 HG2 GLU A 96 -15.893 -5.686 2.013 1.00 74.33 H new ATOM 0 HG3 GLU A 96 -15.064 -5.327 0.511 1.00 74.33 H new ATOM 1621 N VAL A 97 -12.051 -2.587 3.020 1.00 41.53 N ATOM 1622 CA VAL A 97 -10.974 -1.980 3.817 1.00 12.51 C ATOM 1623 C VAL A 97 -11.463 -0.730 4.574 1.00 41.34 C ATOM 1624 O VAL A 97 -11.255 -0.595 5.785 1.00 0.23 O ATOM 1625 CB VAL A 97 -9.769 -1.592 2.922 1.00 40.42 C ATOM 1626 CG1 VAL A 97 -8.647 -0.972 3.753 1.00 70.32 C ATOM 1627 CG2 VAL A 97 -9.261 -2.808 2.145 1.00 14.34 C ATOM 0 H VAL A 97 -11.832 -2.687 2.029 1.00 41.53 H new ATOM 0 HA VAL A 97 -10.659 -2.730 4.543 1.00 12.51 H new ATOM 0 HB VAL A 97 -10.107 -0.844 2.205 1.00 40.42 H new ATOM 0 HG11 VAL A 97 -7.814 -0.709 3.101 1.00 70.32 H new ATOM 0 HG12 VAL A 97 -9.016 -0.075 4.250 1.00 70.32 H new ATOM 0 HG13 VAL A 97 -8.310 -1.689 4.501 1.00 70.32 H new ATOM 0 HG21 VAL A 97 -8.415 -2.515 1.523 1.00 14.34 H new ATOM 0 HG22 VAL A 97 -8.946 -3.581 2.845 1.00 14.34 H new ATOM 0 HG23 VAL A 97 -10.060 -3.195 1.512 1.00 14.34 H new ATOM 1637 N ARG A 98 -12.123 0.171 3.853 1.00 70.23 N ATOM 1638 CA ARG A 98 -12.649 1.410 4.437 1.00 64.30 C ATOM 1639 C ARG A 98 -13.765 1.106 5.450 1.00 71.31 C ATOM 1640 O ARG A 98 -13.878 1.754 6.494 1.00 65.42 O ATOM 1641 CB ARG A 98 -13.177 2.320 3.317 1.00 32.05 C ATOM 1642 CG ARG A 98 -13.222 3.799 3.680 1.00 74.41 C ATOM 1643 CD ARG A 98 -13.653 4.653 2.489 1.00 72.31 C ATOM 1644 NE ARG A 98 -13.380 6.074 2.703 1.00 65.41 N ATOM 1645 CZ ARG A 98 -13.427 6.977 1.762 1.00 15.45 C ATOM 1646 NH1 ARG A 98 -13.785 6.653 0.561 1.00 4.52 N ATOM 1647 NH2 ARG A 98 -13.118 8.209 2.024 1.00 33.12 N ATOM 0 H ARG A 98 -12.310 0.069 2.855 1.00 70.23 H new ATOM 0 HA ARG A 98 -11.844 1.919 4.967 1.00 64.30 H new ATOM 0 HB2 ARG A 98 -12.549 2.193 2.435 1.00 32.05 H new ATOM 0 HB3 ARG A 98 -14.180 1.994 3.043 1.00 32.05 H new ATOM 0 HG2 ARG A 98 -13.914 3.951 4.508 1.00 74.41 H new ATOM 0 HG3 ARG A 98 -12.239 4.121 4.023 1.00 74.41 H new ATOM 0 HD2 ARG A 98 -13.131 4.315 1.594 1.00 72.31 H new ATOM 0 HD3 ARG A 98 -14.719 4.512 2.309 1.00 72.31 H new ATOM 0 HE ARG A 98 -13.138 6.378 3.646 1.00 65.41 H new ATOM 0 HH11 ARG A 98 -14.032 5.687 0.346 1.00 4.52 H new ATOM 0 HH12 ARG A 98 -13.820 7.364 -0.170 1.00 4.52 H new ATOM 0 HH21 ARG A 98 -12.837 8.475 2.968 1.00 33.12 H new ATOM 0 HH22 ARG A 98 -13.156 8.912 1.286 1.00 33.12 H new ATOM 1661 N ARG A 99 -14.577 0.098 5.132 1.00 52.41 N ATOM 1662 CA ARG A 99 -15.665 -0.351 6.010 1.00 52.42 C ATOM 1663 C ARG A 99 -15.111 -0.832 7.364 1.00 61.55 C ATOM 1664 O ARG A 99 -15.749 -0.670 8.407 1.00 14.03 O ATOM 1665 CB ARG A 99 -16.447 -1.481 5.302 1.00 72.34 C ATOM 1666 CG ARG A 99 -17.853 -1.762 5.846 1.00 51.10 C ATOM 1667 CD ARG A 99 -17.845 -2.492 7.187 1.00 12.12 C ATOM 1668 NE ARG A 99 -19.192 -2.884 7.598 1.00 65.51 N ATOM 1669 CZ ARG A 99 -19.994 -2.136 8.306 1.00 71.15 C ATOM 1670 NH1 ARG A 99 -19.612 -0.970 8.723 1.00 65.04 N ATOM 1671 NH2 ARG A 99 -21.177 -2.565 8.603 1.00 73.14 N ATOM 0 H ARG A 99 -14.502 -0.431 4.263 1.00 52.41 H new ATOM 0 HA ARG A 99 -16.338 0.483 6.210 1.00 52.42 H new ATOM 0 HB2 ARG A 99 -16.530 -1.232 4.244 1.00 72.34 H new ATOM 0 HB3 ARG A 99 -15.862 -2.398 5.368 1.00 72.34 H new ATOM 0 HG2 ARG A 99 -18.388 -0.819 5.956 1.00 51.10 H new ATOM 0 HG3 ARG A 99 -18.404 -2.358 5.119 1.00 51.10 H new ATOM 0 HD2 ARG A 99 -17.214 -3.378 7.115 1.00 12.12 H new ATOM 0 HD3 ARG A 99 -17.405 -1.849 7.949 1.00 12.12 H new ATOM 0 HE ARG A 99 -19.528 -3.804 7.312 1.00 65.51 H new ATOM 0 HH11 ARG A 99 -18.677 -0.629 8.499 1.00 65.04 H new ATOM 0 HH12 ARG A 99 -20.246 -0.393 9.276 1.00 65.04 H new ATOM 0 HH21 ARG A 99 -21.481 -3.485 8.284 1.00 73.14 H new ATOM 0 HH22 ARG A 99 -21.806 -1.983 9.156 1.00 73.14 H new ATOM 1685 N ARG A 100 -13.914 -1.417 7.341 1.00 3.24 N ATOM 1686 CA ARG A 100 -13.276 -1.932 8.561 1.00 55.20 C ATOM 1687 C ARG A 100 -12.732 -0.808 9.463 1.00 53.32 C ATOM 1688 O ARG A 100 -12.262 -1.071 10.568 1.00 11.12 O ATOM 1689 CB ARG A 100 -12.149 -2.909 8.196 1.00 12.10 C ATOM 1690 CG ARG A 100 -12.639 -4.134 7.430 1.00 41.41 C ATOM 1691 CD ARG A 100 -11.518 -5.129 7.133 1.00 71.05 C ATOM 1692 NE ARG A 100 -12.023 -6.331 6.466 1.00 5.53 N ATOM 1693 CZ ARG A 100 -12.580 -7.335 7.091 1.00 73.40 C ATOM 1694 NH1 ARG A 100 -12.685 -7.327 8.379 1.00 70.53 N ATOM 1695 NH2 ARG A 100 -13.024 -8.350 6.423 1.00 54.35 N ATOM 0 H ARG A 100 -13.363 -1.548 6.493 1.00 3.24 H new ATOM 0 HA ARG A 100 -14.045 -2.455 9.129 1.00 55.20 H new ATOM 0 HB2 ARG A 100 -11.405 -2.387 7.595 1.00 12.10 H new ATOM 0 HB3 ARG A 100 -11.650 -3.235 9.109 1.00 12.10 H new ATOM 0 HG2 ARG A 100 -13.418 -4.632 8.008 1.00 41.41 H new ATOM 0 HG3 ARG A 100 -13.093 -3.814 6.492 1.00 41.41 H new ATOM 0 HD2 ARG A 100 -10.766 -4.653 6.504 1.00 71.05 H new ATOM 0 HD3 ARG A 100 -11.024 -5.409 8.063 1.00 71.05 H new ATOM 0 HE ARG A 100 -11.935 -6.388 5.451 1.00 5.53 H new ATOM 0 HH11 ARG A 100 -12.332 -6.534 8.915 1.00 70.53 H new ATOM 0 HH12 ARG A 100 -13.121 -8.114 8.860 1.00 70.53 H new ATOM 0 HH21 ARG A 100 -12.940 -8.368 5.407 1.00 54.35 H new ATOM 0 HH22 ARG A 100 -13.458 -9.132 6.913 1.00 54.35 H new ATOM 1709 N GLY A 101 -12.794 0.435 8.991 1.00 3.21 N ATOM 1710 CA GLY A 101 -12.364 1.573 9.804 1.00 61.31 C ATOM 1711 C GLY A 101 -10.954 2.063 9.484 1.00 35.54 C ATOM 1712 O GLY A 101 -10.360 2.817 10.261 1.00 60.31 O ATOM 0 H GLY A 101 -13.134 0.680 8.061 1.00 3.21 H new ATOM 0 HA2 GLY A 101 -13.065 2.395 9.661 1.00 61.31 H new ATOM 0 HA3 GLY A 101 -12.411 1.294 10.857 1.00 61.31 H new ATOM 1716 N PHE A 102 -10.409 1.630 8.352 1.00 1.22 N ATOM 1717 CA PHE A 102 -9.098 2.106 7.892 1.00 63.42 C ATOM 1718 C PHE A 102 -9.245 3.208 6.831 1.00 43.10 C ATOM 1719 O PHE A 102 -10.215 3.226 6.069 1.00 25.20 O ATOM 1720 CB PHE A 102 -8.270 0.944 7.323 1.00 44.45 C ATOM 1721 CG PHE A 102 -7.774 -0.026 8.370 1.00 23.52 C ATOM 1722 CD1 PHE A 102 -6.683 0.300 9.166 1.00 50.33 C ATOM 1723 CD2 PHE A 102 -8.383 -1.261 8.551 1.00 31.22 C ATOM 1724 CE1 PHE A 102 -6.210 -0.584 10.116 1.00 4.33 C ATOM 1725 CE2 PHE A 102 -7.912 -2.148 9.505 1.00 43.34 C ATOM 1726 CZ PHE A 102 -6.823 -1.807 10.288 1.00 23.12 C ATOM 0 H PHE A 102 -10.850 0.950 7.732 1.00 1.22 H new ATOM 0 HA PHE A 102 -8.580 2.525 8.754 1.00 63.42 H new ATOM 0 HB2 PHE A 102 -8.875 0.401 6.597 1.00 44.45 H new ATOM 0 HB3 PHE A 102 -7.414 1.351 6.784 1.00 44.45 H new ATOM 0 HD1 PHE A 102 -6.198 1.257 9.040 1.00 50.33 H new ATOM 0 HD2 PHE A 102 -9.232 -1.533 7.942 1.00 31.22 H new ATOM 0 HE1 PHE A 102 -5.359 -0.317 10.725 1.00 4.33 H new ATOM 0 HE2 PHE A 102 -8.394 -3.105 9.638 1.00 43.34 H new ATOM 0 HZ PHE A 102 -6.454 -2.497 11.032 1.00 23.12 H new ATOM 1736 N GLU A 103 -8.282 4.131 6.792 1.00 15.02 N ATOM 1737 CA GLU A 103 -8.270 5.199 5.782 1.00 65.32 C ATOM 1738 C GLU A 103 -7.572 4.732 4.493 1.00 74.41 C ATOM 1739 O GLU A 103 -6.347 4.601 4.437 1.00 30.42 O ATOM 1740 CB GLU A 103 -7.614 6.484 6.341 1.00 72.14 C ATOM 1741 CG GLU A 103 -6.360 6.254 7.185 1.00 24.35 C ATOM 1742 CD GLU A 103 -5.804 7.550 7.765 1.00 71.15 C ATOM 1743 OE1 GLU A 103 -6.395 8.082 8.730 1.00 31.32 O ATOM 1744 OE2 GLU A 103 -4.781 8.052 7.254 1.00 72.23 O ATOM 0 H GLU A 103 -7.500 4.163 7.446 1.00 15.02 H new ATOM 0 HA GLU A 103 -9.304 5.436 5.532 1.00 65.32 H new ATOM 0 HB2 GLU A 103 -7.357 7.136 5.506 1.00 72.14 H new ATOM 0 HB3 GLU A 103 -8.349 7.015 6.946 1.00 72.14 H new ATOM 0 HG2 GLU A 103 -6.593 5.566 7.998 1.00 24.35 H new ATOM 0 HG3 GLU A 103 -5.596 5.776 6.572 1.00 24.35 H new ATOM 1751 N VAL A 104 -8.371 4.467 3.461 1.00 22.44 N ATOM 1752 CA VAL A 104 -7.859 3.966 2.181 1.00 44.40 C ATOM 1753 C VAL A 104 -7.965 5.029 1.070 1.00 55.21 C ATOM 1754 O VAL A 104 -8.878 5.860 1.068 1.00 31.21 O ATOM 1755 CB VAL A 104 -8.615 2.681 1.747 1.00 73.21 C ATOM 1756 CG1 VAL A 104 -10.097 2.967 1.521 1.00 2.30 C ATOM 1757 CG2 VAL A 104 -7.979 2.064 0.504 1.00 0.53 C ATOM 0 H VAL A 104 -9.383 4.591 3.484 1.00 22.44 H new ATOM 0 HA VAL A 104 -6.806 3.729 2.330 1.00 44.40 H new ATOM 0 HB VAL A 104 -8.535 1.956 2.557 1.00 73.21 H new ATOM 0 HG11 VAL A 104 -10.602 2.050 1.218 1.00 2.30 H new ATOM 0 HG12 VAL A 104 -10.541 3.338 2.445 1.00 2.30 H new ATOM 0 HG13 VAL A 104 -10.207 3.718 0.739 1.00 2.30 H new ATOM 0 HG21 VAL A 104 -8.528 1.166 0.222 1.00 0.53 H new ATOM 0 HG22 VAL A 104 -8.012 2.782 -0.316 1.00 0.53 H new ATOM 0 HG23 VAL A 104 -6.942 1.804 0.717 1.00 0.53 H new ATOM 1767 N ARG A 105 -7.012 5.005 0.137 1.00 33.42 N ATOM 1768 CA ARG A 105 -6.979 5.946 -0.989 1.00 42.43 C ATOM 1769 C ARG A 105 -6.810 5.194 -2.322 1.00 15.42 C ATOM 1770 O ARG A 105 -5.927 4.347 -2.464 1.00 3.21 O ATOM 1771 CB ARG A 105 -5.834 6.955 -0.793 1.00 42.32 C ATOM 1772 CG ARG A 105 -5.919 7.736 0.516 1.00 31.42 C ATOM 1773 CD ARG A 105 -7.193 8.575 0.607 1.00 34.13 C ATOM 1774 NE ARG A 105 -7.365 9.173 1.932 1.00 22.12 N ATOM 1775 CZ ARG A 105 -8.437 9.815 2.314 1.00 32.01 C ATOM 1776 NH1 ARG A 105 -9.426 9.998 1.495 1.00 55.34 N ATOM 1777 NH2 ARG A 105 -8.512 10.281 3.518 1.00 63.32 N ATOM 0 H ARG A 105 -6.242 4.336 0.138 1.00 33.42 H new ATOM 0 HA ARG A 105 -7.926 6.485 -1.022 1.00 42.43 H new ATOM 0 HB2 ARG A 105 -4.883 6.423 -0.827 1.00 42.32 H new ATOM 0 HB3 ARG A 105 -5.835 7.658 -1.626 1.00 42.32 H new ATOM 0 HG2 ARG A 105 -5.883 7.041 1.355 1.00 31.42 H new ATOM 0 HG3 ARG A 105 -5.050 8.388 0.605 1.00 31.42 H new ATOM 0 HD2 ARG A 105 -7.162 9.364 -0.145 1.00 34.13 H new ATOM 0 HD3 ARG A 105 -8.056 7.950 0.377 1.00 34.13 H new ATOM 0 HE ARG A 105 -6.599 9.083 2.600 1.00 22.12 H new ATOM 0 HH11 ARG A 105 -9.372 9.639 0.542 1.00 55.34 H new ATOM 0 HH12 ARG A 105 -10.258 10.501 1.804 1.00 55.34 H new ATOM 0 HH21 ARG A 105 -7.736 10.147 4.166 1.00 63.32 H new ATOM 0 HH22 ARG A 105 -9.347 10.783 3.820 1.00 63.32 H new ATOM 1791 N THR A 106 -7.667 5.510 -3.293 1.00 1.34 N ATOM 1792 CA THR A 106 -7.677 4.814 -4.591 1.00 53.14 C ATOM 1793 C THR A 106 -6.906 5.587 -5.674 1.00 1.33 C ATOM 1794 O THR A 106 -7.245 6.733 -5.988 1.00 64.43 O ATOM 1795 CB THR A 106 -9.128 4.603 -5.093 1.00 15.11 C ATOM 1796 OG1 THR A 106 -9.787 5.871 -5.248 1.00 21.44 O ATOM 1797 CG2 THR A 106 -9.922 3.727 -4.126 1.00 13.02 C ATOM 0 H THR A 106 -8.368 6.246 -3.210 1.00 1.34 H new ATOM 0 HA THR A 106 -7.188 3.855 -4.423 1.00 53.14 H new ATOM 0 HB THR A 106 -9.080 4.098 -6.058 1.00 15.11 H new ATOM 0 HG1 THR A 106 -9.129 6.554 -5.494 1.00 21.44 H new ATOM 0 HG21 THR A 106 -10.936 3.596 -4.503 1.00 13.02 H new ATOM 0 HG22 THR A 106 -9.439 2.754 -4.036 1.00 13.02 H new ATOM 0 HG23 THR A 106 -9.958 4.206 -3.147 1.00 13.02 H new ATOM 1805 N VAL A 107 -5.881 4.957 -6.255 1.00 31.12 N ATOM 1806 CA VAL A 107 -5.128 5.558 -7.372 1.00 44.22 C ATOM 1807 C VAL A 107 -5.170 4.657 -8.620 1.00 52.05 C ATOM 1808 O VAL A 107 -5.010 3.439 -8.530 1.00 54.23 O ATOM 1809 CB VAL A 107 -3.650 5.847 -6.988 1.00 63.12 C ATOM 1810 CG1 VAL A 107 -3.575 6.883 -5.869 1.00 23.14 C ATOM 1811 CG2 VAL A 107 -2.922 4.563 -6.586 1.00 42.34 C ATOM 0 H VAL A 107 -5.550 4.034 -5.975 1.00 31.12 H new ATOM 0 HA VAL A 107 -5.614 6.507 -7.600 1.00 44.22 H new ATOM 0 HB VAL A 107 -3.150 6.254 -7.867 1.00 63.12 H new ATOM 0 HG11 VAL A 107 -2.531 7.070 -5.616 1.00 23.14 H new ATOM 0 HG12 VAL A 107 -4.040 7.811 -6.201 1.00 23.14 H new ATOM 0 HG13 VAL A 107 -4.100 6.508 -4.990 1.00 23.14 H new ATOM 0 HG21 VAL A 107 -1.890 4.797 -6.323 1.00 42.34 H new ATOM 0 HG22 VAL A 107 -3.423 4.114 -5.728 1.00 42.34 H new ATOM 0 HG23 VAL A 107 -2.934 3.862 -7.420 1.00 42.34 H new ATOM 1821 N THR A 108 -5.399 5.263 -9.786 1.00 65.44 N ATOM 1822 CA THR A 108 -5.524 4.507 -11.046 1.00 1.31 C ATOM 1823 C THR A 108 -4.253 4.569 -11.908 1.00 33.51 C ATOM 1824 O THR A 108 -4.134 3.849 -12.899 1.00 52.02 O ATOM 1825 CB THR A 108 -6.719 5.017 -11.891 1.00 53.51 C ATOM 1826 OG1 THR A 108 -6.588 6.427 -12.132 1.00 30.01 O ATOM 1827 CG2 THR A 108 -8.049 4.743 -11.191 1.00 53.04 C ATOM 0 H THR A 108 -5.502 6.272 -9.890 1.00 65.44 H new ATOM 0 HA THR A 108 -5.689 3.471 -10.750 1.00 1.31 H new ATOM 0 HB THR A 108 -6.710 4.480 -12.839 1.00 53.51 H new ATOM 0 HG1 THR A 108 -7.347 6.739 -12.668 1.00 30.01 H new ATOM 0 HG21 THR A 108 -8.868 5.112 -11.808 1.00 53.04 H new ATOM 0 HG22 THR A 108 -8.165 3.670 -11.038 1.00 53.04 H new ATOM 0 HG23 THR A 108 -8.064 5.251 -10.227 1.00 53.04 H new ATOM 1835 N SER A 109 -3.305 5.429 -11.535 1.00 41.11 N ATOM 1836 CA SER A 109 -2.054 5.577 -12.299 1.00 42.12 C ATOM 1837 C SER A 109 -0.897 6.037 -11.402 1.00 25.01 C ATOM 1838 O SER A 109 -1.119 6.681 -10.376 1.00 20.44 O ATOM 1839 CB SER A 109 -2.237 6.593 -13.437 1.00 64.33 C ATOM 1840 OG SER A 109 -2.370 7.917 -12.935 1.00 3.04 O ATOM 0 H SER A 109 -3.373 6.032 -10.715 1.00 41.11 H new ATOM 0 HA SER A 109 -1.810 4.598 -12.711 1.00 42.12 H new ATOM 0 HB2 SER A 109 -1.383 6.543 -14.112 1.00 64.33 H new ATOM 0 HB3 SER A 109 -3.120 6.333 -14.020 1.00 64.33 H new ATOM 0 HG SER A 109 -2.483 8.540 -13.683 1.00 3.04 H new ATOM 1846 N PRO A 110 0.363 5.725 -11.779 1.00 60.13 N ATOM 1847 CA PRO A 110 1.551 6.222 -11.054 1.00 1.42 C ATOM 1848 C PRO A 110 1.667 7.758 -11.107 1.00 31.11 C ATOM 1849 O PRO A 110 2.356 8.375 -10.291 1.00 2.15 O ATOM 1850 CB PRO A 110 2.728 5.554 -11.788 1.00 31.01 C ATOM 1851 CG PRO A 110 2.186 5.187 -13.130 1.00 31.24 C ATOM 1852 CD PRO A 110 0.735 4.855 -12.914 1.00 20.33 C ATOM 0 HA PRO A 110 1.513 5.982 -9.991 1.00 1.42 H new ATOM 0 HB2 PRO A 110 3.575 6.234 -11.877 1.00 31.01 H new ATOM 0 HB3 PRO A 110 3.081 4.674 -11.250 1.00 31.01 H new ATOM 0 HG2 PRO A 110 2.297 6.011 -13.834 1.00 31.24 H new ATOM 0 HG3 PRO A 110 2.723 4.336 -13.548 1.00 31.24 H new ATOM 0 HD2 PRO A 110 0.136 5.068 -13.799 1.00 20.33 H new ATOM 0 HD3 PRO A 110 0.593 3.800 -12.678 1.00 20.33 H new ATOM 1860 N ASP A 111 0.984 8.366 -12.077 1.00 53.32 N ATOM 1861 CA ASP A 111 0.935 9.824 -12.203 1.00 51.14 C ATOM 1862 C ASP A 111 0.010 10.431 -11.141 1.00 10.25 C ATOM 1863 O ASP A 111 0.405 11.336 -10.403 1.00 54.43 O ATOM 1864 CB ASP A 111 0.465 10.211 -13.609 1.00 14.24 C ATOM 1865 CG ASP A 111 1.324 9.574 -14.686 1.00 4.40 C ATOM 1866 OD1 ASP A 111 2.485 10.000 -14.855 1.00 73.24 O ATOM 1867 OD2 ASP A 111 0.851 8.638 -15.357 1.00 55.41 O ATOM 0 H ASP A 111 0.453 7.868 -12.792 1.00 53.32 H new ATOM 0 HA ASP A 111 1.937 10.221 -12.044 1.00 51.14 H new ATOM 0 HB2 ASP A 111 -0.572 9.904 -13.743 1.00 14.24 H new ATOM 0 HB3 ASP A 111 0.493 11.295 -13.716 1.00 14.24 H new ATOM 1872 N ASP A 112 -1.217 9.916 -11.059 1.00 11.21 N ATOM 1873 CA ASP A 112 -2.167 10.343 -10.028 1.00 32.12 C ATOM 1874 C ASP A 112 -1.636 9.987 -8.631 1.00 12.34 C ATOM 1875 O ASP A 112 -1.780 10.756 -7.678 1.00 53.14 O ATOM 1876 CB ASP A 112 -3.530 9.680 -10.263 1.00 72.33 C ATOM 1877 CG ASP A 112 -4.596 10.180 -9.301 1.00 34.13 C ATOM 1878 OD1 ASP A 112 -5.209 11.233 -9.584 1.00 51.54 O ATOM 1879 OD2 ASP A 112 -4.822 9.534 -8.257 1.00 30.41 O ATOM 0 H ASP A 112 -1.578 9.203 -11.693 1.00 11.21 H new ATOM 0 HA ASP A 112 -2.286 11.425 -10.088 1.00 32.12 H new ATOM 0 HB2 ASP A 112 -3.851 9.871 -11.287 1.00 72.33 H new ATOM 0 HB3 ASP A 112 -3.428 8.600 -10.157 1.00 72.33 H new ATOM 1884 N PHE A 113 -1.016 8.813 -8.532 1.00 61.32 N ATOM 1885 CA PHE A 113 -0.390 8.357 -7.290 1.00 25.53 C ATOM 1886 C PHE A 113 0.597 9.394 -6.738 1.00 22.41 C ATOM 1887 O PHE A 113 0.604 9.672 -5.545 1.00 0.25 O ATOM 1888 CB PHE A 113 0.333 7.020 -7.522 1.00 14.52 C ATOM 1889 CG PHE A 113 1.160 6.559 -6.345 1.00 61.10 C ATOM 1890 CD1 PHE A 113 0.562 5.945 -5.254 1.00 14.31 C ATOM 1891 CD2 PHE A 113 2.537 6.745 -6.332 1.00 53.41 C ATOM 1892 CE1 PHE A 113 1.319 5.528 -4.176 1.00 60.05 C ATOM 1893 CE2 PHE A 113 3.297 6.330 -5.259 1.00 75.31 C ATOM 1894 CZ PHE A 113 2.689 5.722 -4.179 1.00 50.53 C ATOM 0 H PHE A 113 -0.933 8.153 -9.305 1.00 61.32 H new ATOM 0 HA PHE A 113 -1.181 8.221 -6.552 1.00 25.53 H new ATOM 0 HB2 PHE A 113 -0.406 6.254 -7.756 1.00 14.52 H new ATOM 0 HB3 PHE A 113 0.981 7.115 -8.394 1.00 14.52 H new ATOM 0 HD1 PHE A 113 -0.507 5.791 -5.247 1.00 14.31 H new ATOM 0 HD2 PHE A 113 3.018 7.221 -7.174 1.00 53.41 H new ATOM 0 HE1 PHE A 113 0.842 5.051 -3.332 1.00 60.05 H new ATOM 0 HE2 PHE A 113 4.366 6.480 -5.263 1.00 75.31 H new ATOM 0 HZ PHE A 113 3.282 5.398 -3.337 1.00 50.53 H new ATOM 1904 N LYS A 114 1.422 9.966 -7.614 1.00 4.34 N ATOM 1905 CA LYS A 114 2.435 10.945 -7.198 1.00 73.14 C ATOM 1906 C LYS A 114 1.786 12.210 -6.597 1.00 42.41 C ATOM 1907 O LYS A 114 2.341 12.845 -5.700 1.00 73.41 O ATOM 1908 CB LYS A 114 3.330 11.306 -8.392 1.00 11.12 C ATOM 1909 CG LYS A 114 4.641 11.985 -8.002 1.00 31.03 C ATOM 1910 CD LYS A 114 5.554 12.186 -9.208 1.00 72.01 C ATOM 1911 CE LYS A 114 6.952 12.637 -8.797 1.00 2.43 C ATOM 1912 NZ LYS A 114 6.932 13.918 -8.041 1.00 52.23 N ATOM 0 H LYS A 114 1.412 9.771 -8.615 1.00 4.34 H new ATOM 0 HA LYS A 114 3.048 10.494 -6.417 1.00 73.14 H new ATOM 0 HB2 LYS A 114 3.555 10.398 -8.952 1.00 11.12 H new ATOM 0 HB3 LYS A 114 2.777 11.964 -9.062 1.00 11.12 H new ATOM 0 HG2 LYS A 114 4.428 12.950 -7.542 1.00 31.03 H new ATOM 0 HG3 LYS A 114 5.155 11.382 -7.254 1.00 31.03 H new ATOM 0 HD2 LYS A 114 5.624 11.254 -9.769 1.00 72.01 H new ATOM 0 HD3 LYS A 114 5.115 12.928 -9.875 1.00 72.01 H new ATOM 0 HE2 LYS A 114 7.416 11.863 -8.185 1.00 2.43 H new ATOM 0 HE3 LYS A 114 7.571 12.752 -9.687 1.00 2.43 H new ATOM 0 HZ1 LYS A 114 7.907 14.245 -7.886 1.00 52.23 H new ATOM 0 HZ2 LYS A 114 6.409 14.634 -8.585 1.00 52.23 H new ATOM 0 HZ3 LYS A 114 6.466 13.772 -7.123 1.00 52.23 H new ATOM 1926 N LYS A 115 0.602 12.564 -7.093 1.00 33.52 N ATOM 1927 CA LYS A 115 -0.170 13.685 -6.537 1.00 34.31 C ATOM 1928 C LYS A 115 -0.825 13.300 -5.205 1.00 5.44 C ATOM 1929 O LYS A 115 -0.681 14.002 -4.201 1.00 70.15 O ATOM 1930 CB LYS A 115 -1.242 14.140 -7.541 1.00 24.10 C ATOM 1931 CG LYS A 115 -0.701 15.039 -8.645 1.00 33.11 C ATOM 1932 CD LYS A 115 -0.286 16.400 -8.093 1.00 31.04 C ATOM 1933 CE LYS A 115 0.381 17.268 -9.151 1.00 11.20 C ATOM 1934 NZ LYS A 115 1.668 16.689 -9.611 1.00 71.45 N ATOM 0 H LYS A 115 0.152 12.094 -7.879 1.00 33.52 H new ATOM 0 HA LYS A 115 0.518 14.509 -6.350 1.00 34.31 H new ATOM 0 HB2 LYS A 115 -1.702 13.261 -7.992 1.00 24.10 H new ATOM 0 HB3 LYS A 115 -2.028 14.671 -7.004 1.00 24.10 H new ATOM 0 HG2 LYS A 115 0.155 14.560 -9.121 1.00 33.11 H new ATOM 0 HG3 LYS A 115 -1.461 15.172 -9.415 1.00 33.11 H new ATOM 0 HD2 LYS A 115 -1.164 16.915 -7.703 1.00 31.04 H new ATOM 0 HD3 LYS A 115 0.399 16.258 -7.257 1.00 31.04 H new ATOM 0 HE2 LYS A 115 -0.290 17.383 -10.002 1.00 11.20 H new ATOM 0 HE3 LYS A 115 0.556 18.265 -8.746 1.00 11.20 H new ATOM 0 HZ1 LYS A 115 2.209 17.412 -10.128 1.00 71.45 H new ATOM 0 HZ2 LYS A 115 2.218 16.368 -8.789 1.00 71.45 H new ATOM 0 HZ3 LYS A 115 1.481 15.882 -10.239 1.00 71.45 H new ATOM 1948 N SER A 116 -1.543 12.181 -5.207 1.00 32.10 N ATOM 1949 CA SER A 116 -2.189 11.661 -3.997 1.00 20.21 C ATOM 1950 C SER A 116 -1.161 11.415 -2.880 1.00 24.12 C ATOM 1951 O SER A 116 -1.437 11.642 -1.705 1.00 54.02 O ATOM 1952 CB SER A 116 -2.934 10.353 -4.314 1.00 22.23 C ATOM 1953 OG SER A 116 -3.900 10.544 -5.342 1.00 53.20 O ATOM 0 H SER A 116 -1.695 11.610 -6.038 1.00 32.10 H new ATOM 0 HA SER A 116 -2.902 12.409 -3.650 1.00 20.21 H new ATOM 0 HB2 SER A 116 -2.219 9.590 -4.621 1.00 22.23 H new ATOM 0 HB3 SER A 116 -3.426 9.985 -3.414 1.00 22.23 H new ATOM 0 HG SER A 116 -3.445 10.641 -6.205 1.00 53.20 H new ATOM 1959 N LEU A 117 0.031 10.969 -3.267 1.00 24.30 N ATOM 1960 CA LEU A 117 1.109 10.675 -2.315 1.00 25.11 C ATOM 1961 C LEU A 117 1.556 11.944 -1.570 1.00 41.41 C ATOM 1962 O LEU A 117 1.649 11.952 -0.343 1.00 31.43 O ATOM 1963 CB LEU A 117 2.299 10.042 -3.053 1.00 34.11 C ATOM 1964 CG LEU A 117 3.389 9.436 -2.156 1.00 52.43 C ATOM 1965 CD1 LEU A 117 2.825 8.278 -1.335 1.00 34.52 C ATOM 1966 CD2 LEU A 117 4.580 8.976 -2.994 1.00 41.22 C ATOM 0 H LEU A 117 0.280 10.801 -4.242 1.00 24.30 H new ATOM 0 HA LEU A 117 0.729 9.970 -1.575 1.00 25.11 H new ATOM 0 HB2 LEU A 117 1.921 9.261 -3.713 1.00 34.11 H new ATOM 0 HB3 LEU A 117 2.756 10.802 -3.687 1.00 34.11 H new ATOM 0 HG LEU A 117 3.735 10.206 -1.467 1.00 52.43 H new ATOM 0 HD11 LEU A 117 3.611 7.861 -0.706 1.00 34.52 H new ATOM 0 HD12 LEU A 117 2.011 8.640 -0.707 1.00 34.52 H new ATOM 0 HD13 LEU A 117 2.449 7.505 -2.006 1.00 34.52 H new ATOM 0 HD21 LEU A 117 5.341 8.550 -2.341 1.00 41.22 H new ATOM 0 HD22 LEU A 117 4.252 8.222 -3.709 1.00 41.22 H new ATOM 0 HD23 LEU A 117 4.998 9.828 -3.531 1.00 41.22 H new ATOM 1978 N GLU A 118 1.829 13.016 -2.318 1.00 44.03 N ATOM 1979 CA GLU A 118 2.143 14.321 -1.717 1.00 32.03 C ATOM 1980 C GLU A 118 1.026 14.771 -0.758 1.00 51.53 C ATOM 1981 O GLU A 118 1.287 15.151 0.383 1.00 52.54 O ATOM 1982 CB GLU A 118 2.347 15.383 -2.810 1.00 24.30 C ATOM 1983 CG GLU A 118 3.613 15.196 -3.646 1.00 51.21 C ATOM 1984 CD GLU A 118 4.895 15.404 -2.846 1.00 22.14 C ATOM 1985 OE1 GLU A 118 5.111 16.524 -2.334 1.00 23.20 O ATOM 1986 OE2 GLU A 118 5.694 14.454 -2.725 1.00 50.14 O ATOM 0 H GLU A 118 1.840 13.010 -3.338 1.00 44.03 H new ATOM 0 HA GLU A 118 3.066 14.211 -1.148 1.00 32.03 H new ATOM 0 HB2 GLU A 118 1.483 15.373 -3.475 1.00 24.30 H new ATOM 0 HB3 GLU A 118 2.378 16.367 -2.342 1.00 24.30 H new ATOM 0 HG2 GLU A 118 3.616 14.192 -4.071 1.00 51.21 H new ATOM 0 HG3 GLU A 118 3.596 15.896 -4.482 1.00 51.21 H new ATOM 1993 N ARG A 119 -0.220 14.703 -1.233 1.00 41.43 N ATOM 1994 CA ARG A 119 -1.397 15.073 -0.428 1.00 2.51 C ATOM 1995 C ARG A 119 -1.416 14.361 0.937 1.00 1.32 C ATOM 1996 O ARG A 119 -1.810 14.940 1.949 1.00 61.15 O ATOM 1997 CB ARG A 119 -2.681 14.727 -1.200 1.00 3.21 C ATOM 1998 CG ARG A 119 -2.937 15.608 -2.420 1.00 32.22 C ATOM 1999 CD ARG A 119 -4.025 15.024 -3.322 1.00 12.41 C ATOM 2000 NE ARG A 119 -5.257 14.707 -2.592 1.00 52.54 N ATOM 2001 CZ ARG A 119 -6.286 14.090 -3.121 1.00 11.04 C ATOM 2002 NH1 ARG A 119 -6.289 13.758 -4.373 1.00 42.14 N ATOM 2003 NH2 ARG A 119 -7.324 13.815 -2.395 1.00 33.25 N ATOM 0 H ARG A 119 -0.445 14.393 -2.178 1.00 41.43 H new ATOM 0 HA ARG A 119 -1.342 16.146 -0.243 1.00 2.51 H new ATOM 0 HB2 ARG A 119 -2.628 13.687 -1.522 1.00 3.21 H new ATOM 0 HB3 ARG A 119 -3.531 14.808 -0.523 1.00 3.21 H new ATOM 0 HG2 ARG A 119 -3.232 16.605 -2.093 1.00 32.22 H new ATOM 0 HG3 ARG A 119 -2.014 15.719 -2.989 1.00 32.22 H new ATOM 0 HD2 ARG A 119 -4.252 15.734 -4.117 1.00 12.41 H new ATOM 0 HD3 ARG A 119 -3.648 14.120 -3.800 1.00 12.41 H new ATOM 0 HE ARG A 119 -5.317 14.984 -1.612 1.00 52.54 H new ATOM 0 HH11 ARG A 119 -5.484 13.976 -4.960 1.00 42.14 H new ATOM 0 HH12 ARG A 119 -7.096 13.278 -4.771 1.00 42.14 H new ATOM 0 HH21 ARG A 119 -7.342 14.079 -1.410 1.00 33.25 H new ATOM 0 HH22 ARG A 119 -8.123 13.335 -2.809 1.00 33.25 H new ATOM 2017 N LEU A 120 -1.008 13.100 0.948 1.00 21.30 N ATOM 2018 CA LEU A 120 -1.027 12.287 2.165 1.00 63.15 C ATOM 2019 C LEU A 120 0.236 12.485 3.029 1.00 23.03 C ATOM 2020 O LEU A 120 0.142 12.857 4.201 1.00 13.15 O ATOM 2021 CB LEU A 120 -1.193 10.811 1.784 1.00 3.34 C ATOM 2022 CG LEU A 120 -2.467 10.493 0.980 1.00 50.34 C ATOM 2023 CD1 LEU A 120 -2.524 9.013 0.621 1.00 33.14 C ATOM 2024 CD2 LEU A 120 -3.717 10.919 1.753 1.00 32.13 C ATOM 0 H LEU A 120 -0.657 12.611 0.124 1.00 21.30 H new ATOM 0 HA LEU A 120 -1.872 12.613 2.772 1.00 63.15 H new ATOM 0 HB2 LEU A 120 -0.325 10.500 1.202 1.00 3.34 H new ATOM 0 HB3 LEU A 120 -1.196 10.213 2.695 1.00 3.34 H new ATOM 0 HG LEU A 120 -2.436 11.063 0.052 1.00 50.34 H new ATOM 0 HD11 LEU A 120 -3.432 8.811 0.053 1.00 33.14 H new ATOM 0 HD12 LEU A 120 -1.654 8.751 0.019 1.00 33.14 H new ATOM 0 HD13 LEU A 120 -2.527 8.417 1.534 1.00 33.14 H new ATOM 0 HD21 LEU A 120 -4.605 10.685 1.166 1.00 32.13 H new ATOM 0 HD22 LEU A 120 -3.758 10.384 2.702 1.00 32.13 H new ATOM 0 HD23 LEU A 120 -3.680 11.992 1.942 1.00 32.13 H new ATOM 2036 N ILE A 121 1.414 12.243 2.446 1.00 61.24 N ATOM 2037 CA ILE A 121 2.683 12.296 3.195 1.00 32.22 C ATOM 2038 C ILE A 121 2.928 13.662 3.860 1.00 72.53 C ATOM 2039 O ILE A 121 3.357 13.728 5.011 1.00 42.35 O ATOM 2040 CB ILE A 121 3.901 11.945 2.294 1.00 53.15 C ATOM 2041 CG1 ILE A 121 3.812 10.485 1.814 1.00 13.53 C ATOM 2042 CG2 ILE A 121 5.223 12.192 3.033 1.00 33.15 C ATOM 2043 CD1 ILE A 121 5.009 10.031 1.001 1.00 44.53 C ATOM 0 H ILE A 121 1.520 12.008 1.459 1.00 61.24 H new ATOM 0 HA ILE A 121 2.585 11.546 3.980 1.00 32.22 H new ATOM 0 HB ILE A 121 3.877 12.599 1.422 1.00 53.15 H new ATOM 0 HG12 ILE A 121 3.706 9.834 2.681 1.00 13.53 H new ATOM 0 HG13 ILE A 121 2.910 10.365 1.213 1.00 13.53 H new ATOM 0 HG21 ILE A 121 6.058 11.938 2.380 1.00 33.15 H new ATOM 0 HG22 ILE A 121 5.290 13.242 3.317 1.00 33.15 H new ATOM 0 HG23 ILE A 121 5.261 11.571 3.928 1.00 33.15 H new ATOM 0 HD11 ILE A 121 4.872 8.992 0.700 1.00 44.53 H new ATOM 0 HD12 ILE A 121 5.104 10.657 0.114 1.00 44.53 H new ATOM 0 HD13 ILE A 121 5.913 10.117 1.605 1.00 44.53 H new ATOM 2055 N ARG A 122 2.652 14.750 3.143 1.00 22.24 N ATOM 2056 CA ARG A 122 2.923 16.097 3.668 1.00 5.33 C ATOM 2057 C ARG A 122 1.974 16.457 4.827 1.00 52.23 C ATOM 2058 O ARG A 122 2.243 17.375 5.608 1.00 74.55 O ATOM 2059 CB ARG A 122 2.818 17.141 2.543 1.00 61.01 C ATOM 2060 CG ARG A 122 3.609 16.774 1.285 1.00 14.20 C ATOM 2061 CD ARG A 122 5.079 16.485 1.579 1.00 42.12 C ATOM 2062 NE ARG A 122 5.762 15.925 0.413 1.00 20.51 N ATOM 2063 CZ ARG A 122 6.978 15.449 0.426 1.00 52.25 C ATOM 2064 NH1 ARG A 122 7.691 15.474 1.507 1.00 21.32 N ATOM 2065 NH2 ARG A 122 7.479 14.940 -0.651 1.00 12.44 N ATOM 0 H ARG A 122 2.246 14.732 2.208 1.00 22.24 H new ATOM 0 HA ARG A 122 3.940 16.101 4.061 1.00 5.33 H new ATOM 0 HB2 ARG A 122 1.769 17.270 2.277 1.00 61.01 H new ATOM 0 HB3 ARG A 122 3.173 18.101 2.917 1.00 61.01 H new ATOM 0 HG2 ARG A 122 3.157 15.899 0.818 1.00 14.20 H new ATOM 0 HG3 ARG A 122 3.540 17.590 0.566 1.00 14.20 H new ATOM 0 HD2 ARG A 122 5.577 17.405 1.886 1.00 42.12 H new ATOM 0 HD3 ARG A 122 5.153 15.788 2.414 1.00 42.12 H new ATOM 0 HE ARG A 122 5.254 15.905 -0.471 1.00 20.51 H new ATOM 0 HH11 ARG A 122 7.304 15.869 2.364 1.00 21.32 H new ATOM 0 HH12 ARG A 122 8.639 15.098 1.501 1.00 21.32 H new ATOM 0 HH21 ARG A 122 6.925 14.911 -1.507 1.00 12.44 H new ATOM 0 HH22 ARG A 122 8.428 14.567 -0.645 1.00 12.44 H new ATOM 2079 N GLU A 123 0.859 15.733 4.921 1.00 20.52 N ATOM 2080 CA GLU A 123 -0.104 15.904 6.015 1.00 11.33 C ATOM 2081 C GLU A 123 0.266 15.046 7.239 1.00 1.14 C ATOM 2082 O GLU A 123 0.426 15.562 8.347 1.00 31.31 O ATOM 2083 CB GLU A 123 -1.516 15.546 5.528 1.00 22.25 C ATOM 2084 CG GLU A 123 -2.121 16.576 4.576 1.00 63.34 C ATOM 2085 CD GLU A 123 -2.588 17.835 5.290 1.00 53.12 C ATOM 2086 OE1 GLU A 123 -3.737 17.845 5.781 1.00 12.03 O ATOM 2087 OE2 GLU A 123 -1.819 18.814 5.372 1.00 11.22 O ATOM 0 H GLU A 123 0.596 15.015 4.246 1.00 20.52 H new ATOM 0 HA GLU A 123 -0.078 16.949 6.324 1.00 11.33 H new ATOM 0 HB2 GLU A 123 -1.483 14.578 5.027 1.00 22.25 H new ATOM 0 HB3 GLU A 123 -2.171 15.436 6.392 1.00 22.25 H new ATOM 0 HG2 GLU A 123 -1.382 16.845 3.821 1.00 63.34 H new ATOM 0 HG3 GLU A 123 -2.964 16.127 4.051 1.00 63.34 H new ATOM 2094 N VAL A 124 0.398 13.734 7.034 1.00 22.31 N ATOM 2095 CA VAL A 124 0.706 12.807 8.133 1.00 3.12 C ATOM 2096 C VAL A 124 2.155 12.968 8.634 1.00 72.50 C ATOM 2097 O VAL A 124 2.415 12.934 9.839 1.00 52.21 O ATOM 2098 CB VAL A 124 0.455 11.331 7.713 1.00 42.43 C ATOM 2099 CG1 VAL A 124 1.331 10.929 6.526 1.00 44.42 C ATOM 2100 CG2 VAL A 124 0.670 10.384 8.895 1.00 44.42 C ATOM 0 H VAL A 124 0.298 13.288 6.122 1.00 22.31 H new ATOM 0 HA VAL A 124 0.033 13.060 8.952 1.00 3.12 H new ATOM 0 HB VAL A 124 -0.585 11.251 7.396 1.00 42.43 H new ATOM 0 HG11 VAL A 124 1.129 9.891 6.260 1.00 44.42 H new ATOM 0 HG12 VAL A 124 1.108 11.572 5.675 1.00 44.42 H new ATOM 0 HG13 VAL A 124 2.382 11.036 6.796 1.00 44.42 H new ATOM 0 HG21 VAL A 124 0.489 9.357 8.576 1.00 44.42 H new ATOM 0 HG22 VAL A 124 1.695 10.477 9.254 1.00 44.42 H new ATOM 0 HG23 VAL A 124 -0.020 10.642 9.698 1.00 44.42 H new ATOM 2110 N GLY A 125 3.091 13.156 7.707 1.00 43.24 N ATOM 2111 CA GLY A 125 4.491 13.339 8.073 1.00 43.11 C ATOM 2112 C GLY A 125 4.848 14.803 8.310 1.00 42.33 C ATOM 2113 O GLY A 125 5.820 15.318 7.748 1.00 53.41 O ATOM 0 H GLY A 125 2.907 13.185 6.704 1.00 43.24 H new ATOM 0 HA2 GLY A 125 4.705 12.766 8.975 1.00 43.11 H new ATOM 0 HA3 GLY A 125 5.125 12.937 7.282 1.00 43.11 H new ATOM 2117 N SER A 126 4.067 15.478 9.150 1.00 34.32 N ATOM 2118 CA SER A 126 4.276 16.906 9.416 1.00 73.22 C ATOM 2119 C SER A 126 5.472 17.141 10.352 1.00 32.33 C ATOM 2120 O SER A 126 5.314 17.247 11.572 1.00 41.24 O ATOM 2121 CB SER A 126 3.007 17.548 10.006 1.00 12.52 C ATOM 2122 OG SER A 126 2.640 16.948 11.242 1.00 42.54 O ATOM 0 H SER A 126 3.285 15.064 9.658 1.00 34.32 H new ATOM 0 HA SER A 126 4.498 17.381 8.460 1.00 73.22 H new ATOM 0 HB2 SER A 126 3.174 18.615 10.155 1.00 12.52 H new ATOM 0 HB3 SER A 126 2.186 17.450 9.296 1.00 12.52 H new ATOM 0 HG SER A 126 3.440 16.820 11.794 1.00 42.54 H new ATOM 2128 N LEU A 127 6.674 17.175 9.777 1.00 32.40 N ATOM 2129 CA LEU A 127 7.884 17.555 10.523 1.00 63.13 C ATOM 2130 C LEU A 127 7.991 19.086 10.649 1.00 64.45 C ATOM 2131 O LEU A 127 8.696 19.606 11.511 1.00 60.53 O ATOM 2132 CB LEU A 127 9.143 16.949 9.863 1.00 61.12 C ATOM 2133 CG LEU A 127 9.234 17.050 8.321 1.00 31.02 C ATOM 2134 CD1 LEU A 127 9.515 18.478 7.863 1.00 32.12 C ATOM 2135 CD2 LEU A 127 10.298 16.095 7.782 1.00 53.22 C ATOM 0 H LEU A 127 6.841 16.945 8.797 1.00 32.40 H new ATOM 0 HA LEU A 127 7.811 17.148 11.532 1.00 63.13 H new ATOM 0 HB2 LEU A 127 10.019 17.438 10.289 1.00 61.12 H new ATOM 0 HB3 LEU A 127 9.199 15.896 10.139 1.00 61.12 H new ATOM 0 HG LEU A 127 8.264 16.760 7.916 1.00 31.02 H new ATOM 0 HD11 LEU A 127 9.571 18.507 6.775 1.00 32.12 H new ATOM 0 HD12 LEU A 127 8.713 19.133 8.202 1.00 32.12 H new ATOM 0 HD13 LEU A 127 10.462 18.816 8.284 1.00 32.12 H new ATOM 0 HD21 LEU A 127 10.347 16.180 6.696 1.00 53.22 H new ATOM 0 HD22 LEU A 127 11.267 16.351 8.210 1.00 53.22 H new ATOM 0 HD23 LEU A 127 10.040 15.072 8.054 1.00 53.22 H new ATOM 2147 N GLU A 128 7.271 19.786 9.775 1.00 52.02 N ATOM 2148 CA GLU A 128 7.154 21.250 9.814 1.00 4.40 C ATOM 2149 C GLU A 128 5.673 21.663 9.811 1.00 55.10 C ATOM 2150 O GLU A 128 4.782 20.811 9.767 1.00 50.04 O ATOM 2151 CB GLU A 128 7.873 21.881 8.605 1.00 53.32 C ATOM 2152 CG GLU A 128 9.396 21.927 8.725 1.00 34.00 C ATOM 2153 CD GLU A 128 9.872 22.953 9.746 1.00 61.52 C ATOM 2154 OE1 GLU A 128 9.958 24.152 9.397 1.00 54.12 O ATOM 2155 OE2 GLU A 128 10.148 22.575 10.902 1.00 11.11 O ATOM 0 H GLU A 128 6.747 19.355 9.013 1.00 52.02 H new ATOM 0 HA GLU A 128 7.624 21.609 10.730 1.00 4.40 H new ATOM 0 HB2 GLU A 128 7.609 21.320 7.708 1.00 53.32 H new ATOM 0 HB3 GLU A 128 7.501 22.896 8.467 1.00 53.32 H new ATOM 0 HG2 GLU A 128 9.765 20.941 9.007 1.00 34.00 H new ATOM 0 HG3 GLU A 128 9.827 22.162 7.752 1.00 34.00 H new ATOM 2162 N HIS A 129 5.410 22.965 9.856 1.00 23.54 N ATOM 2163 CA HIS A 129 4.036 23.478 9.792 1.00 43.43 C ATOM 2164 C HIS A 129 3.531 23.537 8.339 1.00 10.33 C ATOM 2165 O HIS A 129 4.280 23.882 7.424 1.00 2.52 O ATOM 2166 CB HIS A 129 3.954 24.871 10.438 1.00 33.44 C ATOM 2167 CG HIS A 129 4.200 24.866 11.920 1.00 45.25 C ATOM 2168 ND1 HIS A 129 3.237 25.213 12.844 1.00 23.44 N ATOM 2169 CD2 HIS A 129 5.309 24.560 12.639 1.00 22.42 C ATOM 2170 CE1 HIS A 129 3.738 25.122 14.058 1.00 55.24 C ATOM 2171 NE2 HIS A 129 4.991 24.728 13.963 1.00 65.43 N ATOM 0 H HIS A 129 6.126 23.687 9.936 1.00 23.54 H new ATOM 0 HA HIS A 129 3.396 22.792 10.346 1.00 43.43 H new ATOM 0 HB2 HIS A 129 4.682 25.527 9.960 1.00 33.44 H new ATOM 0 HB3 HIS A 129 2.968 25.294 10.244 1.00 33.44 H new ATOM 0 HD2 HIS A 129 6.263 24.244 12.243 1.00 22.42 H new ATOM 0 HE1 HIS A 129 3.211 25.334 14.976 1.00 55.24 H new ATOM 0 HE2 HIS A 129 5.624 24.573 14.748 1.00 65.43 H new ATOM 2180 N HIS A 130 2.263 23.184 8.135 1.00 55.24 N ATOM 2181 CA HIS A 130 1.644 23.234 6.801 1.00 5.40 C ATOM 2182 C HIS A 130 0.262 23.903 6.859 1.00 44.11 C ATOM 2183 O HIS A 130 -0.230 24.232 7.940 1.00 15.02 O ATOM 2184 CB HIS A 130 1.531 21.816 6.201 1.00 31.01 C ATOM 2185 CG HIS A 130 0.755 20.831 7.038 1.00 43.34 C ATOM 2186 ND1 HIS A 130 1.054 19.485 7.086 1.00 44.13 N ATOM 2187 CD2 HIS A 130 -0.318 20.994 7.850 1.00 34.33 C ATOM 2188 CE1 HIS A 130 0.207 18.873 7.887 1.00 4.31 C ATOM 2189 NE2 HIS A 130 -0.637 19.763 8.363 1.00 11.14 N ATOM 0 H HIS A 130 1.639 22.859 8.874 1.00 55.24 H new ATOM 0 HA HIS A 130 2.285 23.835 6.156 1.00 5.40 H new ATOM 0 HB2 HIS A 130 1.059 21.889 5.221 1.00 31.01 H new ATOM 0 HB3 HIS A 130 2.535 21.424 6.043 1.00 31.01 H new ATOM 0 HD1 HIS A 130 1.815 19.033 6.579 1.00 44.13 H new ATOM 0 HD2 HIS A 130 -0.828 21.923 8.055 1.00 34.33 H new ATOM 0 HE1 HIS A 130 0.205 17.817 8.115 1.00 4.31 H new ATOM 2198 N HIS A 131 -0.359 24.107 5.703 1.00 13.22 N ATOM 2199 CA HIS A 131 -1.713 24.661 5.653 1.00 65.51 C ATOM 2200 C HIS A 131 -2.745 23.637 6.154 1.00 61.21 C ATOM 2201 O HIS A 131 -2.795 22.501 5.675 1.00 0.14 O ATOM 2202 CB HIS A 131 -2.069 25.113 4.229 1.00 74.33 C ATOM 2203 CG HIS A 131 -3.473 25.634 4.099 1.00 73.54 C ATOM 2204 ND1 HIS A 131 -4.445 25.007 3.348 1.00 14.35 N ATOM 2205 CD2 HIS A 131 -4.071 26.725 4.639 1.00 40.02 C ATOM 2206 CE1 HIS A 131 -5.571 25.687 3.427 1.00 70.14 C ATOM 2207 NE2 HIS A 131 -5.371 26.732 4.202 1.00 64.41 N ATOM 0 H HIS A 131 0.048 23.900 4.791 1.00 13.22 H new ATOM 0 HA HIS A 131 -1.739 25.530 6.310 1.00 65.51 H new ATOM 0 HB2 HIS A 131 -1.371 25.890 3.918 1.00 74.33 H new ATOM 0 HB3 HIS A 131 -1.937 24.274 3.546 1.00 74.33 H new ATOM 0 HD2 HIS A 131 -3.610 27.452 5.291 1.00 40.02 H new ATOM 0 HE1 HIS A 131 -6.500 25.431 2.939 1.00 70.14 H new ATOM 0 HE2 HIS A 131 -6.071 27.435 4.440 1.00 64.41 H new ATOM 2216 N HIS A 132 -3.559 24.044 7.122 1.00 14.21 N ATOM 2217 CA HIS A 132 -4.593 23.173 7.689 1.00 73.30 C ATOM 2218 C HIS A 132 -5.914 23.291 6.914 1.00 4.33 C ATOM 2219 O HIS A 132 -6.328 24.390 6.546 1.00 64.53 O ATOM 2220 CB HIS A 132 -4.834 23.519 9.165 1.00 63.23 C ATOM 2221 CG HIS A 132 -3.680 23.204 10.067 1.00 21.44 C ATOM 2222 ND1 HIS A 132 -3.687 22.147 10.949 1.00 24.41 N ATOM 2223 CD2 HIS A 132 -2.486 23.819 10.234 1.00 31.22 C ATOM 2224 CE1 HIS A 132 -2.554 22.126 11.620 1.00 44.41 C ATOM 2225 NE2 HIS A 132 -1.806 23.128 11.206 1.00 72.42 N ATOM 0 H HIS A 132 -3.525 24.976 7.535 1.00 14.21 H new ATOM 0 HA HIS A 132 -4.236 22.146 7.609 1.00 73.30 H new ATOM 0 HB2 HIS A 132 -5.063 24.582 9.245 1.00 63.23 H new ATOM 0 HB3 HIS A 132 -5.712 22.977 9.515 1.00 63.23 H new ATOM 0 HD2 HIS A 132 -2.134 24.690 9.702 1.00 31.22 H new ATOM 0 HE1 HIS A 132 -2.284 21.409 12.381 1.00 44.41 H new ATOM 0 HE2 HIS A 132 -0.873 23.354 11.551 1.00 72.42 H new ATOM 2234 N HIS A 133 -6.566 22.153 6.657 1.00 70.34 N ATOM 2235 CA HIS A 133 -7.924 22.162 6.096 1.00 1.32 C ATOM 2236 C HIS A 133 -8.886 22.743 7.141 1.00 32.25 C ATOM 2237 O HIS A 133 -9.767 23.549 6.838 1.00 64.41 O ATOM 2238 CB HIS A 133 -8.370 20.743 5.703 1.00 31.20 C ATOM 2239 CG HIS A 133 -7.345 19.974 4.925 1.00 24.11 C ATOM 2240 ND1 HIS A 133 -6.794 20.419 3.744 1.00 61.51 N ATOM 2241 CD2 HIS A 133 -6.753 18.784 5.184 1.00 31.21 C ATOM 2242 CE1 HIS A 133 -5.913 19.539 3.311 1.00 40.03 C ATOM 2243 NE2 HIS A 133 -5.865 18.538 4.165 1.00 40.30 N ATOM 0 H HIS A 133 -6.183 21.223 6.825 1.00 70.34 H new ATOM 0 HA HIS A 133 -7.932 22.776 5.195 1.00 1.32 H new ATOM 0 HB2 HIS A 133 -8.616 20.187 6.608 1.00 31.20 H new ATOM 0 HB3 HIS A 133 -9.283 20.811 5.112 1.00 31.20 H new ATOM 0 HD2 HIS A 133 -6.944 18.146 6.034 1.00 31.21 H new ATOM 0 HE1 HIS A 133 -5.328 19.625 2.407 1.00 40.03 H new ATOM 0 HE2 HIS A 133 -5.267 17.716 4.083 1.00 40.30 H new ATOM 2252 N HIS A 134 -8.684 22.304 8.381 1.00 33.24 N ATOM 2253 CA HIS A 134 -9.351 22.871 9.555 1.00 43.04 C ATOM 2254 C HIS A 134 -8.350 22.972 10.726 1.00 42.21 C ATOM 2255 O HIS A 134 -7.754 24.055 10.912 1.00 37.95 O ATOM 2256 CB HIS A 134 -10.562 22.017 9.958 1.00 55.21 C ATOM 2257 CG HIS A 134 -11.229 22.491 11.215 1.00 33.31 C ATOM 2258 ND1 HIS A 134 -10.679 22.311 12.466 1.00 14.31 N ATOM 2259 CD2 HIS A 134 -12.387 23.160 11.413 1.00 61.23 C ATOM 2260 CE1 HIS A 134 -11.465 22.845 13.374 1.00 3.24 C ATOM 2261 NE2 HIS A 134 -12.509 23.370 12.766 1.00 41.21 N ATOM 2262 OXT HIS A 134 -8.153 21.957 11.439 1.00 37.95 O ATOM 0 H HIS A 134 -8.048 21.538 8.603 1.00 33.24 H new ATOM 0 HA HIS A 134 -9.710 23.870 9.306 1.00 43.04 H new ATOM 0 HB2 HIS A 134 -11.288 22.022 9.145 1.00 55.21 H new ATOM 0 HB3 HIS A 134 -10.241 20.984 10.092 1.00 55.21 H new ATOM 0 HD1 HIS A 134 -9.797 21.836 12.658 1.00 14.31 H new ATOM 0 HD2 HIS A 134 -13.086 23.471 10.651 1.00 61.23 H new ATOM 0 HE1 HIS A 134 -11.285 22.852 14.439 1.00 3.24 H new TER 2271 HIS A 134