USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=25 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 108 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.246 K(o=-0.25,f=-4.9!) USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc=-0.00547 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.01 (180deg=0.714) USER MOD Single : A 2 ASN : amide:sc= 1.25 K(o=1.3,f=-6.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0.224 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.043 (180deg=-0.162) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 40:sc= 0.813 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -73:sc= 0.831 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00324) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0392 (180deg=-0.236) USER MOD Single : A 73 SER OG : rot -27:sc= 0.0603 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 113:sc= -0.516 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 94 SER OG : rot -38:sc= 0.871 USER MOD Single : A 106 THR OG1 : rot 47:sc= 0.45 USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= -1.54! (180deg=-2.37!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 86:sc= 0.807 USER MOD Single : A 126 SER OG : rot 109:sc= 1 USER MOD Single : A 129 HIS : no HE2:sc= 0.716 K(o=0.72,f=-2.5!) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 131 HIS : no HD1:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 132 HIS : no HE2:sc= -1.33! K(o=-1.3!,f=-1.9) USER MOD Single : A 133 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-1.6) USER MOD Single : A 134 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.213 4.248 7.972 1.00 3.13 N ATOM 2 CA MET A 1 6.108 5.016 8.615 1.00 62.20 C ATOM 3 C MET A 1 4.770 4.273 8.487 1.00 65.34 C ATOM 4 O MET A 1 4.706 3.207 7.877 1.00 32.34 O ATOM 5 CB MET A 1 5.995 6.417 7.992 1.00 45.32 C ATOM 6 CG MET A 1 7.195 7.314 8.271 1.00 61.42 C ATOM 7 SD MET A 1 7.030 8.945 7.520 1.00 24.33 S ATOM 8 CE MET A 1 8.553 9.730 8.050 1.00 53.50 C ATOM 0 H1 MET A 1 8.120 4.721 8.161 1.00 3.13 H new ATOM 0 H2 MET A 1 7.238 3.284 8.361 1.00 3.13 H new ATOM 0 H3 MET A 1 7.053 4.203 6.945 1.00 3.13 H new ATOM 0 HA MET A 1 6.343 5.117 9.675 1.00 62.20 H new ATOM 0 HB2 MET A 1 5.872 6.316 6.914 1.00 45.32 H new ATOM 0 HB3 MET A 1 5.095 6.901 8.371 1.00 45.32 H new ATOM 0 HG2 MET A 1 7.319 7.425 9.348 1.00 61.42 H new ATOM 0 HG3 MET A 1 8.098 6.834 7.894 1.00 61.42 H new ATOM 0 HE1 MET A 1 8.593 10.747 7.661 1.00 53.50 H new ATOM 0 HE2 MET A 1 8.589 9.756 9.139 1.00 53.50 H new ATOM 0 HE3 MET A 1 9.405 9.164 7.673 1.00 53.50 H new ATOM 20 N ASN A 2 3.706 4.841 9.057 1.00 21.30 N ATOM 21 CA ASN A 2 2.382 4.200 9.046 1.00 52.24 C ATOM 22 C ASN A 2 1.648 4.413 7.706 1.00 1.41 C ATOM 23 O ASN A 2 0.660 5.147 7.625 1.00 21.21 O ATOM 24 CB ASN A 2 1.528 4.708 10.224 1.00 43.31 C ATOM 25 CG ASN A 2 1.407 6.226 10.264 1.00 54.04 C ATOM 26 OD1 ASN A 2 2.327 6.950 9.895 1.00 44.54 O ATOM 27 ND2 ASN A 2 0.272 6.724 10.710 1.00 71.01 N ATOM 0 H ASN A 2 3.731 5.743 9.533 1.00 21.30 H new ATOM 0 HA ASN A 2 2.536 3.127 9.161 1.00 52.24 H new ATOM 0 HB2 ASN A 2 0.531 4.272 10.157 1.00 43.31 H new ATOM 0 HB3 ASN A 2 1.966 4.360 11.159 1.00 43.31 H new ATOM 0 HD21 ASN A 2 0.141 7.735 10.755 1.00 71.01 H new ATOM 0 HD22 ASN A 2 -0.476 6.099 11.010 1.00 71.01 H new ATOM 34 N ILE A 3 2.144 3.767 6.655 1.00 63.24 N ATOM 35 CA ILE A 3 1.543 3.877 5.323 1.00 33.44 C ATOM 36 C ILE A 3 1.788 2.604 4.491 1.00 70.12 C ATOM 37 O ILE A 3 2.919 2.123 4.383 1.00 44.43 O ATOM 38 CB ILE A 3 2.079 5.124 4.567 1.00 41.01 C ATOM 39 CG1 ILE A 3 1.481 5.203 3.149 1.00 63.42 C ATOM 40 CG2 ILE A 3 3.608 5.113 4.512 1.00 21.05 C ATOM 41 CD1 ILE A 3 1.872 6.452 2.384 1.00 1.03 C ATOM 0 H ILE A 3 2.962 3.160 6.697 1.00 63.24 H new ATOM 0 HA ILE A 3 0.468 3.993 5.461 1.00 33.44 H new ATOM 0 HB ILE A 3 1.767 6.012 5.117 1.00 41.01 H new ATOM 0 HG12 ILE A 3 1.799 4.328 2.582 1.00 63.42 H new ATOM 0 HG13 ILE A 3 0.394 5.159 3.221 1.00 63.42 H new ATOM 0 HG21 ILE A 3 3.959 5.996 3.978 1.00 21.05 H new ATOM 0 HG22 ILE A 3 4.009 5.119 5.526 1.00 21.05 H new ATOM 0 HG23 ILE A 3 3.947 4.216 3.993 1.00 21.05 H new ATOM 0 HD11 ILE A 3 1.412 6.433 1.396 1.00 1.03 H new ATOM 0 HD12 ILE A 3 1.530 7.333 2.927 1.00 1.03 H new ATOM 0 HD13 ILE A 3 2.956 6.489 2.278 1.00 1.03 H new ATOM 53 N VAL A 4 0.714 2.059 3.919 1.00 71.22 N ATOM 54 CA VAL A 4 0.784 0.822 3.134 1.00 50.43 C ATOM 55 C VAL A 4 0.340 1.058 1.683 1.00 32.55 C ATOM 56 O VAL A 4 -0.708 1.654 1.432 1.00 34.24 O ATOM 57 CB VAL A 4 -0.101 -0.288 3.761 1.00 31.11 C ATOM 58 CG1 VAL A 4 -0.022 -1.581 2.948 1.00 52.41 C ATOM 59 CG2 VAL A 4 0.291 -0.537 5.218 1.00 13.23 C ATOM 0 H VAL A 4 -0.223 2.457 3.985 1.00 71.22 H new ATOM 0 HA VAL A 4 1.825 0.499 3.140 1.00 50.43 H new ATOM 0 HB VAL A 4 -1.135 0.057 3.741 1.00 31.11 H new ATOM 0 HG11 VAL A 4 -0.652 -2.341 3.411 1.00 52.41 H new ATOM 0 HG12 VAL A 4 -0.367 -1.393 1.931 1.00 52.41 H new ATOM 0 HG13 VAL A 4 1.010 -1.932 2.922 1.00 52.41 H new ATOM 0 HG21 VAL A 4 -0.343 -1.319 5.637 1.00 13.23 H new ATOM 0 HG22 VAL A 4 1.334 -0.851 5.266 1.00 13.23 H new ATOM 0 HG23 VAL A 4 0.162 0.381 5.792 1.00 13.23 H new ATOM 69 N ILE A 5 1.142 0.588 0.733 1.00 33.22 N ATOM 70 CA ILE A 5 0.829 0.733 -0.695 1.00 72.10 C ATOM 71 C ILE A 5 0.523 -0.631 -1.337 1.00 63.12 C ATOM 72 O ILE A 5 1.400 -1.484 -1.451 1.00 72.42 O ATOM 73 CB ILE A 5 2.003 1.406 -1.453 1.00 44.55 C ATOM 74 CG1 ILE A 5 2.345 2.759 -0.804 1.00 41.14 C ATOM 75 CG2 ILE A 5 1.663 1.585 -2.937 1.00 40.41 C ATOM 76 CD1 ILE A 5 3.560 3.440 -1.401 1.00 73.44 C ATOM 0 H ILE A 5 2.018 0.101 0.922 1.00 33.22 H new ATOM 0 HA ILE A 5 -0.055 1.366 -0.771 1.00 72.10 H new ATOM 0 HB ILE A 5 2.876 0.757 -1.386 1.00 44.55 H new ATOM 0 HG12 ILE A 5 1.486 3.423 -0.899 1.00 41.14 H new ATOM 0 HG13 ILE A 5 2.514 2.607 0.262 1.00 41.14 H new ATOM 0 HG21 ILE A 5 2.501 2.059 -3.448 1.00 40.41 H new ATOM 0 HG22 ILE A 5 1.468 0.611 -3.386 1.00 40.41 H new ATOM 0 HG23 ILE A 5 0.777 2.213 -3.034 1.00 40.41 H new ATOM 0 HD11 ILE A 5 3.735 4.387 -0.890 1.00 73.44 H new ATOM 0 HD12 ILE A 5 4.432 2.797 -1.282 1.00 73.44 H new ATOM 0 HD13 ILE A 5 3.388 3.627 -2.461 1.00 73.44 H new ATOM 88 N VAL A 6 -0.726 -0.834 -1.751 1.00 34.34 N ATOM 89 CA VAL A 6 -1.146 -2.107 -2.356 1.00 4.23 C ATOM 90 C VAL A 6 -1.088 -2.042 -3.892 1.00 33.35 C ATOM 91 O VAL A 6 -1.782 -1.240 -4.515 1.00 52.10 O ATOM 92 CB VAL A 6 -2.581 -2.492 -1.912 1.00 34.34 C ATOM 93 CG1 VAL A 6 -2.988 -3.848 -2.491 1.00 60.12 C ATOM 94 CG2 VAL A 6 -2.690 -2.492 -0.388 1.00 22.20 C ATOM 0 H VAL A 6 -1.468 -0.137 -1.681 1.00 34.34 H new ATOM 0 HA VAL A 6 -0.450 -2.870 -2.008 1.00 4.23 H new ATOM 0 HB VAL A 6 -3.271 -1.743 -2.302 1.00 34.34 H new ATOM 0 HG11 VAL A 6 -3.998 -4.095 -2.165 1.00 60.12 H new ATOM 0 HG12 VAL A 6 -2.959 -3.802 -3.580 1.00 60.12 H new ATOM 0 HG13 VAL A 6 -2.297 -4.615 -2.142 1.00 60.12 H new ATOM 0 HG21 VAL A 6 -3.704 -2.764 -0.096 1.00 22.20 H new ATOM 0 HG22 VAL A 6 -1.986 -3.214 0.027 1.00 22.20 H new ATOM 0 HG23 VAL A 6 -2.457 -1.498 -0.007 1.00 22.20 H new ATOM 104 N VAL A 7 -0.258 -2.891 -4.496 1.00 43.52 N ATOM 105 CA VAL A 7 -0.087 -2.905 -5.957 1.00 34.43 C ATOM 106 C VAL A 7 -0.659 -4.184 -6.591 1.00 3.12 C ATOM 107 O VAL A 7 -0.138 -5.281 -6.374 1.00 10.41 O ATOM 108 CB VAL A 7 1.411 -2.782 -6.346 1.00 22.23 C ATOM 109 CG1 VAL A 7 1.582 -2.727 -7.866 1.00 22.53 C ATOM 110 CG2 VAL A 7 2.046 -1.562 -5.685 1.00 34.20 C ATOM 0 H VAL A 7 0.309 -3.580 -4.001 1.00 43.52 H new ATOM 0 HA VAL A 7 -0.638 -2.046 -6.339 1.00 34.43 H new ATOM 0 HB VAL A 7 1.925 -3.672 -5.982 1.00 22.23 H new ATOM 0 HG11 VAL A 7 2.641 -2.641 -8.110 1.00 22.53 H new ATOM 0 HG12 VAL A 7 1.180 -3.637 -8.311 1.00 22.53 H new ATOM 0 HG13 VAL A 7 1.047 -1.863 -8.261 1.00 22.53 H new ATOM 0 HG21 VAL A 7 3.095 -1.497 -5.973 1.00 34.20 H new ATOM 0 HG22 VAL A 7 1.525 -0.661 -6.008 1.00 34.20 H new ATOM 0 HG23 VAL A 7 1.972 -1.655 -4.602 1.00 34.20 H new ATOM 120 N PHE A 8 -1.722 -4.039 -7.383 1.00 14.05 N ATOM 121 CA PHE A 8 -2.303 -5.170 -8.129 1.00 1.13 C ATOM 122 C PHE A 8 -1.600 -5.374 -9.484 1.00 64.01 C ATOM 123 O PHE A 8 -2.245 -5.610 -10.509 1.00 21.40 O ATOM 124 CB PHE A 8 -3.809 -4.952 -8.345 1.00 75.23 C ATOM 125 CG PHE A 8 -4.645 -5.172 -7.107 1.00 52.04 C ATOM 126 CD1 PHE A 8 -4.799 -4.166 -6.164 1.00 24.40 C ATOM 127 CD2 PHE A 8 -5.279 -6.389 -6.890 1.00 74.45 C ATOM 128 CE1 PHE A 8 -5.569 -4.371 -5.033 1.00 45.51 C ATOM 129 CE2 PHE A 8 -6.048 -6.597 -5.762 1.00 73.44 C ATOM 130 CZ PHE A 8 -6.193 -5.586 -4.831 1.00 1.31 C ATOM 0 H PHE A 8 -2.203 -3.151 -7.528 1.00 14.05 H new ATOM 0 HA PHE A 8 -2.153 -6.070 -7.533 1.00 1.13 H new ATOM 0 HB2 PHE A 8 -3.971 -3.936 -8.704 1.00 75.23 H new ATOM 0 HB3 PHE A 8 -4.155 -5.626 -9.129 1.00 75.23 H new ATOM 0 HD1 PHE A 8 -4.313 -3.213 -6.314 1.00 24.40 H new ATOM 0 HD2 PHE A 8 -5.169 -7.183 -7.613 1.00 74.45 H new ATOM 0 HE1 PHE A 8 -5.682 -3.579 -4.307 1.00 45.51 H new ATOM 0 HE2 PHE A 8 -6.535 -7.548 -5.608 1.00 73.44 H new ATOM 0 HZ PHE A 8 -6.793 -5.746 -3.947 1.00 1.31 H new ATOM 140 N SER A 9 -0.271 -5.302 -9.477 1.00 1.20 N ATOM 141 CA SER A 9 0.525 -5.489 -10.698 1.00 41.32 C ATOM 142 C SER A 9 1.917 -6.045 -10.373 1.00 63.43 C ATOM 143 O SER A 9 2.746 -5.364 -9.772 1.00 22.21 O ATOM 144 CB SER A 9 0.663 -4.168 -11.472 1.00 33.24 C ATOM 145 OG SER A 9 -0.596 -3.703 -11.937 1.00 55.43 O ATOM 0 H SER A 9 0.282 -5.115 -8.641 1.00 1.20 H new ATOM 0 HA SER A 9 -0.002 -6.211 -11.322 1.00 41.32 H new ATOM 0 HB2 SER A 9 1.116 -3.414 -10.828 1.00 33.24 H new ATOM 0 HB3 SER A 9 1.335 -4.310 -12.318 1.00 33.24 H new ATOM 0 HG SER A 9 -0.474 -2.861 -12.423 1.00 55.43 H new ATOM 151 N THR A 10 2.159 -7.289 -10.773 1.00 72.02 N ATOM 152 CA THR A 10 3.457 -7.949 -10.554 1.00 20.23 C ATOM 153 C THR A 10 4.545 -7.438 -11.516 1.00 24.02 C ATOM 154 O THR A 10 5.729 -7.747 -11.352 1.00 3.23 O ATOM 155 CB THR A 10 3.333 -9.483 -10.715 1.00 51.23 C ATOM 156 OG1 THR A 10 2.822 -9.801 -12.020 1.00 15.41 O ATOM 157 CG2 THR A 10 2.413 -10.070 -9.650 1.00 24.24 C ATOM 0 H THR A 10 1.473 -7.870 -11.255 1.00 72.02 H new ATOM 0 HA THR A 10 3.753 -7.704 -9.534 1.00 20.23 H new ATOM 0 HB THR A 10 4.325 -9.918 -10.596 1.00 51.23 H new ATOM 0 HG1 THR A 10 2.748 -10.774 -12.114 1.00 15.41 H new ATOM 0 HG21 THR A 10 2.342 -11.149 -9.785 1.00 24.24 H new ATOM 0 HG22 THR A 10 2.817 -9.854 -8.661 1.00 24.24 H new ATOM 0 HG23 THR A 10 1.421 -9.627 -9.742 1.00 24.24 H new ATOM 165 N ASP A 11 4.137 -6.657 -12.514 1.00 44.23 N ATOM 166 CA ASP A 11 5.055 -6.109 -13.521 1.00 45.14 C ATOM 167 C ASP A 11 6.196 -5.286 -12.895 1.00 75.01 C ATOM 168 O ASP A 11 5.958 -4.339 -12.137 1.00 4.21 O ATOM 169 CB ASP A 11 4.276 -5.239 -14.505 1.00 71.21 C ATOM 170 CG ASP A 11 3.155 -6.011 -15.174 1.00 24.50 C ATOM 171 OD1 ASP A 11 2.168 -6.344 -14.488 1.00 60.21 O ATOM 172 OD2 ASP A 11 3.265 -6.298 -16.386 1.00 22.23 O ATOM 0 H ASP A 11 3.164 -6.384 -12.651 1.00 44.23 H new ATOM 0 HA ASP A 11 5.510 -6.953 -14.038 1.00 45.14 H new ATOM 0 HB2 ASP A 11 3.862 -4.378 -13.980 1.00 71.21 H new ATOM 0 HB3 ASP A 11 4.955 -4.852 -15.265 1.00 71.21 H new ATOM 177 N GLU A 12 7.433 -5.643 -13.246 1.00 60.20 N ATOM 178 CA GLU A 12 8.627 -4.959 -12.733 1.00 13.24 C ATOM 179 C GLU A 12 8.580 -3.442 -12.989 1.00 20.12 C ATOM 180 O GLU A 12 8.915 -2.646 -12.113 1.00 33.45 O ATOM 181 CB GLU A 12 9.890 -5.549 -13.380 1.00 71.53 C ATOM 182 CG GLU A 12 9.939 -5.379 -14.896 1.00 35.32 C ATOM 183 CD GLU A 12 11.226 -5.899 -15.513 1.00 32.20 C ATOM 184 OE1 GLU A 12 12.266 -5.218 -15.397 1.00 4.22 O ATOM 185 OE2 GLU A 12 11.201 -6.989 -16.120 1.00 71.35 O ATOM 0 H GLU A 12 7.637 -6.408 -13.889 1.00 60.20 H new ATOM 0 HA GLU A 12 8.652 -5.116 -11.655 1.00 13.24 H new ATOM 0 HB2 GLU A 12 10.768 -5.074 -12.941 1.00 71.53 H new ATOM 0 HB3 GLU A 12 9.948 -6.611 -13.140 1.00 71.53 H new ATOM 0 HG2 GLU A 12 9.093 -5.901 -15.342 1.00 35.32 H new ATOM 0 HG3 GLU A 12 9.827 -4.323 -15.141 1.00 35.32 H new ATOM 192 N GLU A 13 8.156 -3.055 -14.195 1.00 3.25 N ATOM 193 CA GLU A 13 8.106 -1.644 -14.600 1.00 61.23 C ATOM 194 C GLU A 13 7.025 -0.867 -13.842 1.00 25.54 C ATOM 195 O GLU A 13 7.234 0.280 -13.443 1.00 52.12 O ATOM 196 CB GLU A 13 7.857 -1.545 -16.108 1.00 2.01 C ATOM 197 CG GLU A 13 8.970 -2.145 -16.956 1.00 11.31 C ATOM 198 CD GLU A 13 10.255 -1.331 -16.908 1.00 42.32 C ATOM 199 OE1 GLU A 13 10.396 -0.396 -17.723 1.00 54.42 O ATOM 200 OE2 GLU A 13 11.128 -1.617 -16.060 1.00 14.40 O ATOM 0 H GLU A 13 7.839 -3.704 -14.915 1.00 3.25 H new ATOM 0 HA GLU A 13 9.068 -1.195 -14.353 1.00 61.23 H new ATOM 0 HB2 GLU A 13 6.920 -2.049 -16.346 1.00 2.01 H new ATOM 0 HB3 GLU A 13 7.732 -0.496 -16.378 1.00 2.01 H new ATOM 0 HG2 GLU A 13 9.175 -3.159 -16.613 1.00 11.31 H new ATOM 0 HG3 GLU A 13 8.632 -2.221 -17.990 1.00 11.31 H new ATOM 207 N THR A 14 5.867 -1.487 -13.653 1.00 41.10 N ATOM 208 CA THR A 14 4.786 -0.867 -12.878 1.00 52.34 C ATOM 209 C THR A 14 5.242 -0.586 -11.440 1.00 24.12 C ATOM 210 O THR A 14 5.120 0.535 -10.945 1.00 13.30 O ATOM 211 CB THR A 14 3.517 -1.754 -12.842 1.00 44.32 C ATOM 212 OG1 THR A 14 3.102 -2.081 -14.181 1.00 40.20 O ATOM 213 CG2 THR A 14 2.374 -1.049 -12.116 1.00 50.34 C ATOM 0 H THR A 14 5.647 -2.413 -14.021 1.00 41.10 H new ATOM 0 HA THR A 14 4.539 0.070 -13.377 1.00 52.34 H new ATOM 0 HB THR A 14 3.763 -2.668 -12.301 1.00 44.32 H new ATOM 0 HG1 THR A 14 2.300 -2.643 -14.147 1.00 40.20 H new ATOM 0 HG21 THR A 14 1.496 -1.695 -12.106 1.00 50.34 H new ATOM 0 HG22 THR A 14 2.674 -0.829 -11.092 1.00 50.34 H new ATOM 0 HG23 THR A 14 2.134 -0.119 -12.631 1.00 50.34 H new ATOM 221 N LEU A 15 5.787 -1.610 -10.783 1.00 31.13 N ATOM 222 CA LEU A 15 6.318 -1.467 -9.421 1.00 31.22 C ATOM 223 C LEU A 15 7.528 -0.512 -9.396 1.00 73.44 C ATOM 224 O LEU A 15 7.763 0.201 -8.416 1.00 51.11 O ATOM 225 CB LEU A 15 6.706 -2.847 -8.869 1.00 64.32 C ATOM 226 CG LEU A 15 7.188 -2.870 -7.410 1.00 42.31 C ATOM 227 CD1 LEU A 15 6.126 -2.291 -6.476 1.00 52.01 C ATOM 228 CD2 LEU A 15 7.555 -4.294 -6.996 1.00 11.22 C ATOM 0 H LEU A 15 5.874 -2.550 -11.170 1.00 31.13 H new ATOM 0 HA LEU A 15 5.543 -1.035 -8.788 1.00 31.22 H new ATOM 0 HB2 LEU A 15 5.845 -3.509 -8.958 1.00 64.32 H new ATOM 0 HB3 LEU A 15 7.493 -3.262 -9.499 1.00 64.32 H new ATOM 0 HG LEU A 15 8.078 -2.246 -7.332 1.00 42.31 H new ATOM 0 HD11 LEU A 15 6.491 -2.318 -5.449 1.00 52.01 H new ATOM 0 HD12 LEU A 15 5.916 -1.260 -6.759 1.00 52.01 H new ATOM 0 HD13 LEU A 15 5.213 -2.882 -6.553 1.00 52.01 H new ATOM 0 HD21 LEU A 15 7.895 -4.296 -5.960 1.00 11.22 H new ATOM 0 HD22 LEU A 15 6.681 -4.938 -7.092 1.00 11.22 H new ATOM 0 HD23 LEU A 15 8.352 -4.666 -7.640 1.00 11.22 H new ATOM 240 N ARG A 16 8.282 -0.507 -10.492 1.00 0.23 N ATOM 241 CA ARG A 16 9.416 0.406 -10.680 1.00 23.43 C ATOM 242 C ARG A 16 8.986 1.874 -10.514 1.00 3.00 C ATOM 243 O ARG A 16 9.690 2.667 -9.886 1.00 22.34 O ATOM 244 CB ARG A 16 10.002 0.177 -12.078 1.00 24.20 C ATOM 245 CG ARG A 16 11.171 1.074 -12.462 1.00 62.32 C ATOM 246 CD ARG A 16 11.612 0.780 -13.894 1.00 31.40 C ATOM 247 NE ARG A 16 12.746 1.588 -14.328 1.00 15.43 N ATOM 248 CZ ARG A 16 13.283 1.506 -15.518 1.00 72.34 C ATOM 249 NH1 ARG A 16 12.819 0.675 -16.401 1.00 5.23 N ATOM 250 NH2 ARG A 16 14.292 2.255 -15.821 1.00 44.41 N ATOM 0 H ARG A 16 8.127 -1.136 -11.280 1.00 0.23 H new ATOM 0 HA ARG A 16 10.169 0.200 -9.920 1.00 23.43 H new ATOM 0 HB2 ARG A 16 10.326 -0.861 -12.150 1.00 24.20 H new ATOM 0 HB3 ARG A 16 9.207 0.314 -12.811 1.00 24.20 H new ATOM 0 HG2 ARG A 16 10.881 2.121 -12.371 1.00 62.32 H new ATOM 0 HG3 ARG A 16 12.003 0.913 -11.777 1.00 62.32 H new ATOM 0 HD2 ARG A 16 11.874 -0.275 -13.976 1.00 31.40 H new ATOM 0 HD3 ARG A 16 10.773 0.953 -14.568 1.00 31.40 H new ATOM 0 HE ARG A 16 13.143 2.255 -13.666 1.00 15.43 H new ATOM 0 HH11 ARG A 16 12.026 0.076 -16.171 1.00 5.23 H new ATOM 0 HH12 ARG A 16 13.247 0.621 -17.325 1.00 5.23 H new ATOM 0 HH21 ARG A 16 14.667 2.908 -15.133 1.00 44.41 H new ATOM 0 HH22 ARG A 16 14.713 2.193 -16.748 1.00 44.41 H new ATOM 264 N LYS A 17 7.817 2.214 -11.065 1.00 34.34 N ATOM 265 CA LYS A 17 7.260 3.573 -10.950 1.00 41.12 C ATOM 266 C LYS A 17 7.155 4.012 -9.482 1.00 53.41 C ATOM 267 O LYS A 17 7.534 5.130 -9.126 1.00 50.02 O ATOM 268 CB LYS A 17 5.873 3.637 -11.606 1.00 42.53 C ATOM 269 CG LYS A 17 5.856 3.186 -13.063 1.00 21.54 C ATOM 270 CD LYS A 17 6.773 4.036 -13.935 1.00 24.03 C ATOM 271 CE LYS A 17 6.820 3.530 -15.372 1.00 51.43 C ATOM 272 NZ LYS A 17 7.686 4.383 -16.230 1.00 71.41 N ATOM 0 H LYS A 17 7.234 1.568 -11.597 1.00 34.34 H new ATOM 0 HA LYS A 17 7.938 4.253 -11.465 1.00 41.12 H new ATOM 0 HB2 LYS A 17 5.183 3.015 -11.035 1.00 42.53 H new ATOM 0 HB3 LYS A 17 5.502 4.660 -11.548 1.00 42.53 H new ATOM 0 HG2 LYS A 17 6.164 2.142 -13.123 1.00 21.54 H new ATOM 0 HG3 LYS A 17 4.837 3.240 -13.447 1.00 21.54 H new ATOM 0 HD2 LYS A 17 6.428 5.070 -13.925 1.00 24.03 H new ATOM 0 HD3 LYS A 17 7.779 4.032 -13.516 1.00 24.03 H new ATOM 0 HE2 LYS A 17 7.192 2.506 -15.385 1.00 51.43 H new ATOM 0 HE3 LYS A 17 5.811 3.508 -15.783 1.00 51.43 H new ATOM 0 HZ1 LYS A 17 7.692 4.007 -17.200 1.00 71.41 H new ATOM 0 HZ2 LYS A 17 7.317 5.355 -16.238 1.00 71.41 H new ATOM 0 HZ3 LYS A 17 8.655 4.384 -15.853 1.00 71.41 H new ATOM 286 N PHE A 18 6.633 3.124 -8.636 1.00 11.31 N ATOM 287 CA PHE A 18 6.524 3.395 -7.198 1.00 2.41 C ATOM 288 C PHE A 18 7.905 3.664 -6.587 1.00 63.22 C ATOM 289 O PHE A 18 8.077 4.582 -5.786 1.00 14.41 O ATOM 290 CB PHE A 18 5.863 2.211 -6.478 1.00 74.53 C ATOM 291 CG PHE A 18 4.464 1.912 -6.960 1.00 72.21 C ATOM 292 CD1 PHE A 18 4.256 1.095 -8.062 1.00 43.52 C ATOM 293 CD2 PHE A 18 3.360 2.450 -6.315 1.00 41.22 C ATOM 294 CE1 PHE A 18 2.979 0.824 -8.512 1.00 54.53 C ATOM 295 CE2 PHE A 18 2.082 2.181 -6.760 1.00 75.23 C ATOM 296 CZ PHE A 18 1.893 1.368 -7.861 1.00 33.14 C ATOM 0 H PHE A 18 6.278 2.210 -8.919 1.00 11.31 H new ATOM 0 HA PHE A 18 5.905 4.283 -7.070 1.00 2.41 H new ATOM 0 HB2 PHE A 18 6.482 1.324 -6.613 1.00 74.53 H new ATOM 0 HB3 PHE A 18 5.833 2.419 -5.408 1.00 74.53 H new ATOM 0 HD1 PHE A 18 5.104 0.665 -8.575 1.00 43.52 H new ATOM 0 HD2 PHE A 18 3.503 3.087 -5.454 1.00 41.22 H new ATOM 0 HE1 PHE A 18 2.832 0.187 -9.372 1.00 54.53 H new ATOM 0 HE2 PHE A 18 1.231 2.605 -6.248 1.00 75.23 H new ATOM 0 HZ PHE A 18 0.893 1.159 -8.212 1.00 33.14 H new ATOM 306 N LYS A 19 8.887 2.858 -6.982 1.00 74.45 N ATOM 307 CA LYS A 19 10.259 3.008 -6.492 1.00 0.44 C ATOM 308 C LYS A 19 10.855 4.366 -6.894 1.00 71.42 C ATOM 309 O LYS A 19 11.516 5.023 -6.089 1.00 40.40 O ATOM 310 CB LYS A 19 11.137 1.864 -7.016 1.00 35.51 C ATOM 311 CG LYS A 19 10.641 0.484 -6.594 1.00 54.43 C ATOM 312 CD LYS A 19 11.513 -0.634 -7.157 1.00 63.34 C ATOM 313 CE LYS A 19 11.015 -2.008 -6.724 1.00 41.20 C ATOM 314 NZ LYS A 19 11.861 -3.104 -7.265 1.00 25.10 N ATOM 0 H LYS A 19 8.760 2.091 -7.642 1.00 74.45 H new ATOM 0 HA LYS A 19 10.232 2.966 -5.403 1.00 0.44 H new ATOM 0 HB2 LYS A 19 11.174 1.912 -8.104 1.00 35.51 H new ATOM 0 HB3 LYS A 19 12.156 2.003 -6.656 1.00 35.51 H new ATOM 0 HG2 LYS A 19 10.628 0.421 -5.506 1.00 54.43 H new ATOM 0 HG3 LYS A 19 9.614 0.349 -6.933 1.00 54.43 H new ATOM 0 HD2 LYS A 19 11.522 -0.576 -8.245 1.00 63.34 H new ATOM 0 HD3 LYS A 19 12.541 -0.497 -6.822 1.00 63.34 H new ATOM 0 HE2 LYS A 19 11.004 -2.063 -5.635 1.00 41.20 H new ATOM 0 HE3 LYS A 19 9.987 -2.144 -7.061 1.00 41.20 H new ATOM 0 HZ1 LYS A 19 11.487 -4.021 -6.946 1.00 25.10 H new ATOM 0 HZ2 LYS A 19 11.852 -3.069 -8.304 1.00 25.10 H new ATOM 0 HZ3 LYS A 19 12.837 -2.990 -6.923 1.00 25.10 H new ATOM 328 N ASP A 20 10.606 4.785 -8.137 1.00 12.24 N ATOM 329 CA ASP A 20 11.078 6.086 -8.628 1.00 14.51 C ATOM 330 C ASP A 20 10.448 7.253 -7.844 1.00 0.34 C ATOM 331 O ASP A 20 11.133 8.207 -7.473 1.00 42.43 O ATOM 332 CB ASP A 20 10.793 6.242 -10.130 1.00 61.22 C ATOM 333 CG ASP A 20 11.695 5.369 -10.993 1.00 32.25 C ATOM 334 OD1 ASP A 20 12.936 5.504 -10.891 1.00 12.22 O ATOM 335 OD2 ASP A 20 11.174 4.569 -11.799 1.00 55.54 O ATOM 0 H ASP A 20 10.080 4.244 -8.823 1.00 12.24 H new ATOM 0 HA ASP A 20 12.156 6.118 -8.470 1.00 14.51 H new ATOM 0 HB2 ASP A 20 9.752 5.987 -10.326 1.00 61.22 H new ATOM 0 HB3 ASP A 20 10.925 7.286 -10.414 1.00 61.22 H new ATOM 340 N ILE A 21 9.146 7.169 -7.585 1.00 21.23 N ATOM 341 CA ILE A 21 8.434 8.220 -6.849 1.00 10.05 C ATOM 342 C ILE A 21 8.877 8.291 -5.374 1.00 40.44 C ATOM 343 O ILE A 21 9.206 9.365 -4.859 1.00 34.42 O ATOM 344 CB ILE A 21 6.898 8.009 -6.919 1.00 2.15 C ATOM 345 CG1 ILE A 21 6.422 8.040 -8.384 1.00 2.22 C ATOM 346 CG2 ILE A 21 6.162 9.061 -6.086 1.00 32.11 C ATOM 347 CD1 ILE A 21 4.939 7.777 -8.555 1.00 62.13 C ATOM 0 H ILE A 21 8.559 6.386 -7.872 1.00 21.23 H new ATOM 0 HA ILE A 21 8.688 9.165 -7.330 1.00 10.05 H new ATOM 0 HB ILE A 21 6.666 7.030 -6.499 1.00 2.15 H new ATOM 0 HG12 ILE A 21 6.660 9.014 -8.812 1.00 2.22 H new ATOM 0 HG13 ILE A 21 6.981 7.297 -8.953 1.00 2.22 H new ATOM 0 HG21 ILE A 21 5.087 8.891 -6.152 1.00 32.11 H new ATOM 0 HG22 ILE A 21 6.478 8.987 -5.045 1.00 32.11 H new ATOM 0 HG23 ILE A 21 6.396 10.055 -6.467 1.00 32.11 H new ATOM 0 HD11 ILE A 21 4.682 7.816 -9.614 1.00 62.13 H new ATOM 0 HD12 ILE A 21 4.696 6.791 -8.159 1.00 62.13 H new ATOM 0 HD13 ILE A 21 4.371 8.535 -8.016 1.00 62.13 H new ATOM 359 N ILE A 22 8.897 7.140 -4.702 1.00 10.42 N ATOM 360 CA ILE A 22 9.256 7.076 -3.282 1.00 30.21 C ATOM 361 C ILE A 22 10.715 7.514 -3.036 1.00 41.43 C ATOM 362 O ILE A 22 11.000 8.256 -2.089 1.00 32.00 O ATOM 363 CB ILE A 22 9.028 5.654 -2.705 1.00 73.22 C ATOM 364 CG1 ILE A 22 7.547 5.252 -2.833 1.00 34.44 C ATOM 365 CG2 ILE A 22 9.472 5.585 -1.245 1.00 34.02 C ATOM 366 CD1 ILE A 22 7.251 3.845 -2.354 1.00 15.04 C ATOM 0 H ILE A 22 8.669 6.237 -5.117 1.00 10.42 H new ATOM 0 HA ILE A 22 8.599 7.775 -2.763 1.00 30.21 H new ATOM 0 HB ILE A 22 9.631 4.952 -3.281 1.00 73.22 H new ATOM 0 HG12 ILE A 22 6.939 5.955 -2.264 1.00 34.44 H new ATOM 0 HG13 ILE A 22 7.245 5.342 -3.876 1.00 34.44 H new ATOM 0 HG21 ILE A 22 9.303 4.579 -0.861 1.00 34.02 H new ATOM 0 HG22 ILE A 22 10.533 5.827 -1.175 1.00 34.02 H new ATOM 0 HG23 ILE A 22 8.897 6.300 -0.656 1.00 34.02 H new ATOM 0 HD11 ILE A 22 6.188 3.635 -2.476 1.00 15.04 H new ATOM 0 HD12 ILE A 22 7.831 3.132 -2.940 1.00 15.04 H new ATOM 0 HD13 ILE A 22 7.520 3.755 -1.302 1.00 15.04 H new ATOM 378 N LYS A 23 11.636 7.068 -3.895 1.00 4.42 N ATOM 379 CA LYS A 23 13.046 7.466 -3.770 1.00 11.24 C ATOM 380 C LYS A 23 13.205 8.977 -3.997 1.00 0.51 C ATOM 381 O LYS A 23 14.023 9.632 -3.353 1.00 55.14 O ATOM 382 CB LYS A 23 13.937 6.696 -4.762 1.00 70.44 C ATOM 383 CG LYS A 23 13.802 7.156 -6.211 1.00 22.43 C ATOM 384 CD LYS A 23 14.741 6.404 -7.153 1.00 32.42 C ATOM 385 CE LYS A 23 14.635 6.932 -8.578 1.00 60.34 C ATOM 386 NZ LYS A 23 15.531 6.210 -9.515 1.00 23.33 N ATOM 0 H LYS A 23 11.438 6.440 -4.674 1.00 4.42 H new ATOM 0 HA LYS A 23 13.366 7.220 -2.757 1.00 11.24 H new ATOM 0 HB2 LYS A 23 14.978 6.800 -4.455 1.00 70.44 H new ATOM 0 HB3 LYS A 23 13.693 5.635 -4.705 1.00 70.44 H new ATOM 0 HG2 LYS A 23 12.772 7.014 -6.540 1.00 22.43 H new ATOM 0 HG3 LYS A 23 14.011 8.224 -6.271 1.00 22.43 H new ATOM 0 HD2 LYS A 23 15.768 6.503 -6.802 1.00 32.42 H new ATOM 0 HD3 LYS A 23 14.500 5.341 -7.138 1.00 32.42 H new ATOM 0 HE2 LYS A 23 13.604 6.840 -8.921 1.00 60.34 H new ATOM 0 HE3 LYS A 23 14.881 7.994 -8.589 1.00 60.34 H new ATOM 0 HZ1 LYS A 23 16.167 6.889 -9.980 1.00 23.33 H new ATOM 0 HZ2 LYS A 23 16.094 5.512 -8.988 1.00 23.33 H new ATOM 0 HZ3 LYS A 23 14.960 5.722 -10.235 1.00 23.33 H new ATOM 400 N LYS A 24 12.409 9.519 -4.919 1.00 74.01 N ATOM 401 CA LYS A 24 12.429 10.953 -5.224 1.00 52.40 C ATOM 402 C LYS A 24 12.068 11.794 -3.989 1.00 44.32 C ATOM 403 O LYS A 24 12.707 12.812 -3.706 1.00 71.13 O ATOM 404 CB LYS A 24 11.467 11.260 -6.381 1.00 11.33 C ATOM 405 CG LYS A 24 11.419 12.731 -6.780 1.00 4.21 C ATOM 406 CD LYS A 24 10.543 12.962 -8.008 1.00 74.43 C ATOM 407 CE LYS A 24 11.068 12.219 -9.235 1.00 22.30 C ATOM 408 NZ LYS A 24 12.461 12.617 -9.579 1.00 12.20 N ATOM 0 H LYS A 24 11.738 8.985 -5.471 1.00 74.01 H new ATOM 0 HA LYS A 24 13.442 11.221 -5.523 1.00 52.40 H new ATOM 0 HB2 LYS A 24 11.760 10.669 -7.249 1.00 11.33 H new ATOM 0 HB3 LYS A 24 10.464 10.938 -6.100 1.00 11.33 H new ATOM 0 HG2 LYS A 24 11.037 13.320 -5.946 1.00 4.21 H new ATOM 0 HG3 LYS A 24 12.430 13.084 -6.984 1.00 4.21 H new ATOM 0 HD2 LYS A 24 9.526 12.635 -7.794 1.00 74.43 H new ATOM 0 HD3 LYS A 24 10.496 14.029 -8.224 1.00 74.43 H new ATOM 0 HE2 LYS A 24 11.034 11.145 -9.050 1.00 22.30 H new ATOM 0 HE3 LYS A 24 10.415 12.417 -10.085 1.00 22.30 H new ATOM 0 HZ1 LYS A 24 12.710 12.235 -10.514 1.00 12.20 H new ATOM 0 HZ2 LYS A 24 12.531 13.654 -9.599 1.00 12.20 H new ATOM 0 HZ3 LYS A 24 13.116 12.239 -8.865 1.00 12.20 H new ATOM 422 N ASN A 25 11.045 11.359 -3.255 1.00 53.43 N ATOM 423 CA ASN A 25 10.645 12.027 -2.009 1.00 74.12 C ATOM 424 C ASN A 25 11.667 11.784 -0.882 1.00 70.15 C ATOM 425 O ASN A 25 11.847 12.627 -0.001 1.00 20.22 O ATOM 426 CB ASN A 25 9.251 11.552 -1.580 1.00 61.11 C ATOM 427 CG ASN A 25 8.168 11.979 -2.557 1.00 1.53 C ATOM 428 OD1 ASN A 25 8.264 13.021 -3.197 1.00 4.52 O ATOM 429 ND2 ASN A 25 7.125 11.184 -2.676 1.00 22.11 N ATOM 0 H ASN A 25 10.476 10.548 -3.498 1.00 53.43 H new ATOM 0 HA ASN A 25 10.614 13.100 -2.199 1.00 74.12 H new ATOM 0 HB2 ASN A 25 9.251 10.465 -1.494 1.00 61.11 H new ATOM 0 HB3 ASN A 25 9.023 11.950 -0.591 1.00 61.11 H new ATOM 0 HD21 ASN A 25 6.368 11.428 -3.314 1.00 22.11 H new ATOM 0 HD22 ASN A 25 7.074 10.324 -2.130 1.00 22.11 H new ATOM 436 N GLY A 26 12.335 10.629 -0.913 1.00 43.20 N ATOM 437 CA GLY A 26 13.395 10.345 0.057 1.00 61.41 C ATOM 438 C GLY A 26 13.012 9.304 1.107 1.00 1.23 C ATOM 439 O GLY A 26 13.344 9.453 2.286 1.00 51.50 O ATOM 0 H GLY A 26 12.165 9.884 -1.589 1.00 43.20 H new ATOM 0 HA2 GLY A 26 14.280 9.999 -0.478 1.00 61.41 H new ATOM 0 HA3 GLY A 26 13.670 11.271 0.562 1.00 61.41 H new ATOM 443 N PHE A 27 12.328 8.242 0.685 1.00 64.23 N ATOM 444 CA PHE A 27 11.926 7.158 1.599 1.00 73.33 C ATOM 445 C PHE A 27 12.369 5.784 1.066 1.00 43.11 C ATOM 446 O PHE A 27 12.579 5.613 -0.136 1.00 21.32 O ATOM 447 CB PHE A 27 10.404 7.177 1.804 1.00 63.52 C ATOM 448 CG PHE A 27 9.883 8.477 2.366 1.00 51.54 C ATOM 449 CD1 PHE A 27 9.823 8.684 3.737 1.00 14.54 C ATOM 450 CD2 PHE A 27 9.454 9.494 1.523 1.00 75.43 C ATOM 451 CE1 PHE A 27 9.348 9.876 4.254 1.00 74.34 C ATOM 452 CE2 PHE A 27 8.979 10.686 2.035 1.00 43.33 C ATOM 453 CZ PHE A 27 8.925 10.878 3.402 1.00 44.05 C ATOM 0 H PHE A 27 12.037 8.103 -0.283 1.00 64.23 H new ATOM 0 HA PHE A 27 12.420 7.325 2.556 1.00 73.33 H new ATOM 0 HB2 PHE A 27 9.915 6.983 0.849 1.00 63.52 H new ATOM 0 HB3 PHE A 27 10.127 6.364 2.475 1.00 63.52 H new ATOM 0 HD1 PHE A 27 10.151 7.905 4.409 1.00 14.54 H new ATOM 0 HD2 PHE A 27 9.492 9.351 0.453 1.00 75.43 H new ATOM 0 HE1 PHE A 27 9.308 10.023 5.323 1.00 74.34 H new ATOM 0 HE2 PHE A 27 8.650 11.468 1.367 1.00 43.33 H new ATOM 0 HZ PHE A 27 8.553 11.809 3.804 1.00 44.05 H new ATOM 463 N LYS A 28 12.515 4.809 1.964 1.00 61.32 N ATOM 464 CA LYS A 28 12.915 3.449 1.572 1.00 41.54 C ATOM 465 C LYS A 28 11.696 2.613 1.147 1.00 33.21 C ATOM 466 O LYS A 28 10.626 2.708 1.747 1.00 54.32 O ATOM 467 CB LYS A 28 13.662 2.741 2.721 1.00 62.43 C ATOM 468 CG LYS A 28 15.066 3.281 3.002 1.00 63.44 C ATOM 469 CD LYS A 28 15.045 4.706 3.554 1.00 74.41 C ATOM 470 CE LYS A 28 16.453 5.228 3.816 1.00 65.02 C ATOM 471 NZ LYS A 28 16.440 6.603 4.376 1.00 2.01 N ATOM 0 H LYS A 28 12.364 4.931 2.965 1.00 61.32 H new ATOM 0 HA LYS A 28 13.588 3.539 0.719 1.00 41.54 H new ATOM 0 HB2 LYS A 28 13.066 2.826 3.630 1.00 62.43 H new ATOM 0 HB3 LYS A 28 13.736 1.679 2.487 1.00 62.43 H new ATOM 0 HG2 LYS A 28 15.568 2.626 3.714 1.00 63.44 H new ATOM 0 HG3 LYS A 28 15.651 3.260 2.082 1.00 63.44 H new ATOM 0 HD2 LYS A 28 14.539 5.363 2.847 1.00 74.41 H new ATOM 0 HD3 LYS A 28 14.470 4.730 4.479 1.00 74.41 H new ATOM 0 HE2 LYS A 28 16.965 4.559 4.508 1.00 65.02 H new ATOM 0 HE3 LYS A 28 17.022 5.220 2.886 1.00 65.02 H new ATOM 0 HZ1 LYS A 28 17.417 6.920 4.540 1.00 2.01 H new ATOM 0 HZ2 LYS A 28 15.974 7.247 3.705 1.00 2.01 H new ATOM 0 HZ3 LYS A 28 15.920 6.606 5.276 1.00 2.01 H new ATOM 485 N VAL A 29 11.870 1.789 0.113 1.00 54.23 N ATOM 486 CA VAL A 29 10.775 0.977 -0.433 1.00 72.53 C ATOM 487 C VAL A 29 10.868 -0.487 0.026 1.00 73.31 C ATOM 488 O VAL A 29 11.903 -1.139 -0.151 1.00 42.11 O ATOM 489 CB VAL A 29 10.781 1.007 -1.986 1.00 74.13 C ATOM 490 CG1 VAL A 29 9.569 0.269 -2.557 1.00 23.13 C ATOM 491 CG2 VAL A 29 10.841 2.442 -2.505 1.00 74.42 C ATOM 0 H VAL A 29 12.761 1.664 -0.367 1.00 54.23 H new ATOM 0 HA VAL A 29 9.849 1.412 -0.056 1.00 72.53 H new ATOM 0 HB VAL A 29 11.678 0.488 -2.326 1.00 74.13 H new ATOM 0 HG11 VAL A 29 9.600 0.307 -3.646 1.00 23.13 H new ATOM 0 HG12 VAL A 29 9.588 -0.770 -2.229 1.00 23.13 H new ATOM 0 HG13 VAL A 29 8.654 0.744 -2.203 1.00 23.13 H new ATOM 0 HG21 VAL A 29 10.844 2.435 -3.595 1.00 74.42 H new ATOM 0 HG22 VAL A 29 9.972 2.995 -2.148 1.00 74.42 H new ATOM 0 HG23 VAL A 29 11.750 2.922 -2.143 1.00 74.42 H new ATOM 501 N ARG A 30 9.789 -1.001 0.616 1.00 55.33 N ATOM 502 CA ARG A 30 9.704 -2.425 0.964 1.00 22.24 C ATOM 503 C ARG A 30 8.613 -3.128 0.144 1.00 31.12 C ATOM 504 O ARG A 30 7.428 -2.993 0.434 1.00 2.11 O ATOM 505 CB ARG A 30 9.416 -2.627 2.458 1.00 44.12 C ATOM 506 CG ARG A 30 9.429 -4.099 2.854 1.00 4.50 C ATOM 507 CD ARG A 30 9.275 -4.306 4.353 1.00 72.43 C ATOM 508 NE ARG A 30 9.325 -5.725 4.705 1.00 0.21 N ATOM 509 CZ ARG A 30 10.019 -6.213 5.698 1.00 3.21 C ATOM 510 NH1 ARG A 30 10.758 -5.439 6.425 1.00 23.22 N ATOM 511 NH2 ARG A 30 9.971 -7.477 5.956 1.00 43.33 N ATOM 0 H ARG A 30 8.962 -0.457 0.864 1.00 55.33 H new ATOM 0 HA ARG A 30 10.674 -2.864 0.731 1.00 22.24 H new ATOM 0 HB2 ARG A 30 10.159 -2.088 3.045 1.00 44.12 H new ATOM 0 HB3 ARG A 30 8.445 -2.196 2.700 1.00 44.12 H new ATOM 0 HG2 ARG A 30 8.623 -4.618 2.335 1.00 4.50 H new ATOM 0 HG3 ARG A 30 10.364 -4.552 2.523 1.00 4.50 H new ATOM 0 HD2 ARG A 30 10.066 -3.771 4.879 1.00 72.43 H new ATOM 0 HD3 ARG A 30 8.328 -3.881 4.685 1.00 72.43 H new ATOM 0 HE ARG A 30 8.782 -6.376 4.138 1.00 0.21 H new ATOM 0 HH11 ARG A 30 10.802 -4.440 6.224 1.00 23.22 H new ATOM 0 HH12 ARG A 30 11.297 -5.828 7.199 1.00 23.22 H new ATOM 0 HH21 ARG A 30 9.392 -8.092 5.385 1.00 43.33 H new ATOM 0 HH22 ARG A 30 10.512 -7.860 6.731 1.00 43.33 H new ATOM 525 N THR A 31 9.017 -3.879 -0.871 1.00 45.05 N ATOM 526 CA THR A 31 8.061 -4.593 -1.730 1.00 12.23 C ATOM 527 C THR A 31 7.735 -5.986 -1.178 1.00 5.22 C ATOM 528 O THR A 31 8.494 -6.939 -1.369 1.00 54.43 O ATOM 529 CB THR A 31 8.594 -4.725 -3.176 1.00 52.44 C ATOM 530 OG1 THR A 31 9.832 -5.459 -3.191 1.00 1.41 O ATOM 531 CG2 THR A 31 8.809 -3.348 -3.801 1.00 3.41 C ATOM 0 H THR A 31 9.995 -4.014 -1.126 1.00 45.05 H new ATOM 0 HA THR A 31 7.147 -3.999 -1.741 1.00 12.23 H new ATOM 0 HB THR A 31 7.850 -5.266 -3.760 1.00 52.44 H new ATOM 0 HG1 THR A 31 9.780 -6.201 -2.553 1.00 1.41 H new ATOM 0 HG21 THR A 31 9.184 -3.464 -4.818 1.00 3.41 H new ATOM 0 HG22 THR A 31 7.863 -2.807 -3.823 1.00 3.41 H new ATOM 0 HG23 THR A 31 9.533 -2.789 -3.209 1.00 3.41 H new ATOM 539 N VAL A 32 6.601 -6.101 -0.490 1.00 50.00 N ATOM 540 CA VAL A 32 6.189 -7.367 0.125 1.00 22.51 C ATOM 541 C VAL A 32 5.661 -8.365 -0.920 1.00 10.32 C ATOM 542 O VAL A 32 4.844 -8.017 -1.772 1.00 21.24 O ATOM 543 CB VAL A 32 5.108 -7.135 1.212 1.00 43.14 C ATOM 544 CG1 VAL A 32 4.654 -8.457 1.829 1.00 3.14 C ATOM 545 CG2 VAL A 32 5.630 -6.186 2.289 1.00 13.51 C ATOM 0 H VAL A 32 5.947 -5.332 -0.343 1.00 50.00 H new ATOM 0 HA VAL A 32 7.078 -7.793 0.590 1.00 22.51 H new ATOM 0 HB VAL A 32 4.242 -6.675 0.736 1.00 43.14 H new ATOM 0 HG11 VAL A 32 3.896 -8.263 2.588 1.00 3.14 H new ATOM 0 HG12 VAL A 32 4.235 -9.096 1.052 1.00 3.14 H new ATOM 0 HG13 VAL A 32 5.507 -8.956 2.288 1.00 3.14 H new ATOM 0 HG21 VAL A 32 4.859 -6.034 3.044 1.00 13.51 H new ATOM 0 HG22 VAL A 32 6.515 -6.617 2.756 1.00 13.51 H new ATOM 0 HG23 VAL A 32 5.889 -5.229 1.836 1.00 13.51 H new ATOM 555 N ARG A 33 6.131 -9.609 -0.829 1.00 72.53 N ATOM 556 CA ARG A 33 5.748 -10.674 -1.773 1.00 60.04 C ATOM 557 C ARG A 33 4.897 -11.768 -1.100 1.00 61.14 C ATOM 558 O ARG A 33 4.136 -12.472 -1.767 1.00 52.23 O ATOM 559 CB ARG A 33 7.020 -11.299 -2.371 1.00 44.41 C ATOM 560 CG ARG A 33 7.988 -11.801 -1.304 1.00 71.32 C ATOM 561 CD ARG A 33 9.316 -12.277 -1.877 1.00 73.33 C ATOM 562 NE ARG A 33 10.292 -12.499 -0.813 1.00 3.41 N ATOM 563 CZ ARG A 33 11.312 -13.304 -0.893 1.00 43.31 C ATOM 564 NH1 ARG A 33 11.533 -13.998 -1.960 1.00 32.50 N ATOM 565 NH2 ARG A 33 12.107 -13.414 0.115 1.00 23.10 N ATOM 0 H ARG A 33 6.784 -9.912 -0.106 1.00 72.53 H new ATOM 0 HA ARG A 33 5.139 -10.225 -2.558 1.00 60.04 H new ATOM 0 HB2 ARG A 33 6.741 -12.128 -3.021 1.00 44.41 H new ATOM 0 HB3 ARG A 33 7.524 -10.560 -2.994 1.00 44.41 H new ATOM 0 HG2 ARG A 33 8.175 -11.002 -0.587 1.00 71.32 H new ATOM 0 HG3 ARG A 33 7.522 -12.619 -0.755 1.00 71.32 H new ATOM 0 HD2 ARG A 33 9.165 -13.200 -2.437 1.00 73.33 H new ATOM 0 HD3 ARG A 33 9.700 -11.537 -2.580 1.00 73.33 H new ATOM 0 HE ARG A 33 10.165 -11.984 0.058 1.00 3.41 H new ATOM 0 HH11 ARG A 33 10.903 -13.920 -2.758 1.00 32.50 H new ATOM 0 HH12 ARG A 33 12.338 -14.623 -2.004 1.00 32.50 H new ATOM 0 HH21 ARG A 33 11.933 -12.874 0.963 1.00 23.10 H new ATOM 0 HH22 ARG A 33 12.910 -14.041 0.065 1.00 23.10 H new ATOM 579 N SER A 34 5.028 -11.914 0.221 1.00 63.23 N ATOM 580 CA SER A 34 4.340 -12.989 0.958 1.00 23.13 C ATOM 581 C SER A 34 4.018 -12.570 2.405 1.00 22.14 C ATOM 582 O SER A 34 4.666 -11.677 2.951 1.00 51.40 O ATOM 583 CB SER A 34 5.209 -14.259 0.974 1.00 15.24 C ATOM 584 OG SER A 34 5.443 -14.752 -0.341 1.00 40.31 O ATOM 0 H SER A 34 5.602 -11.306 0.805 1.00 63.23 H new ATOM 0 HA SER A 34 3.400 -13.190 0.444 1.00 23.13 H new ATOM 0 HB2 SER A 34 6.162 -14.042 1.457 1.00 15.24 H new ATOM 0 HB3 SER A 34 4.718 -15.029 1.570 1.00 15.24 H new ATOM 0 HG SER A 34 5.999 -15.558 -0.294 1.00 40.31 H new ATOM 590 N PRO A 35 3.008 -13.215 3.043 1.00 41.03 N ATOM 591 CA PRO A 35 2.606 -12.916 4.435 1.00 41.30 C ATOM 592 C PRO A 35 3.793 -12.790 5.412 1.00 32.50 C ATOM 593 O PRO A 35 3.888 -11.809 6.150 1.00 21.13 O ATOM 594 CB PRO A 35 1.695 -14.102 4.823 1.00 14.03 C ATOM 595 CG PRO A 35 1.722 -15.052 3.661 1.00 72.42 C ATOM 596 CD PRO A 35 2.151 -14.257 2.459 1.00 42.43 C ATOM 0 HA PRO A 35 2.113 -11.946 4.497 1.00 41.30 H new ATOM 0 HB2 PRO A 35 2.054 -14.587 5.730 1.00 14.03 H new ATOM 0 HB3 PRO A 35 0.679 -13.762 5.024 1.00 14.03 H new ATOM 0 HG2 PRO A 35 2.414 -15.873 3.849 1.00 72.42 H new ATOM 0 HG3 PRO A 35 0.739 -15.495 3.501 1.00 72.42 H new ATOM 0 HD2 PRO A 35 2.694 -14.871 1.741 1.00 42.43 H new ATOM 0 HD3 PRO A 35 1.298 -13.830 1.932 1.00 42.43 H new ATOM 604 N GLN A 36 4.690 -13.780 5.416 1.00 11.01 N ATOM 605 CA GLN A 36 5.883 -13.746 6.280 1.00 33.21 C ATOM 606 C GLN A 36 6.698 -12.455 6.089 1.00 42.32 C ATOM 607 O GLN A 36 7.175 -11.866 7.056 1.00 72.12 O ATOM 608 CB GLN A 36 6.777 -14.966 6.011 1.00 52.04 C ATOM 609 CG GLN A 36 7.191 -15.119 4.552 1.00 73.41 C ATOM 610 CD GLN A 36 8.200 -16.234 4.341 1.00 11.41 C ATOM 611 OE1 GLN A 36 7.837 -17.384 4.116 1.00 35.43 O ATOM 612 NE2 GLN A 36 9.473 -15.899 4.398 1.00 60.40 N ATOM 0 H GLN A 36 4.617 -14.614 4.834 1.00 11.01 H new ATOM 0 HA GLN A 36 5.531 -13.771 7.311 1.00 33.21 H new ATOM 0 HB2 GLN A 36 7.673 -14.890 6.627 1.00 52.04 H new ATOM 0 HB3 GLN A 36 6.250 -15.867 6.325 1.00 52.04 H new ATOM 0 HG2 GLN A 36 6.306 -15.316 3.947 1.00 73.41 H new ATOM 0 HG3 GLN A 36 7.616 -14.179 4.199 1.00 73.41 H new ATOM 0 HE21 GLN A 36 9.738 -14.932 4.587 1.00 60.40 H new ATOM 0 HE22 GLN A 36 10.193 -16.606 4.253 1.00 60.40 H new ATOM 621 N GLU A 37 6.839 -12.017 4.837 1.00 13.24 N ATOM 622 CA GLU A 37 7.591 -10.797 4.517 1.00 44.21 C ATOM 623 C GLU A 37 6.921 -9.562 5.145 1.00 5.10 C ATOM 624 O GLU A 37 7.592 -8.612 5.554 1.00 70.55 O ATOM 625 CB GLU A 37 7.690 -10.620 2.994 1.00 21.50 C ATOM 626 CG GLU A 37 8.180 -11.861 2.251 1.00 5.14 C ATOM 627 CD GLU A 37 9.606 -12.262 2.604 1.00 65.24 C ATOM 628 OE1 GLU A 37 10.549 -11.752 1.966 1.00 73.13 O ATOM 629 OE2 GLU A 37 9.787 -13.109 3.505 1.00 41.13 O ATOM 0 H GLU A 37 6.442 -12.489 4.024 1.00 13.24 H new ATOM 0 HA GLU A 37 8.594 -10.896 4.932 1.00 44.21 H new ATOM 0 HB2 GLU A 37 6.710 -10.342 2.607 1.00 21.50 H new ATOM 0 HB3 GLU A 37 8.364 -9.791 2.779 1.00 21.50 H new ATOM 0 HG2 GLU A 37 7.512 -12.694 2.473 1.00 5.14 H new ATOM 0 HG3 GLU A 37 8.118 -11.679 1.178 1.00 5.14 H new ATOM 636 N LEU A 38 5.590 -9.590 5.211 1.00 2.51 N ATOM 637 CA LEU A 38 4.817 -8.529 5.864 1.00 53.01 C ATOM 638 C LEU A 38 4.992 -8.595 7.389 1.00 1.13 C ATOM 639 O LEU A 38 5.358 -7.612 8.026 1.00 5.42 O ATOM 640 CB LEU A 38 3.330 -8.656 5.500 1.00 21.53 C ATOM 641 CG LEU A 38 2.409 -7.580 6.098 1.00 11.34 C ATOM 642 CD1 LEU A 38 2.754 -6.201 5.541 1.00 45.15 C ATOM 643 CD2 LEU A 38 0.943 -7.924 5.837 1.00 55.21 C ATOM 0 H LEU A 38 5.020 -10.340 4.818 1.00 2.51 H new ATOM 0 HA LEU A 38 5.188 -7.566 5.512 1.00 53.01 H new ATOM 0 HB2 LEU A 38 3.236 -8.628 4.414 1.00 21.53 H new ATOM 0 HB3 LEU A 38 2.976 -9.634 5.825 1.00 21.53 H new ATOM 0 HG LEU A 38 2.566 -7.555 7.176 1.00 11.34 H new ATOM 0 HD11 LEU A 38 2.090 -5.455 5.978 1.00 45.15 H new ATOM 0 HD12 LEU A 38 3.787 -5.956 5.789 1.00 45.15 H new ATOM 0 HD13 LEU A 38 2.632 -6.205 4.458 1.00 45.15 H new ATOM 0 HD21 LEU A 38 0.306 -7.151 6.267 1.00 55.21 H new ATOM 0 HD22 LEU A 38 0.768 -7.981 4.763 1.00 55.21 H new ATOM 0 HD23 LEU A 38 0.708 -8.885 6.295 1.00 55.21 H new ATOM 655 N LYS A 39 4.741 -9.772 7.958 1.00 33.20 N ATOM 656 CA LYS A 39 4.916 -10.007 9.398 1.00 0.22 C ATOM 657 C LYS A 39 6.314 -9.571 9.866 1.00 33.33 C ATOM 658 O LYS A 39 6.473 -8.985 10.937 1.00 63.34 O ATOM 659 CB LYS A 39 4.696 -11.494 9.703 1.00 4.42 C ATOM 660 CG LYS A 39 4.838 -11.867 11.176 1.00 14.30 C ATOM 661 CD LYS A 39 4.628 -13.361 11.393 1.00 13.44 C ATOM 662 CE LYS A 39 4.753 -13.748 12.860 1.00 51.41 C ATOM 663 NZ LYS A 39 4.545 -15.205 13.058 1.00 0.34 N ATOM 0 H LYS A 39 4.412 -10.588 7.442 1.00 33.20 H new ATOM 0 HA LYS A 39 4.182 -9.410 9.939 1.00 0.22 H new ATOM 0 HB2 LYS A 39 3.700 -11.778 9.364 1.00 4.42 H new ATOM 0 HB3 LYS A 39 5.409 -12.080 9.123 1.00 4.42 H new ATOM 0 HG2 LYS A 39 5.828 -11.582 11.532 1.00 14.30 H new ATOM 0 HG3 LYS A 39 4.113 -11.306 11.767 1.00 14.30 H new ATOM 0 HD2 LYS A 39 3.642 -13.645 11.026 1.00 13.44 H new ATOM 0 HD3 LYS A 39 5.359 -13.919 10.808 1.00 13.44 H new ATOM 0 HE2 LYS A 39 5.739 -13.467 13.229 1.00 51.41 H new ATOM 0 HE3 LYS A 39 4.023 -13.192 13.448 1.00 51.41 H new ATOM 0 HZ1 LYS A 39 4.637 -15.435 14.068 1.00 0.34 H new ATOM 0 HZ2 LYS A 39 3.594 -15.468 12.728 1.00 0.34 H new ATOM 0 HZ3 LYS A 39 5.258 -15.734 12.516 1.00 0.34 H new ATOM 677 N ASP A 40 7.318 -9.851 9.039 1.00 43.21 N ATOM 678 CA ASP A 40 8.699 -9.456 9.318 1.00 33.25 C ATOM 679 C ASP A 40 8.837 -7.924 9.459 1.00 23.22 C ATOM 680 O ASP A 40 9.556 -7.440 10.335 1.00 22.20 O ATOM 681 CB ASP A 40 9.616 -9.987 8.210 1.00 12.22 C ATOM 682 CG ASP A 40 11.077 -9.640 8.433 1.00 63.12 C ATOM 683 OD1 ASP A 40 11.707 -10.239 9.327 1.00 11.44 O ATOM 684 OD2 ASP A 40 11.600 -8.771 7.710 1.00 34.13 O ATOM 0 H ASP A 40 7.200 -10.356 8.160 1.00 43.21 H new ATOM 0 HA ASP A 40 8.996 -9.892 10.272 1.00 33.25 H new ATOM 0 HB2 ASP A 40 9.511 -11.070 8.147 1.00 12.22 H new ATOM 0 HB3 ASP A 40 9.293 -9.579 7.252 1.00 12.22 H new ATOM 689 N SER A 41 8.132 -7.166 8.606 1.00 20.43 N ATOM 690 CA SER A 41 8.151 -5.692 8.683 1.00 62.22 C ATOM 691 C SER A 41 7.485 -5.211 9.973 1.00 23.24 C ATOM 692 O SER A 41 8.015 -4.349 10.670 1.00 23.21 O ATOM 693 CB SER A 41 7.445 -5.045 7.477 1.00 35.24 C ATOM 694 OG SER A 41 6.035 -5.150 7.568 1.00 22.24 O ATOM 0 H SER A 41 7.546 -7.542 7.861 1.00 20.43 H new ATOM 0 HA SER A 41 9.198 -5.387 8.674 1.00 62.22 H new ATOM 0 HB2 SER A 41 7.727 -3.994 7.413 1.00 35.24 H new ATOM 0 HB3 SER A 41 7.786 -5.523 6.558 1.00 35.24 H new ATOM 0 HG SER A 41 5.764 -6.074 7.388 1.00 22.24 H new ATOM 700 N ILE A 42 6.319 -5.780 10.288 1.00 10.24 N ATOM 701 CA ILE A 42 5.622 -5.478 11.544 1.00 21.34 C ATOM 702 C ILE A 42 6.542 -5.705 12.756 1.00 2.31 C ATOM 703 O ILE A 42 6.613 -4.867 13.656 1.00 14.33 O ATOM 704 CB ILE A 42 4.322 -6.328 11.695 1.00 43.33 C ATOM 705 CG1 ILE A 42 3.162 -5.708 10.888 1.00 33.32 C ATOM 706 CG2 ILE A 42 3.921 -6.487 13.163 1.00 71.02 C ATOM 707 CD1 ILE A 42 3.391 -5.655 9.390 1.00 52.12 C ATOM 0 H ILE A 42 5.836 -6.452 9.692 1.00 10.24 H new ATOM 0 HA ILE A 42 5.341 -4.425 11.510 1.00 21.34 H new ATOM 0 HB ILE A 42 4.535 -7.319 11.295 1.00 43.33 H new ATOM 0 HG12 ILE A 42 2.255 -6.280 11.083 1.00 33.32 H new ATOM 0 HG13 ILE A 42 2.985 -4.696 11.251 1.00 33.32 H new ATOM 0 HG21 ILE A 42 3.012 -7.084 13.229 1.00 71.02 H new ATOM 0 HG22 ILE A 42 4.723 -6.985 13.707 1.00 71.02 H new ATOM 0 HG23 ILE A 42 3.742 -5.504 13.600 1.00 71.02 H new ATOM 0 HD11 ILE A 42 2.525 -5.205 8.905 1.00 52.12 H new ATOM 0 HD12 ILE A 42 4.277 -5.057 9.178 1.00 52.12 H new ATOM 0 HD13 ILE A 42 3.536 -6.666 9.008 1.00 52.12 H new ATOM 719 N GLU A 43 7.259 -6.829 12.756 1.00 43.32 N ATOM 720 CA GLU A 43 8.234 -7.132 13.813 1.00 3.32 C ATOM 721 C GLU A 43 9.253 -5.996 13.994 1.00 13.32 C ATOM 722 O GLU A 43 9.703 -5.725 15.110 1.00 3.52 O ATOM 723 CB GLU A 43 8.968 -8.447 13.506 1.00 4.23 C ATOM 724 CG GLU A 43 8.134 -9.699 13.753 1.00 43.32 C ATOM 725 CD GLU A 43 7.683 -9.824 15.200 1.00 72.15 C ATOM 726 OE1 GLU A 43 8.543 -9.740 16.107 1.00 51.14 O ATOM 727 OE2 GLU A 43 6.472 -10.001 15.443 1.00 73.02 O ATOM 0 H GLU A 43 7.185 -7.548 12.036 1.00 43.32 H new ATOM 0 HA GLU A 43 7.679 -7.236 14.745 1.00 3.32 H new ATOM 0 HB2 GLU A 43 9.288 -8.437 12.464 1.00 4.23 H new ATOM 0 HB3 GLU A 43 9.870 -8.498 14.116 1.00 4.23 H new ATOM 0 HG2 GLU A 43 7.259 -9.682 13.103 1.00 43.32 H new ATOM 0 HG3 GLU A 43 8.717 -10.579 13.480 1.00 43.32 H new ATOM 734 N GLU A 44 9.613 -5.336 12.898 1.00 4.44 N ATOM 735 CA GLU A 44 10.551 -4.211 12.947 1.00 22.52 C ATOM 736 C GLU A 44 9.849 -2.919 13.395 1.00 72.55 C ATOM 737 O GLU A 44 10.280 -2.267 14.341 1.00 12.55 O ATOM 738 CB GLU A 44 11.209 -4.009 11.573 1.00 60.11 C ATOM 739 CG GLU A 44 12.014 -5.213 11.100 1.00 60.32 C ATOM 740 CD GLU A 44 12.665 -4.988 9.744 1.00 12.24 C ATOM 741 OE1 GLU A 44 13.806 -4.480 9.705 1.00 43.10 O ATOM 742 OE2 GLU A 44 12.045 -5.319 8.715 1.00 41.43 O ATOM 0 H GLU A 44 9.271 -5.558 11.963 1.00 4.44 H new ATOM 0 HA GLU A 44 11.322 -4.447 13.681 1.00 22.52 H new ATOM 0 HB2 GLU A 44 10.435 -3.788 10.838 1.00 60.11 H new ATOM 0 HB3 GLU A 44 11.864 -3.139 11.617 1.00 60.11 H new ATOM 0 HG2 GLU A 44 12.786 -5.441 11.836 1.00 60.32 H new ATOM 0 HG3 GLU A 44 11.360 -6.083 11.044 1.00 60.32 H new ATOM 749 N LEU A 45 8.749 -2.579 12.724 1.00 54.31 N ATOM 750 CA LEU A 45 8.009 -1.335 12.994 1.00 73.22 C ATOM 751 C LEU A 45 7.510 -1.248 14.448 1.00 14.35 C ATOM 752 O LEU A 45 7.533 -0.175 15.053 1.00 20.21 O ATOM 753 CB LEU A 45 6.821 -1.212 12.028 1.00 2.04 C ATOM 754 CG LEU A 45 7.189 -1.159 10.534 1.00 52.14 C ATOM 755 CD1 LEU A 45 5.934 -1.109 9.668 1.00 21.12 C ATOM 756 CD2 LEU A 45 8.093 0.038 10.242 1.00 15.10 C ATOM 0 H LEU A 45 8.344 -3.150 11.982 1.00 54.31 H new ATOM 0 HA LEU A 45 8.703 -0.509 12.840 1.00 73.22 H new ATOM 0 HB2 LEU A 45 6.153 -2.058 12.191 1.00 2.04 H new ATOM 0 HB3 LEU A 45 6.262 -0.311 12.279 1.00 2.04 H new ATOM 0 HG LEU A 45 7.736 -2.069 10.288 1.00 52.14 H new ATOM 0 HD11 LEU A 45 6.219 -1.072 8.617 1.00 21.12 H new ATOM 0 HD12 LEU A 45 5.331 -1.999 9.850 1.00 21.12 H new ATOM 0 HD13 LEU A 45 5.354 -0.221 9.918 1.00 21.12 H new ATOM 0 HD21 LEU A 45 8.341 0.056 9.181 1.00 15.10 H new ATOM 0 HD22 LEU A 45 7.575 0.959 10.510 1.00 15.10 H new ATOM 0 HD23 LEU A 45 9.009 -0.046 10.827 1.00 15.10 H new ATOM 768 N VAL A 46 7.057 -2.374 15.003 1.00 45.02 N ATOM 769 CA VAL A 46 6.547 -2.407 16.383 1.00 51.40 C ATOM 770 C VAL A 46 7.649 -2.069 17.407 1.00 40.20 C ATOM 771 O VAL A 46 7.366 -1.605 18.513 1.00 4.50 O ATOM 772 CB VAL A 46 5.926 -3.787 16.730 1.00 63.32 C ATOM 773 CG1 VAL A 46 6.994 -4.880 16.762 1.00 33.43 C ATOM 774 CG2 VAL A 46 5.157 -3.729 18.054 1.00 60.20 C ATOM 0 H VAL A 46 7.031 -3.274 14.524 1.00 45.02 H new ATOM 0 HA VAL A 46 5.769 -1.646 16.442 1.00 51.40 H new ATOM 0 HB VAL A 46 5.216 -4.039 15.943 1.00 63.32 H new ATOM 0 HG11 VAL A 46 6.530 -5.835 17.008 1.00 33.43 H new ATOM 0 HG12 VAL A 46 7.473 -4.950 15.785 1.00 33.43 H new ATOM 0 HG13 VAL A 46 7.742 -4.636 17.516 1.00 33.43 H new ATOM 0 HG21 VAL A 46 4.733 -4.709 18.272 1.00 60.20 H new ATOM 0 HG22 VAL A 46 5.836 -3.441 18.857 1.00 60.20 H new ATOM 0 HG23 VAL A 46 4.354 -2.996 17.977 1.00 60.20 H new ATOM 784 N LYS A 47 8.905 -2.310 17.031 1.00 22.24 N ATOM 785 CA LYS A 47 10.049 -1.985 17.893 1.00 71.55 C ATOM 786 C LYS A 47 10.655 -0.627 17.513 1.00 13.40 C ATOM 787 O LYS A 47 10.759 0.280 18.342 1.00 73.33 O ATOM 788 CB LYS A 47 11.128 -3.075 17.787 1.00 1.13 C ATOM 789 CG LYS A 47 10.673 -4.461 18.238 1.00 4.41 C ATOM 790 CD LYS A 47 10.204 -4.467 19.693 1.00 54.15 C ATOM 791 CE LYS A 47 10.029 -5.885 20.234 1.00 72.15 C ATOM 792 NZ LYS A 47 9.020 -6.676 19.478 1.00 62.33 N ATOM 0 H LYS A 47 9.159 -2.729 16.136 1.00 22.24 H new ATOM 0 HA LYS A 47 9.688 -1.933 18.920 1.00 71.55 H new ATOM 0 HB2 LYS A 47 11.465 -3.136 16.752 1.00 1.13 H new ATOM 0 HB3 LYS A 47 11.989 -2.776 18.385 1.00 1.13 H new ATOM 0 HG2 LYS A 47 9.862 -4.803 17.595 1.00 4.41 H new ATOM 0 HG3 LYS A 47 11.494 -5.168 18.119 1.00 4.41 H new ATOM 0 HD2 LYS A 47 10.926 -3.931 20.309 1.00 54.15 H new ATOM 0 HD3 LYS A 47 9.258 -3.930 19.771 1.00 54.15 H new ATOM 0 HE2 LYS A 47 10.988 -6.402 20.199 1.00 72.15 H new ATOM 0 HE3 LYS A 47 9.732 -5.834 21.282 1.00 72.15 H new ATOM 0 HZ1 LYS A 47 8.920 -7.616 19.911 1.00 62.33 H new ATOM 0 HZ2 LYS A 47 8.104 -6.184 19.503 1.00 62.33 H new ATOM 0 HZ3 LYS A 47 9.330 -6.781 18.491 1.00 62.33 H new ATOM 806 N LYS A 48 11.066 -0.503 16.254 1.00 31.51 N ATOM 807 CA LYS A 48 11.689 0.719 15.740 1.00 1.32 C ATOM 808 C LYS A 48 11.043 1.143 14.408 1.00 21.53 C ATOM 809 O LYS A 48 11.385 0.614 13.347 1.00 74.42 O ATOM 810 CB LYS A 48 13.192 0.488 15.529 1.00 71.23 C ATOM 811 CG LYS A 48 13.913 -0.063 16.756 1.00 4.02 C ATOM 812 CD LYS A 48 15.343 -0.487 16.434 1.00 74.02 C ATOM 813 CE LYS A 48 16.034 -1.094 17.649 1.00 45.34 C ATOM 814 NZ LYS A 48 17.385 -1.615 17.318 1.00 32.52 N ATOM 0 H LYS A 48 10.978 -1.245 15.560 1.00 31.51 H new ATOM 0 HA LYS A 48 11.539 1.514 16.470 1.00 1.32 H new ATOM 0 HB2 LYS A 48 13.330 -0.204 14.698 1.00 71.23 H new ATOM 0 HB3 LYS A 48 13.657 1.430 15.240 1.00 71.23 H new ATOM 0 HG2 LYS A 48 13.927 0.695 17.539 1.00 4.02 H new ATOM 0 HG3 LYS A 48 13.361 -0.917 17.148 1.00 4.02 H new ATOM 0 HD2 LYS A 48 15.334 -1.212 15.620 1.00 74.02 H new ATOM 0 HD3 LYS A 48 15.910 0.377 16.086 1.00 74.02 H new ATOM 0 HE2 LYS A 48 16.118 -0.341 18.432 1.00 45.34 H new ATOM 0 HE3 LYS A 48 15.421 -1.902 18.048 1.00 45.34 H new ATOM 0 HZ1 LYS A 48 17.820 -2.019 18.172 1.00 32.52 H new ATOM 0 HZ2 LYS A 48 17.304 -2.352 16.589 1.00 32.52 H new ATOM 0 HZ3 LYS A 48 17.978 -0.839 16.961 1.00 32.52 H new ATOM 828 N TYR A 49 10.105 2.083 14.464 1.00 44.23 N ATOM 829 CA TYR A 49 9.411 2.549 13.257 1.00 70.43 C ATOM 830 C TYR A 49 10.203 3.663 12.541 1.00 4.01 C ATOM 831 O TYR A 49 10.396 4.757 13.073 1.00 74.32 O ATOM 832 CB TYR A 49 7.982 3.014 13.595 1.00 10.11 C ATOM 833 CG TYR A 49 7.895 4.133 14.622 1.00 23.52 C ATOM 834 CD1 TYR A 49 8.113 3.887 15.976 1.00 61.23 C ATOM 835 CD2 TYR A 49 7.582 5.435 14.238 1.00 44.13 C ATOM 836 CE1 TYR A 49 8.023 4.901 16.910 1.00 1.52 C ATOM 837 CE2 TYR A 49 7.487 6.452 15.169 1.00 62.53 C ATOM 838 CZ TYR A 49 7.709 6.180 16.501 1.00 11.05 C ATOM 839 OH TYR A 49 7.608 7.190 17.431 1.00 74.53 O ATOM 0 H TYR A 49 9.805 2.539 15.326 1.00 44.23 H new ATOM 0 HA TYR A 49 9.342 1.707 12.569 1.00 70.43 H new ATOM 0 HB2 TYR A 49 7.498 3.346 12.677 1.00 10.11 H new ATOM 0 HB3 TYR A 49 7.415 2.159 13.963 1.00 10.11 H new ATOM 0 HD1 TYR A 49 8.357 2.886 16.301 1.00 61.23 H new ATOM 0 HD2 TYR A 49 7.411 5.654 13.194 1.00 44.13 H new ATOM 0 HE1 TYR A 49 8.198 4.693 17.955 1.00 1.52 H new ATOM 0 HE2 TYR A 49 7.240 7.455 14.854 1.00 62.53 H new ATOM 0 HH TYR A 49 7.381 8.029 16.979 1.00 74.53 H new ATOM 849 N ASN A 50 10.663 3.363 11.327 1.00 2.15 N ATOM 850 CA ASN A 50 11.479 4.296 10.537 1.00 12.42 C ATOM 851 C ASN A 50 10.692 4.910 9.359 1.00 13.14 C ATOM 852 O ASN A 50 9.481 4.706 9.221 1.00 1.05 O ATOM 853 CB ASN A 50 12.730 3.566 10.021 1.00 24.22 C ATOM 854 CG ASN A 50 12.396 2.236 9.361 1.00 41.13 C ATOM 855 OD1 ASN A 50 11.325 2.067 8.784 1.00 12.34 O ATOM 856 ND2 ASN A 50 13.300 1.280 9.447 1.00 61.25 N ATOM 0 H ASN A 50 10.484 2.473 10.862 1.00 2.15 H new ATOM 0 HA ASN A 50 11.770 5.121 11.187 1.00 12.42 H new ATOM 0 HB2 ASN A 50 13.250 4.203 9.305 1.00 24.22 H new ATOM 0 HB3 ASN A 50 13.415 3.394 10.851 1.00 24.22 H new ATOM 0 HD21 ASN A 50 13.119 0.368 9.027 1.00 61.25 H new ATOM 0 HD22 ASN A 50 14.180 1.452 9.933 1.00 61.25 H new ATOM 863 N ALA A 51 11.396 5.659 8.509 1.00 34.33 N ATOM 864 CA ALA A 51 10.779 6.344 7.362 1.00 33.32 C ATOM 865 C ALA A 51 10.516 5.401 6.170 1.00 62.35 C ATOM 866 O ALA A 51 10.147 5.853 5.087 1.00 64.20 O ATOM 867 CB ALA A 51 11.658 7.510 6.926 1.00 1.14 C ATOM 0 H ALA A 51 12.401 5.810 8.591 1.00 34.33 H new ATOM 0 HA ALA A 51 9.807 6.711 7.691 1.00 33.32 H new ATOM 0 HB1 ALA A 51 11.198 8.015 6.077 1.00 1.14 H new ATOM 0 HB2 ALA A 51 11.765 8.214 7.752 1.00 1.14 H new ATOM 0 HB3 ALA A 51 12.641 7.137 6.638 1.00 1.14 H new ATOM 873 N THR A 52 10.689 4.099 6.371 1.00 42.42 N ATOM 874 CA THR A 52 10.458 3.115 5.300 1.00 70.24 C ATOM 875 C THR A 52 8.960 2.939 5.002 1.00 74.23 C ATOM 876 O THR A 52 8.129 2.889 5.918 1.00 62.14 O ATOM 877 CB THR A 52 11.065 1.734 5.660 1.00 14.02 C ATOM 878 OG1 THR A 52 12.473 1.869 5.914 1.00 13.10 O ATOM 879 CG2 THR A 52 10.852 0.718 4.539 1.00 33.33 C ATOM 0 H THR A 52 10.987 3.694 7.259 1.00 42.42 H new ATOM 0 HA THR A 52 10.953 3.506 4.411 1.00 70.24 H new ATOM 0 HB THR A 52 10.557 1.372 6.554 1.00 14.02 H new ATOM 0 HG1 THR A 52 12.850 0.994 6.142 1.00 13.10 H new ATOM 0 HG21 THR A 52 11.290 -0.238 4.826 1.00 33.33 H new ATOM 0 HG22 THR A 52 9.784 0.589 4.363 1.00 33.33 H new ATOM 0 HG23 THR A 52 11.330 1.077 3.627 1.00 33.33 H new ATOM 887 N ILE A 53 8.622 2.862 3.716 1.00 45.20 N ATOM 888 CA ILE A 53 7.243 2.627 3.274 1.00 54.24 C ATOM 889 C ILE A 53 7.066 1.176 2.794 1.00 52.52 C ATOM 890 O ILE A 53 7.894 0.651 2.042 1.00 61.11 O ATOM 891 CB ILE A 53 6.848 3.598 2.130 1.00 23.10 C ATOM 892 CG1 ILE A 53 7.019 5.061 2.583 1.00 63.24 C ATOM 893 CG2 ILE A 53 5.412 3.337 1.673 1.00 61.50 C ATOM 894 CD1 ILE A 53 6.679 6.080 1.514 1.00 30.53 C ATOM 0 H ILE A 53 9.291 2.960 2.952 1.00 45.20 H new ATOM 0 HA ILE A 53 6.591 2.807 4.129 1.00 54.24 H new ATOM 0 HB ILE A 53 7.511 3.421 1.283 1.00 23.10 H new ATOM 0 HG12 ILE A 53 6.387 5.238 3.453 1.00 63.24 H new ATOM 0 HG13 ILE A 53 8.050 5.214 2.902 1.00 63.24 H new ATOM 0 HG21 ILE A 53 5.154 4.028 0.870 1.00 61.50 H new ATOM 0 HG22 ILE A 53 5.326 2.312 1.311 1.00 61.50 H new ATOM 0 HG23 ILE A 53 4.731 3.484 2.511 1.00 61.50 H new ATOM 0 HD11 ILE A 53 6.825 7.085 1.910 1.00 30.53 H new ATOM 0 HD12 ILE A 53 7.328 5.932 0.651 1.00 30.53 H new ATOM 0 HD13 ILE A 53 5.639 5.956 1.211 1.00 30.53 H new ATOM 906 N VAL A 54 5.986 0.528 3.226 1.00 4.41 N ATOM 907 CA VAL A 54 5.738 -0.874 2.877 1.00 34.13 C ATOM 908 C VAL A 54 4.767 -1.014 1.687 1.00 11.14 C ATOM 909 O VAL A 54 3.565 -0.764 1.797 1.00 21.42 O ATOM 910 CB VAL A 54 5.223 -1.677 4.105 1.00 4.02 C ATOM 911 CG1 VAL A 54 4.039 -0.979 4.770 1.00 22.15 C ATOM 912 CG2 VAL A 54 4.858 -3.109 3.715 1.00 32.20 C ATOM 0 H VAL A 54 5.269 0.948 3.817 1.00 4.41 H new ATOM 0 HA VAL A 54 6.694 -1.296 2.568 1.00 34.13 H new ATOM 0 HB VAL A 54 6.036 -1.721 4.830 1.00 4.02 H new ATOM 0 HG11 VAL A 54 3.703 -1.566 5.625 1.00 22.15 H new ATOM 0 HG12 VAL A 54 4.343 0.012 5.108 1.00 22.15 H new ATOM 0 HG13 VAL A 54 3.224 -0.883 4.053 1.00 22.15 H new ATOM 0 HG21 VAL A 54 4.501 -3.646 4.594 1.00 32.20 H new ATOM 0 HG22 VAL A 54 4.074 -3.091 2.958 1.00 32.20 H new ATOM 0 HG23 VAL A 54 5.738 -3.613 3.315 1.00 32.20 H new ATOM 922 N VAL A 55 5.318 -1.400 0.540 1.00 43.31 N ATOM 923 CA VAL A 55 4.539 -1.619 -0.680 1.00 15.12 C ATOM 924 C VAL A 55 4.185 -3.107 -0.844 1.00 64.31 C ATOM 925 O VAL A 55 5.035 -3.926 -1.195 1.00 24.40 O ATOM 926 CB VAL A 55 5.325 -1.143 -1.929 1.00 11.21 C ATOM 927 CG1 VAL A 55 4.491 -1.310 -3.198 1.00 72.42 C ATOM 928 CG2 VAL A 55 5.781 0.307 -1.761 1.00 51.41 C ATOM 0 H VAL A 55 6.317 -1.571 0.427 1.00 43.31 H new ATOM 0 HA VAL A 55 3.620 -1.039 -0.591 1.00 15.12 H new ATOM 0 HB VAL A 55 6.212 -1.768 -2.029 1.00 11.21 H new ATOM 0 HG11 VAL A 55 5.066 -0.969 -4.059 1.00 72.42 H new ATOM 0 HG12 VAL A 55 4.233 -2.361 -3.328 1.00 72.42 H new ATOM 0 HG13 VAL A 55 3.579 -0.720 -3.114 1.00 72.42 H new ATOM 0 HG21 VAL A 55 6.330 0.621 -2.649 1.00 51.41 H new ATOM 0 HG22 VAL A 55 4.910 0.949 -1.627 1.00 51.41 H new ATOM 0 HG23 VAL A 55 6.428 0.386 -0.887 1.00 51.41 H new ATOM 938 N VAL A 56 2.930 -3.453 -0.582 1.00 15.24 N ATOM 939 CA VAL A 56 2.473 -4.841 -0.695 1.00 5.01 C ATOM 940 C VAL A 56 2.089 -5.190 -2.144 1.00 11.30 C ATOM 941 O VAL A 56 1.053 -4.750 -2.652 1.00 20.21 O ATOM 942 CB VAL A 56 1.266 -5.114 0.241 1.00 61.02 C ATOM 943 CG1 VAL A 56 0.819 -6.573 0.144 1.00 52.14 C ATOM 944 CG2 VAL A 56 1.606 -4.745 1.686 1.00 32.13 C ATOM 0 H VAL A 56 2.208 -2.795 -0.290 1.00 15.24 H new ATOM 0 HA VAL A 56 3.306 -5.475 -0.391 1.00 5.01 H new ATOM 0 HB VAL A 56 0.437 -4.485 -0.084 1.00 61.02 H new ATOM 0 HG11 VAL A 56 -0.028 -6.739 0.809 1.00 52.14 H new ATOM 0 HG12 VAL A 56 0.524 -6.796 -0.881 1.00 52.14 H new ATOM 0 HG13 VAL A 56 1.642 -7.226 0.435 1.00 52.14 H new ATOM 0 HG21 VAL A 56 0.745 -4.945 2.325 1.00 32.13 H new ATOM 0 HG22 VAL A 56 2.454 -5.340 2.024 1.00 32.13 H new ATOM 0 HG23 VAL A 56 1.861 -3.687 1.741 1.00 32.13 H new ATOM 954 N VAL A 57 2.936 -5.972 -2.808 1.00 21.14 N ATOM 955 CA VAL A 57 2.667 -6.421 -4.176 1.00 40.21 C ATOM 956 C VAL A 57 1.787 -7.678 -4.160 1.00 4.21 C ATOM 957 O VAL A 57 2.229 -8.757 -3.752 1.00 53.43 O ATOM 958 CB VAL A 57 3.981 -6.722 -4.941 1.00 44.24 C ATOM 959 CG1 VAL A 57 3.694 -7.090 -6.398 1.00 55.51 C ATOM 960 CG2 VAL A 57 4.939 -5.534 -4.854 1.00 43.22 C ATOM 0 H VAL A 57 3.817 -6.310 -2.422 1.00 21.14 H new ATOM 0 HA VAL A 57 2.144 -5.615 -4.690 1.00 40.21 H new ATOM 0 HB VAL A 57 4.461 -7.580 -4.469 1.00 44.24 H new ATOM 0 HG11 VAL A 57 4.632 -7.296 -6.913 1.00 55.51 H new ATOM 0 HG12 VAL A 57 3.059 -7.976 -6.431 1.00 55.51 H new ATOM 0 HG13 VAL A 57 3.186 -6.260 -6.889 1.00 55.51 H new ATOM 0 HG21 VAL A 57 5.855 -5.765 -5.397 1.00 43.22 H new ATOM 0 HG22 VAL A 57 4.469 -4.654 -5.293 1.00 43.22 H new ATOM 0 HG23 VAL A 57 5.177 -5.334 -3.809 1.00 43.22 H new ATOM 970 N VAL A 58 0.537 -7.541 -4.594 1.00 34.42 N ATOM 971 CA VAL A 58 -0.419 -8.648 -4.518 1.00 31.40 C ATOM 972 C VAL A 58 -0.674 -9.304 -5.886 1.00 42.51 C ATOM 973 O VAL A 58 -0.937 -8.633 -6.885 1.00 54.31 O ATOM 974 CB VAL A 58 -1.765 -8.178 -3.904 1.00 3.44 C ATOM 975 CG1 VAL A 58 -1.557 -7.691 -2.470 1.00 4.52 C ATOM 976 CG2 VAL A 58 -2.407 -7.083 -4.754 1.00 53.41 C ATOM 0 H VAL A 58 0.162 -6.683 -4.999 1.00 34.42 H new ATOM 0 HA VAL A 58 0.033 -9.399 -3.870 1.00 31.40 H new ATOM 0 HB VAL A 58 -2.444 -9.031 -3.888 1.00 3.44 H new ATOM 0 HG11 VAL A 58 -2.511 -7.365 -2.054 1.00 4.52 H new ATOM 0 HG12 VAL A 58 -1.156 -8.504 -1.864 1.00 4.52 H new ATOM 0 HG13 VAL A 58 -0.856 -6.856 -2.467 1.00 4.52 H new ATOM 0 HG21 VAL A 58 -3.348 -6.774 -4.299 1.00 53.41 H new ATOM 0 HG22 VAL A 58 -1.734 -6.227 -4.813 1.00 53.41 H new ATOM 0 HG23 VAL A 58 -2.597 -7.465 -5.757 1.00 53.41 H new ATOM 986 N ASP A 59 -0.571 -10.630 -5.916 1.00 53.45 N ATOM 987 CA ASP A 59 -0.936 -11.421 -7.097 1.00 52.14 C ATOM 988 C ASP A 59 -2.349 -12.007 -6.935 1.00 62.54 C ATOM 989 O ASP A 59 -3.053 -12.270 -7.915 1.00 22.30 O ATOM 990 CB ASP A 59 0.093 -12.542 -7.297 1.00 42.34 C ATOM 991 CG ASP A 59 -0.235 -13.441 -8.476 1.00 21.25 C ATOM 992 OD1 ASP A 59 0.044 -13.048 -9.632 1.00 54.13 O ATOM 993 OD2 ASP A 59 -0.768 -14.551 -8.257 1.00 1.53 O ATOM 0 H ASP A 59 -0.235 -11.187 -5.130 1.00 53.45 H new ATOM 0 HA ASP A 59 -0.937 -10.776 -7.976 1.00 52.14 H new ATOM 0 HB2 ASP A 59 1.079 -12.101 -7.446 1.00 42.34 H new ATOM 0 HB3 ASP A 59 0.147 -13.145 -6.391 1.00 42.34 H new ATOM 998 N ASP A 60 -2.761 -12.189 -5.683 1.00 31.24 N ATOM 999 CA ASP A 60 -4.055 -12.794 -5.357 1.00 70.44 C ATOM 1000 C ASP A 60 -4.927 -11.850 -4.504 1.00 11.41 C ATOM 1001 O ASP A 60 -4.416 -10.979 -3.795 1.00 35.42 O ATOM 1002 CB ASP A 60 -3.827 -14.122 -4.625 1.00 63.51 C ATOM 1003 CG ASP A 60 -5.117 -14.713 -4.092 1.00 52.53 C ATOM 1004 OD1 ASP A 60 -6.019 -15.004 -4.903 1.00 23.31 O ATOM 1005 OD2 ASP A 60 -5.240 -14.869 -2.863 1.00 54.20 O ATOM 0 H ASP A 60 -2.211 -11.923 -4.866 1.00 31.24 H new ATOM 0 HA ASP A 60 -4.592 -12.977 -6.288 1.00 70.44 H new ATOM 0 HB2 ASP A 60 -3.358 -14.833 -5.305 1.00 63.51 H new ATOM 0 HB3 ASP A 60 -3.133 -13.965 -3.799 1.00 63.51 H new ATOM 1010 N LYS A 61 -6.246 -12.051 -4.563 1.00 10.33 N ATOM 1011 CA LYS A 61 -7.200 -11.187 -3.856 1.00 12.23 C ATOM 1012 C LYS A 61 -7.296 -11.527 -2.357 1.00 72.44 C ATOM 1013 O LYS A 61 -7.427 -10.628 -1.524 1.00 20.55 O ATOM 1014 CB LYS A 61 -8.586 -11.273 -4.509 1.00 20.23 C ATOM 1015 CG LYS A 61 -9.177 -12.678 -4.543 1.00 24.13 C ATOM 1016 CD LYS A 61 -10.573 -12.683 -5.159 1.00 44.45 C ATOM 1017 CE LYS A 61 -11.164 -14.085 -5.217 1.00 24.51 C ATOM 1018 NZ LYS A 61 -12.554 -14.078 -5.745 1.00 31.05 N ATOM 0 H LYS A 61 -6.680 -12.806 -5.094 1.00 10.33 H new ATOM 0 HA LYS A 61 -6.827 -10.166 -3.934 1.00 12.23 H new ATOM 0 HB2 LYS A 61 -9.270 -10.617 -3.971 1.00 20.23 H new ATOM 0 HB3 LYS A 61 -8.518 -10.895 -5.529 1.00 20.23 H new ATOM 0 HG2 LYS A 61 -8.523 -13.335 -5.116 1.00 24.13 H new ATOM 0 HG3 LYS A 61 -9.224 -13.079 -3.530 1.00 24.13 H new ATOM 0 HD2 LYS A 61 -11.229 -12.036 -4.576 1.00 44.45 H new ATOM 0 HD3 LYS A 61 -10.527 -12.267 -6.165 1.00 44.45 H new ATOM 0 HE2 LYS A 61 -10.539 -14.717 -5.848 1.00 24.51 H new ATOM 0 HE3 LYS A 61 -11.157 -14.524 -4.219 1.00 24.51 H new ATOM 0 HZ1 LYS A 61 -12.921 -15.051 -5.769 1.00 31.05 H new ATOM 0 HZ2 LYS A 61 -13.156 -13.496 -5.129 1.00 31.05 H new ATOM 0 HZ3 LYS A 61 -12.558 -13.683 -6.707 1.00 31.05 H new ATOM 1032 N GLU A 62 -7.232 -12.817 -2.008 1.00 52.33 N ATOM 1033 CA GLU A 62 -7.271 -13.221 -0.595 1.00 45.43 C ATOM 1034 C GLU A 62 -6.027 -12.711 0.140 1.00 65.21 C ATOM 1035 O GLU A 62 -6.119 -12.204 1.256 1.00 10.11 O ATOM 1036 CB GLU A 62 -7.376 -14.745 -0.449 1.00 33.43 C ATOM 1037 CG GLU A 62 -7.377 -15.215 1.004 1.00 0.41 C ATOM 1038 CD GLU A 62 -7.458 -16.726 1.140 1.00 12.44 C ATOM 1039 OE1 GLU A 62 -6.464 -17.408 0.824 1.00 35.34 O ATOM 1040 OE2 GLU A 62 -8.508 -17.237 1.579 1.00 43.53 O ATOM 0 H GLU A 62 -7.154 -13.589 -2.671 1.00 52.33 H new ATOM 0 HA GLU A 62 -8.160 -12.776 -0.149 1.00 45.43 H new ATOM 0 HB2 GLU A 62 -8.290 -15.087 -0.935 1.00 33.43 H new ATOM 0 HB3 GLU A 62 -6.542 -15.211 -0.974 1.00 33.43 H new ATOM 0 HG2 GLU A 62 -6.471 -14.860 1.495 1.00 0.41 H new ATOM 0 HG3 GLU A 62 -8.221 -14.763 1.525 1.00 0.41 H new ATOM 1047 N TRP A 63 -4.864 -12.848 -0.494 1.00 61.40 N ATOM 1048 CA TRP A 63 -3.628 -12.258 0.032 1.00 64.33 C ATOM 1049 C TRP A 63 -3.798 -10.742 0.257 1.00 40.10 C ATOM 1050 O TRP A 63 -3.397 -10.209 1.294 1.00 74.21 O ATOM 1051 CB TRP A 63 -2.451 -12.546 -0.921 1.00 42.40 C ATOM 1052 CG TRP A 63 -1.228 -11.694 -0.690 1.00 1.44 C ATOM 1053 CD1 TRP A 63 -0.495 -11.052 -1.647 1.00 71.50 C ATOM 1054 CD2 TRP A 63 -0.603 -11.380 0.567 1.00 21.44 C ATOM 1055 NE1 TRP A 63 0.544 -10.364 -1.071 1.00 2.03 N ATOM 1056 CE2 TRP A 63 0.499 -10.545 0.286 1.00 0.30 C ATOM 1057 CE3 TRP A 63 -0.864 -11.719 1.901 1.00 3.30 C ATOM 1058 CZ2 TRP A 63 1.328 -10.047 1.286 1.00 14.33 C ATOM 1059 CZ3 TRP A 63 -0.040 -11.220 2.890 1.00 24.53 C ATOM 1060 CH2 TRP A 63 1.045 -10.391 2.579 1.00 73.54 C ATOM 0 H TRP A 63 -4.748 -13.359 -1.369 1.00 61.40 H new ATOM 0 HA TRP A 63 -3.408 -12.716 0.997 1.00 64.33 H new ATOM 0 HB2 TRP A 63 -2.170 -13.595 -0.822 1.00 42.40 H new ATOM 0 HB3 TRP A 63 -2.789 -12.402 -1.947 1.00 42.40 H new ATOM 0 HD1 TRP A 63 -0.703 -11.081 -2.706 1.00 71.50 H new ATOM 0 HE1 TRP A 63 1.237 -9.808 -1.572 1.00 2.03 H new ATOM 0 HE3 TRP A 63 -1.696 -12.360 2.152 1.00 3.30 H new ATOM 0 HZ2 TRP A 63 2.167 -9.410 1.049 1.00 14.33 H new ATOM 0 HZ3 TRP A 63 -0.236 -11.473 3.921 1.00 24.53 H new ATOM 0 HH2 TRP A 63 1.670 -10.016 3.376 1.00 73.54 H new ATOM 1071 N ALA A 64 -4.414 -10.062 -0.708 1.00 44.42 N ATOM 1072 CA ALA A 64 -4.664 -8.619 -0.602 1.00 73.13 C ATOM 1073 C ALA A 64 -5.449 -8.262 0.673 1.00 25.51 C ATOM 1074 O ALA A 64 -5.031 -7.398 1.451 1.00 60.21 O ATOM 1075 CB ALA A 64 -5.404 -8.122 -1.840 1.00 21.43 C ATOM 0 H ALA A 64 -4.751 -10.484 -1.574 1.00 44.42 H new ATOM 0 HA ALA A 64 -3.697 -8.121 -0.537 1.00 73.13 H new ATOM 0 HB1 ALA A 64 -5.584 -7.051 -1.751 1.00 21.43 H new ATOM 0 HB2 ALA A 64 -4.801 -8.316 -2.727 1.00 21.43 H new ATOM 0 HB3 ALA A 64 -6.357 -8.644 -1.928 1.00 21.43 H new ATOM 1081 N GLU A 65 -6.582 -8.932 0.898 1.00 11.35 N ATOM 1082 CA GLU A 65 -7.404 -8.656 2.082 1.00 5.04 C ATOM 1083 C GLU A 65 -6.715 -9.153 3.361 1.00 1.35 C ATOM 1084 O GLU A 65 -6.832 -8.533 4.418 1.00 11.22 O ATOM 1085 CB GLU A 65 -8.819 -9.264 1.934 1.00 2.42 C ATOM 1086 CG GLU A 65 -8.901 -10.795 2.007 1.00 23.13 C ATOM 1087 CD GLU A 65 -8.891 -11.349 3.431 1.00 62.45 C ATOM 1088 OE1 GLU A 65 -9.276 -10.617 4.369 1.00 32.43 O ATOM 1089 OE2 GLU A 65 -8.498 -12.520 3.617 1.00 21.11 O ATOM 0 H GLU A 65 -6.949 -9.661 0.286 1.00 11.35 H new ATOM 0 HA GLU A 65 -7.517 -7.575 2.165 1.00 5.04 H new ATOM 0 HB2 GLU A 65 -9.456 -8.848 2.714 1.00 2.42 H new ATOM 0 HB3 GLU A 65 -9.234 -8.942 0.979 1.00 2.42 H new ATOM 0 HG2 GLU A 65 -9.811 -11.124 1.506 1.00 23.13 H new ATOM 0 HG3 GLU A 65 -8.062 -11.221 1.456 1.00 23.13 H new ATOM 1096 N LYS A 66 -5.989 -10.266 3.247 1.00 52.41 N ATOM 1097 CA LYS A 66 -5.256 -10.850 4.375 1.00 24.11 C ATOM 1098 C LYS A 66 -4.232 -9.860 4.944 1.00 53.23 C ATOM 1099 O LYS A 66 -4.151 -9.667 6.160 1.00 65.15 O ATOM 1100 CB LYS A 66 -4.555 -12.139 3.927 1.00 53.25 C ATOM 1101 CG LYS A 66 -3.759 -12.841 5.025 1.00 1.24 C ATOM 1102 CD LYS A 66 -3.163 -14.154 4.526 1.00 22.44 C ATOM 1103 CE LYS A 66 -2.346 -14.861 5.600 1.00 75.44 C ATOM 1104 NZ LYS A 66 -1.826 -16.169 5.123 1.00 22.42 N ATOM 0 H LYS A 66 -5.892 -10.787 2.376 1.00 52.41 H new ATOM 0 HA LYS A 66 -5.971 -11.083 5.164 1.00 24.11 H new ATOM 0 HB2 LYS A 66 -5.304 -12.830 3.541 1.00 53.25 H new ATOM 0 HB3 LYS A 66 -3.883 -11.904 3.102 1.00 53.25 H new ATOM 0 HG2 LYS A 66 -2.960 -12.186 5.373 1.00 1.24 H new ATOM 0 HG3 LYS A 66 -4.407 -13.035 5.879 1.00 1.24 H new ATOM 0 HD2 LYS A 66 -3.966 -14.811 4.191 1.00 22.44 H new ATOM 0 HD3 LYS A 66 -2.530 -13.958 3.661 1.00 22.44 H new ATOM 0 HE2 LYS A 66 -1.513 -14.226 5.900 1.00 75.44 H new ATOM 0 HE3 LYS A 66 -2.964 -15.016 6.484 1.00 75.44 H new ATOM 0 HZ1 LYS A 66 -1.275 -16.621 5.881 1.00 22.42 H new ATOM 0 HZ2 LYS A 66 -2.622 -16.784 4.860 1.00 22.42 H new ATOM 0 HZ3 LYS A 66 -1.216 -16.019 4.294 1.00 22.42 H new ATOM 1118 N ALA A 67 -3.457 -9.233 4.058 1.00 42.43 N ATOM 1119 CA ALA A 67 -2.483 -8.215 4.461 1.00 31.00 C ATOM 1120 C ALA A 67 -3.157 -7.084 5.253 1.00 73.31 C ATOM 1121 O ALA A 67 -2.747 -6.757 6.367 1.00 35.25 O ATOM 1122 CB ALA A 67 -1.767 -7.653 3.235 1.00 54.24 C ATOM 0 H ALA A 67 -3.484 -9.412 3.054 1.00 42.43 H new ATOM 0 HA ALA A 67 -1.749 -8.689 5.112 1.00 31.00 H new ATOM 0 HB1 ALA A 67 -1.046 -6.898 3.549 1.00 54.24 H new ATOM 0 HB2 ALA A 67 -1.246 -8.458 2.717 1.00 54.24 H new ATOM 0 HB3 ALA A 67 -2.497 -7.201 2.563 1.00 54.24 H new ATOM 1128 N ILE A 68 -4.212 -6.512 4.677 1.00 4.24 N ATOM 1129 CA ILE A 68 -4.957 -5.423 5.323 1.00 62.03 C ATOM 1130 C ILE A 68 -5.622 -5.894 6.634 1.00 41.52 C ATOM 1131 O ILE A 68 -5.746 -5.135 7.595 1.00 4.42 O ATOM 1132 CB ILE A 68 -6.043 -4.852 4.371 1.00 42.12 C ATOM 1133 CG1 ILE A 68 -5.432 -4.493 3.000 1.00 31.23 C ATOM 1134 CG2 ILE A 68 -6.732 -3.635 4.994 1.00 5.52 C ATOM 1135 CD1 ILE A 68 -4.277 -3.513 3.074 1.00 42.44 C ATOM 0 H ILE A 68 -4.574 -6.782 3.763 1.00 4.24 H new ATOM 0 HA ILE A 68 -4.237 -4.639 5.558 1.00 62.03 H new ATOM 0 HB ILE A 68 -6.797 -5.624 4.217 1.00 42.12 H new ATOM 0 HG12 ILE A 68 -5.088 -5.408 2.517 1.00 31.23 H new ATOM 0 HG13 ILE A 68 -6.212 -4.072 2.366 1.00 31.23 H new ATOM 0 HG21 ILE A 68 -7.488 -3.254 4.308 1.00 5.52 H new ATOM 0 HG22 ILE A 68 -7.206 -3.926 5.931 1.00 5.52 H new ATOM 0 HG23 ILE A 68 -5.993 -2.858 5.187 1.00 5.52 H new ATOM 0 HD11 ILE A 68 -3.904 -3.313 2.069 1.00 42.44 H new ATOM 0 HD12 ILE A 68 -4.618 -2.582 3.526 1.00 42.44 H new ATOM 0 HD13 ILE A 68 -3.477 -3.939 3.680 1.00 42.44 H new ATOM 1147 N ARG A 69 -6.041 -7.158 6.664 1.00 64.42 N ATOM 1148 CA ARG A 69 -6.679 -7.740 7.852 1.00 63.13 C ATOM 1149 C ARG A 69 -5.644 -8.065 8.944 1.00 2.03 C ATOM 1150 O ARG A 69 -5.984 -8.189 10.122 1.00 51.13 O ATOM 1151 CB ARG A 69 -7.487 -8.989 7.456 1.00 42.33 C ATOM 1152 CG ARG A 69 -8.180 -9.685 8.626 1.00 20.32 C ATOM 1153 CD ARG A 69 -9.383 -10.514 8.180 1.00 61.14 C ATOM 1154 NE ARG A 69 -9.064 -11.468 7.115 1.00 13.44 N ATOM 1155 CZ ARG A 69 -9.384 -12.736 7.144 1.00 73.51 C ATOM 1156 NH1 ARG A 69 -9.979 -13.243 8.179 1.00 32.34 N ATOM 1157 NH2 ARG A 69 -9.111 -13.492 6.130 1.00 12.12 N ATOM 0 H ARG A 69 -5.951 -7.803 5.879 1.00 64.42 H new ATOM 0 HA ARG A 69 -7.364 -7.003 8.272 1.00 63.13 H new ATOM 0 HB2 ARG A 69 -8.239 -8.703 6.721 1.00 42.33 H new ATOM 0 HB3 ARG A 69 -6.820 -9.700 6.969 1.00 42.33 H new ATOM 0 HG2 ARG A 69 -7.465 -10.331 9.136 1.00 20.32 H new ATOM 0 HG3 ARG A 69 -8.505 -8.937 9.349 1.00 20.32 H new ATOM 0 HD2 ARG A 69 -9.780 -11.057 9.038 1.00 61.14 H new ATOM 0 HD3 ARG A 69 -10.170 -9.844 7.835 1.00 61.14 H new ATOM 0 HE ARG A 69 -8.560 -11.121 6.299 1.00 13.44 H new ATOM 0 HH11 ARG A 69 -10.201 -12.652 8.980 1.00 32.34 H new ATOM 0 HH12 ARG A 69 -10.224 -14.233 8.192 1.00 32.34 H new ATOM 0 HH21 ARG A 69 -8.647 -13.099 5.311 1.00 12.12 H new ATOM 0 HH22 ARG A 69 -9.359 -14.481 6.150 1.00 12.12 H new ATOM 1171 N PHE A 70 -4.382 -8.203 8.550 1.00 1.31 N ATOM 1172 CA PHE A 70 -3.285 -8.369 9.508 1.00 4.12 C ATOM 1173 C PHE A 70 -2.951 -7.023 10.182 1.00 70.32 C ATOM 1174 O PHE A 70 -2.701 -6.958 11.387 1.00 42.15 O ATOM 1175 CB PHE A 70 -2.047 -8.938 8.793 1.00 63.15 C ATOM 1176 CG PHE A 70 -0.903 -9.297 9.717 1.00 40.00 C ATOM 1177 CD1 PHE A 70 -0.907 -10.499 10.414 1.00 23.44 C ATOM 1178 CD2 PHE A 70 0.175 -8.437 9.885 1.00 54.20 C ATOM 1179 CE1 PHE A 70 0.139 -10.831 11.257 1.00 41.30 C ATOM 1180 CE2 PHE A 70 1.220 -8.767 10.727 1.00 55.32 C ATOM 1181 CZ PHE A 70 1.202 -9.964 11.412 1.00 41.53 C ATOM 0 H PHE A 70 -4.089 -8.204 7.573 1.00 1.31 H new ATOM 0 HA PHE A 70 -3.595 -9.070 10.283 1.00 4.12 H new ATOM 0 HB2 PHE A 70 -2.341 -9.827 8.235 1.00 63.15 H new ATOM 0 HB3 PHE A 70 -1.695 -8.207 8.065 1.00 63.15 H new ATOM 0 HD1 PHE A 70 -1.736 -11.182 10.297 1.00 23.44 H new ATOM 0 HD2 PHE A 70 0.197 -7.499 9.351 1.00 54.20 H new ATOM 0 HE1 PHE A 70 0.124 -11.768 11.794 1.00 41.30 H new ATOM 0 HE2 PHE A 70 2.051 -8.088 10.849 1.00 55.32 H new ATOM 0 HZ PHE A 70 2.019 -10.223 12.069 1.00 41.53 H new ATOM 1191 N VAL A 71 -2.982 -5.949 9.389 1.00 62.33 N ATOM 1192 CA VAL A 71 -2.653 -4.599 9.874 1.00 33.05 C ATOM 1193 C VAL A 71 -3.572 -4.142 11.026 1.00 44.13 C ATOM 1194 O VAL A 71 -3.128 -3.451 11.945 1.00 64.25 O ATOM 1195 CB VAL A 71 -2.720 -3.560 8.720 1.00 32.41 C ATOM 1196 CG1 VAL A 71 -2.365 -2.160 9.219 1.00 13.44 C ATOM 1197 CG2 VAL A 71 -1.801 -3.969 7.568 1.00 53.10 C ATOM 0 H VAL A 71 -3.233 -5.985 8.401 1.00 62.33 H new ATOM 0 HA VAL A 71 -1.635 -4.655 10.258 1.00 33.05 H new ATOM 0 HB VAL A 71 -3.745 -3.537 8.351 1.00 32.41 H new ATOM 0 HG11 VAL A 71 -2.420 -1.454 8.391 1.00 13.44 H new ATOM 0 HG12 VAL A 71 -3.068 -1.862 9.997 1.00 13.44 H new ATOM 0 HG13 VAL A 71 -1.354 -2.164 9.626 1.00 13.44 H new ATOM 0 HG21 VAL A 71 -1.864 -3.228 6.772 1.00 53.10 H new ATOM 0 HG22 VAL A 71 -0.773 -4.030 7.926 1.00 53.10 H new ATOM 0 HG23 VAL A 71 -2.110 -4.941 7.184 1.00 53.10 H new ATOM 1207 N LYS A 72 -4.847 -4.537 10.990 1.00 52.25 N ATOM 1208 CA LYS A 72 -5.809 -4.124 12.027 1.00 13.53 C ATOM 1209 C LYS A 72 -5.396 -4.628 13.423 1.00 12.24 C ATOM 1210 O LYS A 72 -5.862 -4.117 14.443 1.00 54.44 O ATOM 1211 CB LYS A 72 -7.229 -4.616 11.691 1.00 51.21 C ATOM 1212 CG LYS A 72 -7.432 -6.118 11.863 1.00 2.32 C ATOM 1213 CD LYS A 72 -8.883 -6.529 11.616 1.00 13.25 C ATOM 1214 CE LYS A 72 -9.103 -8.018 11.861 1.00 12.43 C ATOM 1215 NZ LYS A 72 -8.794 -8.409 13.263 1.00 3.32 N ATOM 0 H LYS A 72 -5.239 -5.136 10.264 1.00 52.25 H new ATOM 0 HA LYS A 72 -5.808 -3.034 12.046 1.00 13.53 H new ATOM 0 HB2 LYS A 72 -7.942 -4.090 12.326 1.00 51.21 H new ATOM 0 HB3 LYS A 72 -7.460 -4.346 10.660 1.00 51.21 H new ATOM 0 HG2 LYS A 72 -6.780 -6.654 11.173 1.00 2.32 H new ATOM 0 HG3 LYS A 72 -7.138 -6.411 12.871 1.00 2.32 H new ATOM 0 HD2 LYS A 72 -9.539 -5.953 12.268 1.00 13.25 H new ATOM 0 HD3 LYS A 72 -9.160 -6.285 10.590 1.00 13.25 H new ATOM 0 HE2 LYS A 72 -10.138 -8.273 11.634 1.00 12.43 H new ATOM 0 HE3 LYS A 72 -8.477 -8.593 11.179 1.00 12.43 H new ATOM 0 HZ1 LYS A 72 -9.190 -9.351 13.456 1.00 3.32 H new ATOM 0 HZ2 LYS A 72 -7.763 -8.433 13.398 1.00 3.32 H new ATOM 0 HZ3 LYS A 72 -9.212 -7.717 13.917 1.00 3.32 H new ATOM 1229 N SER A 73 -4.516 -5.628 13.460 1.00 52.34 N ATOM 1230 CA SER A 73 -4.048 -6.214 14.727 1.00 51.14 C ATOM 1231 C SER A 73 -2.990 -5.327 15.408 1.00 5.02 C ATOM 1232 O SER A 73 -2.657 -5.529 16.577 1.00 15.12 O ATOM 1233 CB SER A 73 -3.460 -7.609 14.473 1.00 11.20 C ATOM 1234 OG SER A 73 -3.227 -8.311 15.688 1.00 42.53 O ATOM 0 H SER A 73 -4.109 -6.054 12.628 1.00 52.34 H new ATOM 0 HA SER A 73 -4.907 -6.289 15.393 1.00 51.14 H new ATOM 0 HB2 SER A 73 -4.143 -8.183 13.846 1.00 11.20 H new ATOM 0 HB3 SER A 73 -2.524 -7.515 13.922 1.00 11.20 H new ATOM 0 HG SER A 73 -3.075 -7.669 16.413 1.00 42.53 H new ATOM 1240 N LEU A 74 -2.464 -4.349 14.670 1.00 10.43 N ATOM 1241 CA LEU A 74 -1.401 -3.467 15.175 1.00 52.44 C ATOM 1242 C LEU A 74 -1.942 -2.381 16.123 1.00 42.43 C ATOM 1243 O LEU A 74 -1.186 -1.799 16.906 1.00 12.15 O ATOM 1244 CB LEU A 74 -0.673 -2.807 13.994 1.00 45.20 C ATOM 1245 CG LEU A 74 -0.098 -3.782 12.954 1.00 31.34 C ATOM 1246 CD1 LEU A 74 0.558 -3.024 11.803 1.00 34.41 C ATOM 1247 CD2 LEU A 74 0.889 -4.746 13.606 1.00 71.30 C ATOM 0 H LEU A 74 -2.756 -4.144 13.715 1.00 10.43 H new ATOM 0 HA LEU A 74 -0.709 -4.084 15.748 1.00 52.44 H new ATOM 0 HB2 LEU A 74 -1.366 -2.132 13.492 1.00 45.20 H new ATOM 0 HB3 LEU A 74 0.141 -2.196 14.385 1.00 45.20 H new ATOM 0 HG LEU A 74 -0.921 -4.367 12.544 1.00 31.34 H new ATOM 0 HD11 LEU A 74 0.957 -3.735 11.080 1.00 34.41 H new ATOM 0 HD12 LEU A 74 -0.183 -2.389 11.317 1.00 34.41 H new ATOM 0 HD13 LEU A 74 1.368 -2.406 12.189 1.00 34.41 H new ATOM 0 HD21 LEU A 74 1.284 -5.427 12.852 1.00 71.30 H new ATOM 0 HD22 LEU A 74 1.709 -4.182 14.051 1.00 71.30 H new ATOM 0 HD23 LEU A 74 0.380 -5.318 14.381 1.00 71.30 H new ATOM 1259 N GLY A 75 -3.246 -2.111 16.041 1.00 41.32 N ATOM 1260 CA GLY A 75 -3.863 -1.074 16.867 1.00 74.11 C ATOM 1261 C GLY A 75 -3.379 0.336 16.525 1.00 51.34 C ATOM 1262 O GLY A 75 -3.190 1.171 17.414 1.00 4.13 O ATOM 0 H GLY A 75 -3.891 -2.593 15.415 1.00 41.32 H new ATOM 0 HA2 GLY A 75 -4.945 -1.119 16.747 1.00 74.11 H new ATOM 0 HA3 GLY A 75 -3.650 -1.280 17.916 1.00 74.11 H new ATOM 1266 N ALA A 76 -3.192 0.604 15.232 1.00 72.52 N ATOM 1267 CA ALA A 76 -2.680 1.901 14.765 1.00 20.43 C ATOM 1268 C ALA A 76 -3.404 2.372 13.494 1.00 41.14 C ATOM 1269 O ALA A 76 -4.012 1.572 12.778 1.00 65.32 O ATOM 1270 CB ALA A 76 -1.176 1.808 14.508 1.00 64.43 C ATOM 0 H ALA A 76 -3.387 -0.061 14.483 1.00 72.52 H new ATOM 0 HA ALA A 76 -2.870 2.636 15.547 1.00 20.43 H new ATOM 0 HB1 ALA A 76 -0.806 2.773 14.162 1.00 64.43 H new ATOM 0 HB2 ALA A 76 -0.666 1.533 15.431 1.00 64.43 H new ATOM 0 HB3 ALA A 76 -0.983 1.052 13.747 1.00 64.43 H new ATOM 1276 N GLN A 77 -3.343 3.675 13.222 1.00 52.33 N ATOM 1277 CA GLN A 77 -3.924 4.237 11.996 1.00 2.54 C ATOM 1278 C GLN A 77 -2.871 4.304 10.875 1.00 70.42 C ATOM 1279 O GLN A 77 -1.740 4.737 11.095 1.00 3.45 O ATOM 1280 CB GLN A 77 -4.507 5.638 12.263 1.00 23.32 C ATOM 1281 CG GLN A 77 -3.468 6.701 12.616 1.00 73.40 C ATOM 1282 CD GLN A 77 -4.081 8.074 12.839 1.00 32.24 C ATOM 1283 OE1 GLN A 77 -4.429 8.442 13.956 1.00 10.42 O ATOM 1284 NE2 GLN A 77 -4.232 8.837 11.776 1.00 73.54 N ATOM 0 H GLN A 77 -2.899 4.363 13.830 1.00 52.33 H new ATOM 0 HA GLN A 77 -4.732 3.580 11.673 1.00 2.54 H new ATOM 0 HB2 GLN A 77 -5.055 5.964 11.379 1.00 23.32 H new ATOM 0 HB3 GLN A 77 -5.228 5.568 13.078 1.00 23.32 H new ATOM 0 HG2 GLN A 77 -2.934 6.396 13.516 1.00 73.40 H new ATOM 0 HG3 GLN A 77 -2.732 6.763 11.815 1.00 73.40 H new ATOM 0 HE21 GLN A 77 -3.932 8.501 10.861 1.00 73.54 H new ATOM 0 HE22 GLN A 77 -4.649 9.763 11.868 1.00 73.54 H new ATOM 1293 N VAL A 78 -3.243 3.867 9.674 1.00 14.25 N ATOM 1294 CA VAL A 78 -2.320 3.864 8.530 1.00 1.51 C ATOM 1295 C VAL A 78 -3.003 4.367 7.249 1.00 70.43 C ATOM 1296 O VAL A 78 -4.206 4.177 7.058 1.00 42.44 O ATOM 1297 CB VAL A 78 -1.739 2.444 8.266 1.00 74.11 C ATOM 1298 CG1 VAL A 78 -0.869 1.973 9.431 1.00 45.01 C ATOM 1299 CG2 VAL A 78 -2.857 1.440 7.996 1.00 21.51 C ATOM 0 H VAL A 78 -4.175 3.510 9.463 1.00 14.25 H new ATOM 0 HA VAL A 78 -1.507 4.541 8.792 1.00 1.51 H new ATOM 0 HB VAL A 78 -1.109 2.507 7.379 1.00 74.11 H new ATOM 0 HG11 VAL A 78 -0.479 0.978 9.215 1.00 45.01 H new ATOM 0 HG12 VAL A 78 -0.039 2.666 9.569 1.00 45.01 H new ATOM 0 HG13 VAL A 78 -1.468 1.938 10.341 1.00 45.01 H new ATOM 0 HG21 VAL A 78 -2.426 0.455 7.814 1.00 21.51 H new ATOM 0 HG22 VAL A 78 -3.520 1.392 8.860 1.00 21.51 H new ATOM 0 HG23 VAL A 78 -3.425 1.754 7.120 1.00 21.51 H new ATOM 1309 N LEU A 79 -2.233 5.026 6.384 1.00 51.41 N ATOM 1310 CA LEU A 79 -2.725 5.441 5.063 1.00 43.01 C ATOM 1311 C LEU A 79 -2.513 4.319 4.040 1.00 3.13 C ATOM 1312 O LEU A 79 -1.382 3.904 3.793 1.00 22.13 O ATOM 1313 CB LEU A 79 -2.017 6.724 4.584 1.00 60.52 C ATOM 1314 CG LEU A 79 -2.488 8.037 5.234 1.00 33.25 C ATOM 1315 CD1 LEU A 79 -3.984 8.243 5.003 1.00 54.25 C ATOM 1316 CD2 LEU A 79 -2.152 8.068 6.724 1.00 44.21 C ATOM 0 H LEU A 79 -1.265 5.286 6.571 1.00 51.41 H new ATOM 0 HA LEU A 79 -3.791 5.649 5.153 1.00 43.01 H new ATOM 0 HB2 LEU A 79 -0.948 6.615 4.766 1.00 60.52 H new ATOM 0 HB3 LEU A 79 -2.150 6.808 3.505 1.00 60.52 H new ATOM 0 HG LEU A 79 -1.953 8.860 4.760 1.00 33.25 H new ATOM 0 HD11 LEU A 79 -4.299 9.176 5.470 1.00 54.25 H new ATOM 0 HD12 LEU A 79 -4.184 8.287 3.932 1.00 54.25 H new ATOM 0 HD13 LEU A 79 -4.538 7.413 5.442 1.00 54.25 H new ATOM 0 HD21 LEU A 79 -2.497 9.008 7.155 1.00 44.21 H new ATOM 0 HD22 LEU A 79 -2.646 7.236 7.226 1.00 44.21 H new ATOM 0 HD23 LEU A 79 -1.073 7.983 6.856 1.00 44.21 H new ATOM 1328 N ILE A 80 -3.597 3.826 3.453 1.00 31.41 N ATOM 1329 CA ILE A 80 -3.513 2.719 2.491 1.00 2.22 C ATOM 1330 C ILE A 80 -3.848 3.181 1.066 1.00 71.11 C ATOM 1331 O ILE A 80 -5.002 3.463 0.742 1.00 73.01 O ATOM 1332 CB ILE A 80 -4.444 1.550 2.900 1.00 21.02 C ATOM 1333 CG1 ILE A 80 -4.055 1.035 4.299 1.00 73.14 C ATOM 1334 CG2 ILE A 80 -4.384 0.419 1.867 1.00 42.33 C ATOM 1335 CD1 ILE A 80 -4.932 -0.086 4.811 1.00 61.51 C ATOM 0 H ILE A 80 -4.543 4.169 3.621 1.00 31.41 H new ATOM 0 HA ILE A 80 -2.482 2.366 2.502 1.00 2.22 H new ATOM 0 HB ILE A 80 -5.470 1.915 2.934 1.00 21.02 H new ATOM 0 HG12 ILE A 80 -3.021 0.690 4.273 1.00 73.14 H new ATOM 0 HG13 ILE A 80 -4.096 1.865 5.004 1.00 73.14 H new ATOM 0 HG21 ILE A 80 -5.046 -0.391 2.175 1.00 42.33 H new ATOM 0 HG22 ILE A 80 -4.701 0.797 0.895 1.00 42.33 H new ATOM 0 HG23 ILE A 80 -3.362 0.046 1.795 1.00 42.33 H new ATOM 0 HD11 ILE A 80 -4.592 -0.391 5.801 1.00 61.51 H new ATOM 0 HD12 ILE A 80 -5.964 0.259 4.872 1.00 61.51 H new ATOM 0 HD13 ILE A 80 -4.873 -0.935 4.130 1.00 61.51 H new ATOM 1347 N ILE A 81 -2.828 3.268 0.218 1.00 54.03 N ATOM 1348 CA ILE A 81 -3.017 3.648 -1.185 1.00 43.40 C ATOM 1349 C ILE A 81 -3.023 2.406 -2.086 1.00 71.04 C ATOM 1350 O ILE A 81 -2.032 1.678 -2.167 1.00 12.40 O ATOM 1351 CB ILE A 81 -1.913 4.624 -1.668 1.00 11.13 C ATOM 1352 CG1 ILE A 81 -1.822 5.846 -0.735 1.00 22.04 C ATOM 1353 CG2 ILE A 81 -2.183 5.064 -3.107 1.00 72.42 C ATOM 1354 CD1 ILE A 81 -0.760 6.849 -1.138 1.00 73.23 C ATOM 0 H ILE A 81 -1.859 3.081 0.475 1.00 54.03 H new ATOM 0 HA ILE A 81 -3.980 4.154 -1.252 1.00 43.40 H new ATOM 0 HB ILE A 81 -0.956 4.103 -1.640 1.00 11.13 H new ATOM 0 HG12 ILE A 81 -2.790 6.346 -0.712 1.00 22.04 H new ATOM 0 HG13 ILE A 81 -1.617 5.502 0.279 1.00 22.04 H new ATOM 0 HG21 ILE A 81 -1.399 5.749 -3.431 1.00 72.42 H new ATOM 0 HG22 ILE A 81 -2.194 4.190 -3.759 1.00 72.42 H new ATOM 0 HG23 ILE A 81 -3.149 5.567 -3.159 1.00 72.42 H new ATOM 0 HD11 ILE A 81 -0.758 7.680 -0.433 1.00 73.23 H new ATOM 0 HD12 ILE A 81 0.217 6.366 -1.133 1.00 73.23 H new ATOM 0 HD13 ILE A 81 -0.974 7.223 -2.139 1.00 73.23 H new ATOM 1366 N ILE A 82 -4.146 2.163 -2.754 1.00 45.14 N ATOM 1367 CA ILE A 82 -4.294 0.991 -3.621 1.00 71.04 C ATOM 1368 C ILE A 82 -4.225 1.376 -5.105 1.00 23.51 C ATOM 1369 O ILE A 82 -5.009 2.200 -5.585 1.00 33.13 O ATOM 1370 CB ILE A 82 -5.631 0.256 -3.350 1.00 13.25 C ATOM 1371 CG1 ILE A 82 -5.743 -0.119 -1.863 1.00 55.44 C ATOM 1372 CG2 ILE A 82 -5.748 -0.988 -4.230 1.00 32.12 C ATOM 1373 CD1 ILE A 82 -7.046 -0.795 -1.498 1.00 51.41 C ATOM 0 H ILE A 82 -4.971 2.762 -2.714 1.00 45.14 H new ATOM 0 HA ILE A 82 -3.464 0.324 -3.389 1.00 71.04 H new ATOM 0 HB ILE A 82 -6.452 0.928 -3.599 1.00 13.25 H new ATOM 0 HG12 ILE A 82 -4.917 -0.780 -1.602 1.00 55.44 H new ATOM 0 HG13 ILE A 82 -5.632 0.783 -1.261 1.00 55.44 H new ATOM 0 HG21 ILE A 82 -6.693 -1.491 -4.025 1.00 32.12 H new ATOM 0 HG22 ILE A 82 -5.712 -0.696 -5.280 1.00 32.12 H new ATOM 0 HG23 ILE A 82 -4.922 -1.666 -4.014 1.00 32.12 H new ATOM 0 HD11 ILE A 82 -7.049 -1.028 -0.433 1.00 51.41 H new ATOM 0 HD12 ILE A 82 -7.878 -0.129 -1.726 1.00 51.41 H new ATOM 0 HD13 ILE A 82 -7.151 -1.716 -2.071 1.00 51.41 H new ATOM 1385 N TYR A 83 -3.282 0.773 -5.821 1.00 3.10 N ATOM 1386 CA TYR A 83 -3.114 1.002 -7.258 1.00 3.44 C ATOM 1387 C TYR A 83 -3.633 -0.197 -8.064 1.00 21.50 C ATOM 1388 O TYR A 83 -3.080 -1.301 -7.984 1.00 43.22 O ATOM 1389 CB TYR A 83 -1.634 1.255 -7.578 1.00 30.43 C ATOM 1390 CG TYR A 83 -1.353 1.570 -9.039 1.00 15.15 C ATOM 1391 CD1 TYR A 83 -1.111 0.552 -9.962 1.00 43.34 C ATOM 1392 CD2 TYR A 83 -1.316 2.883 -9.495 1.00 51.54 C ATOM 1393 CE1 TYR A 83 -0.844 0.836 -11.286 1.00 61.20 C ATOM 1394 CE2 TYR A 83 -1.051 3.172 -10.818 1.00 65.54 C ATOM 1395 CZ TYR A 83 -0.815 2.147 -11.709 1.00 21.43 C ATOM 1396 OH TYR A 83 -0.547 2.435 -13.027 1.00 72.11 O ATOM 0 H TYR A 83 -2.612 0.113 -5.426 1.00 3.10 H new ATOM 0 HA TYR A 83 -3.695 1.880 -7.539 1.00 3.44 H new ATOM 0 HB2 TYR A 83 -1.279 2.084 -6.965 1.00 30.43 H new ATOM 0 HB3 TYR A 83 -1.057 0.376 -7.291 1.00 30.43 H new ATOM 0 HD1 TYR A 83 -1.133 -0.477 -9.634 1.00 43.34 H new ATOM 0 HD2 TYR A 83 -1.498 3.691 -8.802 1.00 51.54 H new ATOM 0 HE1 TYR A 83 -0.659 0.035 -11.987 1.00 61.20 H new ATOM 0 HE2 TYR A 83 -1.029 4.198 -11.154 1.00 65.54 H new ATOM 0 HH TYR A 83 -1.346 2.816 -13.448 1.00 72.11 H new ATOM 1406 N ASP A 84 -4.687 0.027 -8.844 1.00 62.32 N ATOM 1407 CA ASP A 84 -5.291 -1.039 -9.648 1.00 13.21 C ATOM 1408 C ASP A 84 -5.844 -0.474 -10.969 1.00 34.11 C ATOM 1409 O ASP A 84 -6.303 0.667 -11.031 1.00 65.41 O ATOM 1410 CB ASP A 84 -6.412 -1.731 -8.848 1.00 34.40 C ATOM 1411 CG ASP A 84 -6.811 -3.089 -9.416 1.00 22.13 C ATOM 1412 OD1 ASP A 84 -6.514 -3.367 -10.598 1.00 3.41 O ATOM 1413 OD2 ASP A 84 -7.407 -3.894 -8.671 1.00 3.44 O ATOM 0 H ASP A 84 -5.142 0.935 -8.938 1.00 62.32 H new ATOM 0 HA ASP A 84 -4.523 -1.774 -9.887 1.00 13.21 H new ATOM 0 HB2 ASP A 84 -6.086 -1.859 -7.816 1.00 34.40 H new ATOM 0 HB3 ASP A 84 -7.288 -1.082 -8.828 1.00 34.40 H new ATOM 1418 N GLN A 85 -5.794 -1.286 -12.021 1.00 42.10 N ATOM 1419 CA GLN A 85 -6.294 -0.890 -13.342 1.00 54.15 C ATOM 1420 C GLN A 85 -7.782 -1.245 -13.493 1.00 63.20 C ATOM 1421 O GLN A 85 -8.529 -0.559 -14.198 1.00 20.54 O ATOM 1422 CB GLN A 85 -5.472 -1.571 -14.442 1.00 10.14 C ATOM 1423 CG GLN A 85 -3.985 -1.237 -14.389 1.00 23.02 C ATOM 1424 CD GLN A 85 -3.191 -1.944 -15.474 1.00 64.21 C ATOM 1425 OE1 GLN A 85 -3.018 -1.427 -16.575 1.00 43.15 O ATOM 1426 NE2 GLN A 85 -2.706 -3.131 -15.177 1.00 72.22 N ATOM 0 H GLN A 85 -5.410 -2.230 -11.987 1.00 42.10 H new ATOM 0 HA GLN A 85 -6.190 0.191 -13.439 1.00 54.15 H new ATOM 0 HB2 GLN A 85 -5.596 -2.651 -14.361 1.00 10.14 H new ATOM 0 HB3 GLN A 85 -5.867 -1.277 -15.414 1.00 10.14 H new ATOM 0 HG2 GLN A 85 -3.854 -0.160 -14.491 1.00 23.02 H new ATOM 0 HG3 GLN A 85 -3.588 -1.515 -13.413 1.00 23.02 H new ATOM 0 HE21 GLN A 85 -2.868 -3.532 -14.253 1.00 72.22 H new ATOM 0 HE22 GLN A 85 -2.168 -3.650 -15.871 1.00 72.22 H new ATOM 1435 N ASP A 86 -8.203 -2.320 -12.831 1.00 72.01 N ATOM 1436 CA ASP A 86 -9.605 -2.748 -12.837 1.00 4.51 C ATOM 1437 C ASP A 86 -10.445 -1.894 -11.871 1.00 32.55 C ATOM 1438 O ASP A 86 -10.422 -2.112 -10.662 1.00 30.50 O ATOM 1439 CB ASP A 86 -9.703 -4.228 -12.438 1.00 72.41 C ATOM 1440 CG ASP A 86 -9.058 -5.163 -13.448 1.00 42.21 C ATOM 1441 OD1 ASP A 86 -7.831 -5.078 -13.651 1.00 75.52 O ATOM 1442 OD2 ASP A 86 -9.781 -6.005 -14.037 1.00 21.25 O ATOM 0 H ASP A 86 -7.589 -2.918 -12.278 1.00 72.01 H new ATOM 0 HA ASP A 86 -9.997 -2.616 -13.845 1.00 4.51 H new ATOM 0 HB2 ASP A 86 -9.228 -4.368 -11.467 1.00 72.41 H new ATOM 0 HB3 ASP A 86 -10.753 -4.498 -12.321 1.00 72.41 H new ATOM 1447 N GLN A 87 -11.193 -0.928 -12.408 1.00 32.32 N ATOM 1448 CA GLN A 87 -12.022 -0.044 -11.575 1.00 52.04 C ATOM 1449 C GLN A 87 -13.049 -0.850 -10.763 1.00 54.34 C ATOM 1450 O GLN A 87 -13.349 -0.522 -9.614 1.00 30.10 O ATOM 1451 CB GLN A 87 -12.745 0.996 -12.445 1.00 74.30 C ATOM 1452 CG GLN A 87 -11.805 1.881 -13.261 1.00 3.24 C ATOM 1453 CD GLN A 87 -12.542 2.921 -14.091 1.00 30.53 C ATOM 1454 OE1 GLN A 87 -13.605 3.402 -13.714 1.00 12.34 O ATOM 1455 NE2 GLN A 87 -11.985 3.276 -15.233 1.00 52.43 N ATOM 0 H GLN A 87 -11.244 -0.736 -13.408 1.00 32.32 H new ATOM 0 HA GLN A 87 -11.360 0.472 -10.879 1.00 52.04 H new ATOM 0 HB2 GLN A 87 -13.423 0.479 -13.124 1.00 74.30 H new ATOM 0 HB3 GLN A 87 -13.358 1.629 -11.803 1.00 74.30 H new ATOM 0 HG2 GLN A 87 -11.113 2.386 -12.587 1.00 3.24 H new ATOM 0 HG3 GLN A 87 -11.206 1.254 -13.922 1.00 3.24 H new ATOM 0 HE21 GLN A 87 -11.100 2.858 -15.520 1.00 52.43 H new ATOM 0 HE22 GLN A 87 -12.439 3.968 -15.829 1.00 52.43 H new ATOM 1464 N ASN A 88 -13.569 -1.916 -11.368 1.00 52.44 N ATOM 1465 CA ASN A 88 -14.544 -2.791 -10.706 1.00 43.52 C ATOM 1466 C ASN A 88 -13.929 -3.528 -9.500 1.00 4.41 C ATOM 1467 O ASN A 88 -14.584 -3.710 -8.472 1.00 72.51 O ATOM 1468 CB ASN A 88 -15.099 -3.798 -11.715 1.00 4.10 C ATOM 1469 CG ASN A 88 -15.875 -3.116 -12.828 1.00 3.24 C ATOM 1470 OD1 ASN A 88 -15.304 -2.677 -13.820 1.00 21.10 O ATOM 1471 ND2 ASN A 88 -17.183 -3.033 -12.679 1.00 21.44 N ATOM 0 H ASN A 88 -13.333 -2.198 -12.319 1.00 52.44 H new ATOM 0 HA ASN A 88 -15.353 -2.167 -10.327 1.00 43.52 H new ATOM 0 HB2 ASN A 88 -14.278 -4.372 -12.144 1.00 4.10 H new ATOM 0 HB3 ASN A 88 -15.749 -4.506 -11.201 1.00 4.10 H new ATOM 0 HD21 ASN A 88 -17.752 -2.593 -13.402 1.00 21.44 H new ATOM 0 HD22 ASN A 88 -17.626 -3.409 -11.840 1.00 21.44 H new ATOM 1478 N ARG A 89 -12.673 -3.953 -9.627 1.00 32.53 N ATOM 1479 CA ARG A 89 -11.971 -4.622 -8.524 1.00 15.41 C ATOM 1480 C ARG A 89 -11.526 -3.596 -7.467 1.00 25.53 C ATOM 1481 O ARG A 89 -11.723 -3.790 -6.266 1.00 30.04 O ATOM 1482 CB ARG A 89 -10.746 -5.385 -9.049 1.00 64.12 C ATOM 1483 CG ARG A 89 -10.139 -6.345 -8.027 1.00 60.41 C ATOM 1484 CD ARG A 89 -8.713 -6.752 -8.390 1.00 51.30 C ATOM 1485 NE ARG A 89 -8.604 -7.315 -9.742 1.00 13.22 N ATOM 1486 CZ ARG A 89 -7.674 -6.976 -10.600 1.00 22.24 C ATOM 1487 NH1 ARG A 89 -6.875 -5.998 -10.342 1.00 14.01 N ATOM 1488 NH2 ARG A 89 -7.582 -7.583 -11.737 1.00 11.05 N ATOM 0 H ARG A 89 -12.119 -3.848 -10.477 1.00 32.53 H new ATOM 0 HA ARG A 89 -12.660 -5.330 -8.064 1.00 15.41 H new ATOM 0 HB2 ARG A 89 -11.032 -5.947 -9.938 1.00 64.12 H new ATOM 0 HB3 ARG A 89 -9.986 -4.667 -9.357 1.00 64.12 H new ATOM 0 HG2 ARG A 89 -10.141 -5.874 -7.044 1.00 60.41 H new ATOM 0 HG3 ARG A 89 -10.762 -7.237 -7.955 1.00 60.41 H new ATOM 0 HD2 ARG A 89 -8.061 -5.882 -8.311 1.00 51.30 H new ATOM 0 HD3 ARG A 89 -8.355 -7.485 -7.667 1.00 51.30 H new ATOM 0 HE ARG A 89 -9.292 -8.010 -10.030 1.00 13.22 H new ATOM 0 HH11 ARG A 89 -6.965 -5.483 -9.466 1.00 14.01 H new ATOM 0 HH12 ARG A 89 -6.153 -5.739 -11.014 1.00 14.01 H new ATOM 0 HH21 ARG A 89 -8.236 -8.330 -11.970 1.00 11.05 H new ATOM 0 HH22 ARG A 89 -6.856 -7.315 -12.401 1.00 11.05 H new ATOM 1502 N LEU A 90 -10.929 -2.506 -7.942 1.00 71.11 N ATOM 1503 CA LEU A 90 -10.451 -1.411 -7.089 1.00 65.32 C ATOM 1504 C LEU A 90 -11.559 -0.880 -6.157 1.00 10.42 C ATOM 1505 O LEU A 90 -11.374 -0.794 -4.939 1.00 25.14 O ATOM 1506 CB LEU A 90 -9.913 -0.283 -7.984 1.00 14.30 C ATOM 1507 CG LEU A 90 -9.320 0.934 -7.255 1.00 23.31 C ATOM 1508 CD1 LEU A 90 -8.156 0.526 -6.354 1.00 70.52 C ATOM 1509 CD2 LEU A 90 -8.876 1.994 -8.263 1.00 33.13 C ATOM 0 H LEU A 90 -10.760 -2.353 -8.936 1.00 71.11 H new ATOM 0 HA LEU A 90 -9.656 -1.792 -6.448 1.00 65.32 H new ATOM 0 HB2 LEU A 90 -9.146 -0.699 -8.637 1.00 14.30 H new ATOM 0 HB3 LEU A 90 -10.724 0.063 -8.625 1.00 14.30 H new ATOM 0 HG LEU A 90 -10.098 1.360 -6.621 1.00 23.31 H new ATOM 0 HD11 LEU A 90 -7.758 1.408 -5.852 1.00 70.52 H new ATOM 0 HD12 LEU A 90 -8.506 -0.189 -5.609 1.00 70.52 H new ATOM 0 HD13 LEU A 90 -7.373 0.067 -6.957 1.00 70.52 H new ATOM 0 HD21 LEU A 90 -8.458 2.849 -7.732 1.00 33.13 H new ATOM 0 HD22 LEU A 90 -8.119 1.573 -8.924 1.00 33.13 H new ATOM 0 HD23 LEU A 90 -9.734 2.317 -8.853 1.00 33.13 H new ATOM 1521 N GLU A 91 -12.707 -0.525 -6.732 1.00 54.14 N ATOM 1522 CA GLU A 91 -13.849 -0.046 -5.943 1.00 44.12 C ATOM 1523 C GLU A 91 -14.372 -1.121 -4.976 1.00 44.33 C ATOM 1524 O GLU A 91 -14.788 -0.808 -3.862 1.00 54.43 O ATOM 1525 CB GLU A 91 -14.972 0.440 -6.870 1.00 33.04 C ATOM 1526 CG GLU A 91 -14.734 1.837 -7.440 1.00 42.23 C ATOM 1527 CD GLU A 91 -14.878 2.930 -6.385 1.00 15.45 C ATOM 1528 OE1 GLU A 91 -13.945 3.126 -5.579 1.00 70.21 O ATOM 1529 OE2 GLU A 91 -15.943 3.587 -6.341 1.00 44.22 O ATOM 0 H GLU A 91 -12.874 -0.559 -7.738 1.00 54.14 H new ATOM 0 HA GLU A 91 -13.502 0.791 -5.338 1.00 44.12 H new ATOM 0 HB2 GLU A 91 -15.082 -0.265 -7.694 1.00 33.04 H new ATOM 0 HB3 GLU A 91 -15.913 0.437 -6.320 1.00 33.04 H new ATOM 0 HG2 GLU A 91 -13.735 1.884 -7.873 1.00 42.23 H new ATOM 0 HG3 GLU A 91 -15.441 2.021 -8.249 1.00 42.23 H new ATOM 1536 N GLU A 92 -14.335 -2.384 -5.397 1.00 34.53 N ATOM 1537 CA GLU A 92 -14.755 -3.495 -4.536 1.00 33.52 C ATOM 1538 C GLU A 92 -13.864 -3.605 -3.287 1.00 11.13 C ATOM 1539 O GLU A 92 -14.325 -3.421 -2.158 1.00 41.15 O ATOM 1540 CB GLU A 92 -14.725 -4.819 -5.321 1.00 33.23 C ATOM 1541 CG GLU A 92 -14.941 -6.054 -4.450 1.00 52.43 C ATOM 1542 CD GLU A 92 -15.031 -7.343 -5.248 1.00 72.40 C ATOM 1543 OE1 GLU A 92 -13.980 -7.958 -5.527 1.00 73.24 O ATOM 1544 OE2 GLU A 92 -16.159 -7.752 -5.599 1.00 41.21 O ATOM 0 H GLU A 92 -14.020 -2.666 -6.325 1.00 34.53 H new ATOM 0 HA GLU A 92 -15.775 -3.294 -4.208 1.00 33.52 H new ATOM 0 HB2 GLU A 92 -15.494 -4.791 -6.093 1.00 33.23 H new ATOM 0 HB3 GLU A 92 -13.765 -4.908 -5.830 1.00 33.23 H new ATOM 0 HG2 GLU A 92 -14.122 -6.134 -3.735 1.00 52.43 H new ATOM 0 HG3 GLU A 92 -15.857 -5.927 -3.873 1.00 52.43 H new ATOM 1551 N PHE A 93 -12.582 -3.878 -3.509 1.00 22.21 N ATOM 1552 CA PHE A 93 -11.626 -4.105 -2.421 1.00 41.22 C ATOM 1553 C PHE A 93 -11.502 -2.889 -1.485 1.00 44.42 C ATOM 1554 O PHE A 93 -11.355 -3.043 -0.270 1.00 12.33 O ATOM 1555 CB PHE A 93 -10.258 -4.470 -3.013 1.00 22.22 C ATOM 1556 CG PHE A 93 -9.199 -4.780 -1.980 1.00 2.32 C ATOM 1557 CD1 PHE A 93 -9.417 -5.750 -1.013 1.00 24.12 C ATOM 1558 CD2 PHE A 93 -7.983 -4.107 -1.984 1.00 0.44 C ATOM 1559 CE1 PHE A 93 -8.449 -6.041 -0.073 1.00 35.44 C ATOM 1560 CE2 PHE A 93 -7.012 -4.394 -1.044 1.00 73.35 C ATOM 1561 CZ PHE A 93 -7.246 -5.362 -0.086 1.00 73.12 C ATOM 0 H PHE A 93 -12.174 -3.949 -4.441 1.00 22.21 H new ATOM 0 HA PHE A 93 -11.999 -4.930 -1.814 1.00 41.22 H new ATOM 0 HB2 PHE A 93 -10.376 -5.334 -3.666 1.00 22.22 H new ATOM 0 HB3 PHE A 93 -9.912 -3.645 -3.635 1.00 22.22 H new ATOM 0 HD1 PHE A 93 -10.356 -6.284 -0.995 1.00 24.12 H new ATOM 0 HD2 PHE A 93 -7.795 -3.350 -2.731 1.00 0.44 H new ATOM 0 HE1 PHE A 93 -8.632 -6.800 0.673 1.00 35.44 H new ATOM 0 HE2 PHE A 93 -6.072 -3.863 -1.058 1.00 73.35 H new ATOM 0 HZ PHE A 93 -6.490 -5.587 0.651 1.00 73.12 H new ATOM 1571 N SER A 94 -11.565 -1.683 -2.052 1.00 33.32 N ATOM 1572 CA SER A 94 -11.467 -0.446 -1.256 1.00 34.00 C ATOM 1573 C SER A 94 -12.521 -0.399 -0.141 1.00 41.44 C ATOM 1574 O SER A 94 -12.259 0.114 0.948 1.00 61.53 O ATOM 1575 CB SER A 94 -11.624 0.793 -2.145 1.00 44.32 C ATOM 1576 OG SER A 94 -12.942 0.892 -2.663 1.00 1.33 O ATOM 0 H SER A 94 -11.683 -1.531 -3.054 1.00 33.32 H new ATOM 0 HA SER A 94 -10.477 -0.446 -0.801 1.00 34.00 H new ATOM 0 HB2 SER A 94 -11.389 1.688 -1.570 1.00 44.32 H new ATOM 0 HB3 SER A 94 -10.910 0.746 -2.967 1.00 44.32 H new ATOM 0 HG SER A 94 -13.273 -0.002 -2.888 1.00 1.33 H new ATOM 1582 N ARG A 95 -13.711 -0.940 -0.413 1.00 40.33 N ATOM 1583 CA ARG A 95 -14.796 -0.952 0.576 1.00 75.51 C ATOM 1584 C ARG A 95 -14.440 -1.833 1.782 1.00 23.44 C ATOM 1585 O ARG A 95 -14.614 -1.428 2.935 1.00 24.40 O ATOM 1586 CB ARG A 95 -16.104 -1.441 -0.058 1.00 20.21 C ATOM 1587 CG ARG A 95 -16.539 -0.654 -1.293 1.00 1.54 C ATOM 1588 CD ARG A 95 -16.485 0.857 -1.064 1.00 5.24 C ATOM 1589 NE ARG A 95 -17.134 1.602 -2.141 1.00 65.33 N ATOM 1590 CZ ARG A 95 -16.507 2.215 -3.113 1.00 25.02 C ATOM 1591 NH1 ARG A 95 -15.217 2.151 -3.224 1.00 63.12 N ATOM 1592 NH2 ARG A 95 -17.187 2.878 -3.989 1.00 5.15 N ATOM 0 H ARG A 95 -13.949 -1.374 -1.305 1.00 40.33 H new ATOM 0 HA ARG A 95 -14.933 0.072 0.925 1.00 75.51 H new ATOM 0 HB2 ARG A 95 -15.991 -2.490 -0.332 1.00 20.21 H new ATOM 0 HB3 ARG A 95 -16.897 -1.390 0.688 1.00 20.21 H new ATOM 0 HG2 ARG A 95 -15.896 -0.916 -2.133 1.00 1.54 H new ATOM 0 HG3 ARG A 95 -17.554 -0.942 -1.566 1.00 1.54 H new ATOM 0 HD2 ARG A 95 -16.968 1.097 -0.117 1.00 5.24 H new ATOM 0 HD3 ARG A 95 -15.445 1.173 -0.981 1.00 5.24 H new ATOM 0 HE ARG A 95 -18.153 1.648 -2.135 1.00 65.33 H new ATOM 0 HH11 ARG A 95 -14.673 1.616 -2.547 1.00 63.12 H new ATOM 0 HH12 ARG A 95 -14.746 2.635 -3.988 1.00 63.12 H new ATOM 0 HH21 ARG A 95 -18.204 2.921 -3.920 1.00 5.15 H new ATOM 0 HH22 ARG A 95 -16.707 3.359 -4.750 1.00 5.15 H new ATOM 1606 N GLU A 96 -13.937 -3.038 1.511 1.00 41.34 N ATOM 1607 CA GLU A 96 -13.489 -3.951 2.573 1.00 35.14 C ATOM 1608 C GLU A 96 -12.370 -3.323 3.418 1.00 3.04 C ATOM 1609 O GLU A 96 -12.300 -3.539 4.627 1.00 53.03 O ATOM 1610 CB GLU A 96 -13.022 -5.293 1.974 1.00 61.02 C ATOM 1611 CG GLU A 96 -14.157 -6.277 1.681 1.00 10.32 C ATOM 1612 CD GLU A 96 -15.228 -5.717 0.753 1.00 22.54 C ATOM 1613 OE1 GLU A 96 -16.188 -5.088 1.253 1.00 44.40 O ATOM 1614 OE2 GLU A 96 -15.123 -5.915 -0.473 1.00 22.30 O ATOM 0 H GLU A 96 -13.828 -3.408 0.567 1.00 41.34 H new ATOM 0 HA GLU A 96 -14.339 -4.138 3.229 1.00 35.14 H new ATOM 0 HB2 GLU A 96 -12.479 -5.096 1.050 1.00 61.02 H new ATOM 0 HB3 GLU A 96 -12.319 -5.761 2.663 1.00 61.02 H new ATOM 0 HG2 GLU A 96 -13.738 -7.179 1.235 1.00 10.32 H new ATOM 0 HG3 GLU A 96 -14.622 -6.572 2.622 1.00 10.32 H new ATOM 1621 N VAL A 97 -11.500 -2.549 2.777 1.00 2.14 N ATOM 1622 CA VAL A 97 -10.423 -1.844 3.487 1.00 2.44 C ATOM 1623 C VAL A 97 -10.977 -0.698 4.354 1.00 1.45 C ATOM 1624 O VAL A 97 -10.646 -0.580 5.537 1.00 62.22 O ATOM 1625 CB VAL A 97 -9.375 -1.278 2.494 1.00 64.14 C ATOM 1626 CG1 VAL A 97 -8.268 -0.523 3.231 1.00 23.45 C ATOM 1627 CG2 VAL A 97 -8.788 -2.396 1.634 1.00 4.32 C ATOM 0 H VAL A 97 -11.514 -2.390 1.770 1.00 2.14 H new ATOM 0 HA VAL A 97 -9.940 -2.574 4.137 1.00 2.44 H new ATOM 0 HB VAL A 97 -9.882 -0.571 1.838 1.00 64.14 H new ATOM 0 HG11 VAL A 97 -7.548 -0.138 2.509 1.00 23.45 H new ATOM 0 HG12 VAL A 97 -8.702 0.307 3.789 1.00 23.45 H new ATOM 0 HG13 VAL A 97 -7.764 -1.199 3.921 1.00 23.45 H new ATOM 0 HG21 VAL A 97 -8.055 -1.978 0.944 1.00 4.32 H new ATOM 0 HG22 VAL A 97 -8.304 -3.132 2.275 1.00 4.32 H new ATOM 0 HG23 VAL A 97 -9.586 -2.877 1.068 1.00 4.32 H new ATOM 1637 N ARG A 98 -11.832 0.133 3.761 1.00 2.12 N ATOM 1638 CA ARG A 98 -12.420 1.284 4.460 1.00 60.23 C ATOM 1639 C ARG A 98 -13.242 0.841 5.685 1.00 44.24 C ATOM 1640 O ARG A 98 -13.117 1.411 6.770 1.00 74.42 O ATOM 1641 CB ARG A 98 -13.310 2.087 3.494 1.00 24.51 C ATOM 1642 CG ARG A 98 -13.926 3.345 4.110 1.00 1.34 C ATOM 1643 CD ARG A 98 -12.866 4.384 4.479 1.00 11.13 C ATOM 1644 NE ARG A 98 -13.433 5.518 5.210 1.00 1.52 N ATOM 1645 CZ ARG A 98 -12.868 6.691 5.305 1.00 63.43 C ATOM 1646 NH1 ARG A 98 -11.773 6.955 4.665 1.00 70.14 N ATOM 1647 NH2 ARG A 98 -13.415 7.613 6.027 1.00 22.42 N ATOM 0 H ARG A 98 -12.137 0.033 2.793 1.00 2.12 H new ATOM 0 HA ARG A 98 -11.604 1.914 4.813 1.00 60.23 H new ATOM 0 HB2 ARG A 98 -12.718 2.374 2.625 1.00 24.51 H new ATOM 0 HB3 ARG A 98 -14.112 1.442 3.134 1.00 24.51 H new ATOM 0 HG2 ARG A 98 -14.633 3.784 3.406 1.00 1.34 H new ATOM 0 HG3 ARG A 98 -14.491 3.072 5.001 1.00 1.34 H new ATOM 0 HD2 ARG A 98 -12.094 3.912 5.086 1.00 11.13 H new ATOM 0 HD3 ARG A 98 -12.382 4.745 3.571 1.00 11.13 H new ATOM 0 HE ARG A 98 -14.330 5.383 5.677 1.00 1.52 H new ATOM 0 HH11 ARG A 98 -11.341 6.242 4.077 1.00 70.14 H new ATOM 0 HH12 ARG A 98 -11.343 7.876 4.749 1.00 70.14 H new ATOM 0 HH21 ARG A 98 -14.287 7.424 6.521 1.00 22.42 H new ATOM 0 HH22 ARG A 98 -12.975 8.530 6.102 1.00 22.42 H new ATOM 1661 N ARG A 99 -14.069 -0.188 5.502 1.00 55.52 N ATOM 1662 CA ARG A 99 -14.937 -0.701 6.574 1.00 73.33 C ATOM 1663 C ARG A 99 -14.118 -1.242 7.767 1.00 24.23 C ATOM 1664 O ARG A 99 -14.626 -1.357 8.886 1.00 12.02 O ATOM 1665 CB ARG A 99 -15.876 -1.782 6.002 1.00 74.25 C ATOM 1666 CG ARG A 99 -16.927 -2.314 6.983 1.00 4.11 C ATOM 1667 CD ARG A 99 -16.467 -3.585 7.694 1.00 15.23 C ATOM 1668 NE ARG A 99 -16.218 -4.675 6.752 1.00 63.25 N ATOM 1669 CZ ARG A 99 -15.924 -5.899 7.095 1.00 51.24 C ATOM 1670 NH1 ARG A 99 -15.850 -6.240 8.343 1.00 42.41 N ATOM 1671 NH2 ARG A 99 -15.723 -6.785 6.176 1.00 5.30 N ATOM 0 H ARG A 99 -14.160 -0.689 4.618 1.00 55.52 H new ATOM 0 HA ARG A 99 -15.537 0.124 6.958 1.00 73.33 H new ATOM 0 HB2 ARG A 99 -16.388 -1.373 5.131 1.00 74.25 H new ATOM 0 HB3 ARG A 99 -15.271 -2.619 5.652 1.00 74.25 H new ATOM 0 HG2 ARG A 99 -17.150 -1.547 7.724 1.00 4.11 H new ATOM 0 HG3 ARG A 99 -17.853 -2.516 6.445 1.00 4.11 H new ATOM 0 HD2 ARG A 99 -15.558 -3.377 8.258 1.00 15.23 H new ATOM 0 HD3 ARG A 99 -17.225 -3.893 8.414 1.00 15.23 H new ATOM 0 HE ARG A 99 -16.278 -4.464 5.756 1.00 63.25 H new ATOM 0 HH11 ARG A 99 -16.023 -5.548 9.072 1.00 42.41 H new ATOM 0 HH12 ARG A 99 -15.619 -7.201 8.596 1.00 42.41 H new ATOM 0 HH21 ARG A 99 -15.795 -6.525 5.192 1.00 5.30 H new ATOM 0 HH22 ARG A 99 -15.493 -7.744 6.434 1.00 5.30 H new ATOM 1685 N ARG A 100 -12.846 -1.562 7.530 1.00 2.35 N ATOM 1686 CA ARG A 100 -11.947 -2.021 8.597 1.00 63.44 C ATOM 1687 C ARG A 100 -11.363 -0.844 9.402 1.00 70.40 C ATOM 1688 O ARG A 100 -10.529 -1.037 10.289 1.00 54.00 O ATOM 1689 CB ARG A 100 -10.813 -2.867 8.001 1.00 71.53 C ATOM 1690 CG ARG A 100 -11.289 -4.177 7.384 1.00 23.41 C ATOM 1691 CD ARG A 100 -10.150 -4.949 6.729 1.00 4.22 C ATOM 1692 NE ARG A 100 -10.580 -6.263 6.253 1.00 34.33 N ATOM 1693 CZ ARG A 100 -9.831 -7.070 5.553 1.00 43.53 C ATOM 1694 NH1 ARG A 100 -8.645 -6.708 5.180 1.00 42.53 N ATOM 1695 NH2 ARG A 100 -10.275 -8.235 5.218 1.00 43.40 N ATOM 0 H ARG A 100 -12.411 -1.513 6.609 1.00 2.35 H new ATOM 0 HA ARG A 100 -12.534 -2.631 9.284 1.00 63.44 H new ATOM 0 HB2 ARG A 100 -10.297 -2.283 7.239 1.00 71.53 H new ATOM 0 HB3 ARG A 100 -10.085 -3.086 8.782 1.00 71.53 H new ATOM 0 HG2 ARG A 100 -11.749 -4.795 8.156 1.00 23.41 H new ATOM 0 HG3 ARG A 100 -12.059 -3.969 6.642 1.00 23.41 H new ATOM 0 HD2 ARG A 100 -9.755 -4.372 5.893 1.00 4.22 H new ATOM 0 HD3 ARG A 100 -9.337 -5.071 7.444 1.00 4.22 H new ATOM 0 HE ARG A 100 -11.526 -6.568 6.483 1.00 34.33 H new ATOM 0 HH11 ARG A 100 -8.290 -5.786 5.433 1.00 42.53 H new ATOM 0 HH12 ARG A 100 -8.066 -7.345 4.633 1.00 42.53 H new ATOM 0 HH21 ARG A 100 -11.211 -8.525 5.501 1.00 43.40 H new ATOM 0 HH22 ARG A 100 -9.689 -8.866 4.671 1.00 43.40 H new ATOM 1709 N GLY A 101 -11.815 0.372 9.099 1.00 21.32 N ATOM 1710 CA GLY A 101 -11.354 1.555 9.824 1.00 21.34 C ATOM 1711 C GLY A 101 -10.112 2.197 9.210 1.00 23.33 C ATOM 1712 O GLY A 101 -9.506 3.095 9.803 1.00 40.40 O ATOM 0 H GLY A 101 -12.494 0.563 8.363 1.00 21.32 H new ATOM 0 HA2 GLY A 101 -12.158 2.291 9.852 1.00 21.34 H new ATOM 0 HA3 GLY A 101 -11.138 1.278 10.856 1.00 21.34 H new ATOM 1716 N PHE A 102 -9.727 1.739 8.023 1.00 21.41 N ATOM 1717 CA PHE A 102 -8.531 2.256 7.348 1.00 11.10 C ATOM 1718 C PHE A 102 -8.879 3.309 6.285 1.00 44.41 C ATOM 1719 O PHE A 102 -9.843 3.160 5.532 1.00 42.04 O ATOM 1720 CB PHE A 102 -7.751 1.105 6.704 1.00 53.43 C ATOM 1721 CG PHE A 102 -7.181 0.133 7.704 1.00 40.44 C ATOM 1722 CD1 PHE A 102 -6.228 0.548 8.621 1.00 41.42 C ATOM 1723 CD2 PHE A 102 -7.593 -1.194 7.725 1.00 11.21 C ATOM 1724 CE1 PHE A 102 -5.696 -0.336 9.537 1.00 1.41 C ATOM 1725 CE2 PHE A 102 -7.062 -2.081 8.641 1.00 64.25 C ATOM 1726 CZ PHE A 102 -6.112 -1.650 9.548 1.00 20.24 C ATOM 0 H PHE A 102 -10.222 1.012 7.506 1.00 21.41 H new ATOM 0 HA PHE A 102 -7.914 2.741 8.104 1.00 11.10 H new ATOM 0 HB2 PHE A 102 -8.409 0.568 6.021 1.00 53.43 H new ATOM 0 HB3 PHE A 102 -6.938 1.517 6.106 1.00 53.43 H new ATOM 0 HD1 PHE A 102 -5.898 1.576 8.618 1.00 41.42 H new ATOM 0 HD2 PHE A 102 -8.335 -1.535 7.019 1.00 11.21 H new ATOM 0 HE1 PHE A 102 -4.954 0.002 10.245 1.00 1.41 H new ATOM 0 HE2 PHE A 102 -7.389 -3.110 8.649 1.00 64.25 H new ATOM 0 HZ PHE A 102 -5.696 -2.342 10.265 1.00 20.24 H new ATOM 1736 N GLU A 103 -8.075 4.368 6.225 1.00 30.34 N ATOM 1737 CA GLU A 103 -8.267 5.432 5.239 1.00 35.12 C ATOM 1738 C GLU A 103 -7.606 5.057 3.903 1.00 72.32 C ATOM 1739 O GLU A 103 -6.396 5.213 3.723 1.00 1.52 O ATOM 1740 CB GLU A 103 -7.699 6.752 5.781 1.00 15.23 C ATOM 1741 CG GLU A 103 -8.344 7.189 7.091 1.00 55.25 C ATOM 1742 CD GLU A 103 -7.791 8.500 7.620 1.00 65.31 C ATOM 1743 OE1 GLU A 103 -8.327 9.567 7.246 1.00 11.51 O ATOM 1744 OE2 GLU A 103 -6.830 8.466 8.423 1.00 13.22 O ATOM 0 H GLU A 103 -7.281 4.514 6.849 1.00 30.34 H new ATOM 0 HA GLU A 103 -9.334 5.560 5.058 1.00 35.12 H new ATOM 0 HB2 GLU A 103 -6.625 6.644 5.931 1.00 15.23 H new ATOM 0 HB3 GLU A 103 -7.840 7.534 5.035 1.00 15.23 H new ATOM 0 HG2 GLU A 103 -9.419 7.288 6.944 1.00 55.25 H new ATOM 0 HG3 GLU A 103 -8.195 6.411 7.839 1.00 55.25 H new ATOM 1751 N VAL A 104 -8.412 4.537 2.982 1.00 75.12 N ATOM 1752 CA VAL A 104 -7.919 4.040 1.693 1.00 34.14 C ATOM 1753 C VAL A 104 -8.066 5.076 0.564 1.00 53.54 C ATOM 1754 O VAL A 104 -9.053 5.814 0.498 1.00 4.21 O ATOM 1755 CB VAL A 104 -8.655 2.732 1.293 1.00 62.54 C ATOM 1756 CG1 VAL A 104 -10.168 2.947 1.229 1.00 63.01 C ATOM 1757 CG2 VAL A 104 -8.127 2.188 -0.033 1.00 3.04 C ATOM 0 H VAL A 104 -9.421 4.447 3.103 1.00 75.12 H new ATOM 0 HA VAL A 104 -6.856 3.841 1.825 1.00 34.14 H new ATOM 0 HB VAL A 104 -8.454 1.990 2.066 1.00 62.54 H new ATOM 0 HG11 VAL A 104 -10.656 2.014 0.947 1.00 63.01 H new ATOM 0 HG12 VAL A 104 -10.532 3.266 2.206 1.00 63.01 H new ATOM 0 HG13 VAL A 104 -10.395 3.714 0.489 1.00 63.01 H new ATOM 0 HG21 VAL A 104 -8.660 1.272 -0.289 1.00 3.04 H new ATOM 0 HG22 VAL A 104 -8.282 2.929 -0.818 1.00 3.04 H new ATOM 0 HG23 VAL A 104 -7.062 1.974 0.060 1.00 3.04 H new ATOM 1767 N ARG A 105 -7.068 5.129 -0.318 1.00 74.32 N ATOM 1768 CA ARG A 105 -7.122 5.964 -1.523 1.00 61.31 C ATOM 1769 C ARG A 105 -6.985 5.106 -2.792 1.00 61.30 C ATOM 1770 O ARG A 105 -6.055 4.308 -2.919 1.00 55.24 O ATOM 1771 CB ARG A 105 -6.029 7.046 -1.485 1.00 35.35 C ATOM 1772 CG ARG A 105 -6.375 8.234 -0.593 1.00 12.41 C ATOM 1773 CD ARG A 105 -5.367 9.367 -0.742 1.00 11.43 C ATOM 1774 NE ARG A 105 -5.759 10.547 0.024 1.00 44.52 N ATOM 1775 CZ ARG A 105 -5.417 11.770 -0.280 1.00 13.14 C ATOM 1776 NH1 ARG A 105 -4.713 12.014 -1.341 1.00 73.04 N ATOM 1777 NH2 ARG A 105 -5.807 12.747 0.470 1.00 40.43 N ATOM 0 H ARG A 105 -6.203 4.598 -0.220 1.00 74.32 H new ATOM 0 HA ARG A 105 -8.094 6.457 -1.547 1.00 61.31 H new ATOM 0 HB2 ARG A 105 -5.099 6.598 -1.135 1.00 35.35 H new ATOM 0 HB3 ARG A 105 -5.849 7.404 -2.499 1.00 35.35 H new ATOM 0 HG2 ARG A 105 -7.371 8.599 -0.844 1.00 12.41 H new ATOM 0 HG3 ARG A 105 -6.407 7.910 0.447 1.00 12.41 H new ATOM 0 HD2 ARG A 105 -4.386 9.027 -0.409 1.00 11.43 H new ATOM 0 HD3 ARG A 105 -5.272 9.632 -1.795 1.00 11.43 H new ATOM 0 HE ARG A 105 -6.339 10.406 0.852 1.00 44.52 H new ATOM 0 HH11 ARG A 105 -4.421 11.247 -1.947 1.00 73.04 H new ATOM 0 HH12 ARG A 105 -4.451 12.973 -1.570 1.00 73.04 H new ATOM 0 HH21 ARG A 105 -6.379 12.561 1.294 1.00 40.43 H new ATOM 0 HH22 ARG A 105 -5.543 13.705 0.238 1.00 40.43 H new ATOM 1791 N THR A 106 -7.923 5.274 -3.724 1.00 73.03 N ATOM 1792 CA THR A 106 -7.962 4.480 -4.961 1.00 73.33 C ATOM 1793 C THR A 106 -7.335 5.227 -6.146 1.00 4.25 C ATOM 1794 O THR A 106 -7.828 6.281 -6.551 1.00 34.55 O ATOM 1795 CB THR A 106 -9.419 4.110 -5.332 1.00 72.11 C ATOM 1796 OG1 THR A 106 -10.220 5.298 -5.459 1.00 52.34 O ATOM 1797 CG2 THR A 106 -10.034 3.194 -4.278 1.00 72.30 C ATOM 0 H THR A 106 -8.675 5.959 -3.648 1.00 73.03 H new ATOM 0 HA THR A 106 -7.382 3.578 -4.766 1.00 73.33 H new ATOM 0 HB THR A 106 -9.398 3.584 -6.286 1.00 72.11 H new ATOM 0 HG1 THR A 106 -9.742 5.958 -6.003 1.00 52.34 H new ATOM 0 HG21 THR A 106 -11.057 2.949 -4.562 1.00 72.30 H new ATOM 0 HG22 THR A 106 -9.448 2.278 -4.206 1.00 72.30 H new ATOM 0 HG23 THR A 106 -10.037 3.700 -3.313 1.00 72.30 H new ATOM 1805 N VAL A 107 -6.257 4.675 -6.705 1.00 45.12 N ATOM 1806 CA VAL A 107 -5.582 5.283 -7.864 1.00 23.01 C ATOM 1807 C VAL A 107 -5.372 4.267 -9.004 1.00 61.12 C ATOM 1808 O VAL A 107 -5.067 3.097 -8.766 1.00 40.50 O ATOM 1809 CB VAL A 107 -4.214 5.904 -7.469 1.00 21.43 C ATOM 1810 CG1 VAL A 107 -4.404 7.053 -6.477 1.00 43.00 C ATOM 1811 CG2 VAL A 107 -3.273 4.843 -6.894 1.00 71.11 C ATOM 0 H VAL A 107 -5.829 3.809 -6.378 1.00 45.12 H new ATOM 0 HA VAL A 107 -6.240 6.075 -8.220 1.00 23.01 H new ATOM 0 HB VAL A 107 -3.756 6.306 -8.373 1.00 21.43 H new ATOM 0 HG11 VAL A 107 -3.432 7.472 -6.215 1.00 43.00 H new ATOM 0 HG12 VAL A 107 -5.023 7.827 -6.931 1.00 43.00 H new ATOM 0 HG13 VAL A 107 -4.893 6.680 -5.577 1.00 43.00 H new ATOM 0 HG21 VAL A 107 -2.323 5.306 -6.626 1.00 71.11 H new ATOM 0 HG22 VAL A 107 -3.724 4.400 -6.006 1.00 71.11 H new ATOM 0 HG23 VAL A 107 -3.101 4.067 -7.640 1.00 71.11 H new ATOM 1821 N THR A 108 -5.548 4.724 -10.244 1.00 22.40 N ATOM 1822 CA THR A 108 -5.356 3.869 -11.431 1.00 1.42 C ATOM 1823 C THR A 108 -4.142 4.319 -12.257 1.00 31.10 C ATOM 1824 O THR A 108 -3.540 3.522 -12.979 1.00 23.43 O ATOM 1825 CB THR A 108 -6.604 3.869 -12.349 1.00 2.41 C ATOM 1826 OG1 THR A 108 -6.832 5.185 -12.881 1.00 21.41 O ATOM 1827 CG2 THR A 108 -7.848 3.407 -11.594 1.00 21.12 C ATOM 0 H THR A 108 -5.824 5.682 -10.460 1.00 22.40 H new ATOM 0 HA THR A 108 -5.188 2.860 -11.054 1.00 1.42 H new ATOM 0 HB THR A 108 -6.413 3.172 -13.165 1.00 2.41 H new ATOM 0 HG1 THR A 108 -7.622 5.171 -13.461 1.00 21.41 H new ATOM 0 HG21 THR A 108 -8.706 3.418 -12.266 1.00 21.12 H new ATOM 0 HG22 THR A 108 -7.692 2.395 -11.221 1.00 21.12 H new ATOM 0 HG23 THR A 108 -8.035 4.078 -10.755 1.00 21.12 H new ATOM 1835 N SER A 109 -3.793 5.604 -12.154 1.00 31.04 N ATOM 1836 CA SER A 109 -2.629 6.166 -12.862 1.00 45.41 C ATOM 1837 C SER A 109 -1.506 6.543 -11.875 1.00 63.52 C ATOM 1838 O SER A 109 -1.772 7.095 -10.802 1.00 72.14 O ATOM 1839 CB SER A 109 -3.039 7.405 -13.676 1.00 52.51 C ATOM 1840 OG SER A 109 -4.040 7.094 -14.642 1.00 40.25 O ATOM 0 H SER A 109 -4.300 6.282 -11.585 1.00 31.04 H new ATOM 0 HA SER A 109 -2.253 5.400 -13.540 1.00 45.41 H new ATOM 0 HB2 SER A 109 -3.411 8.176 -13.002 1.00 52.51 H new ATOM 0 HB3 SER A 109 -2.164 7.816 -14.179 1.00 52.51 H new ATOM 0 HG SER A 109 -4.278 7.904 -15.139 1.00 40.25 H new ATOM 1846 N PRO A 110 -0.230 6.265 -12.229 1.00 52.14 N ATOM 1847 CA PRO A 110 0.926 6.495 -11.335 1.00 2.31 C ATOM 1848 C PRO A 110 1.059 7.949 -10.841 1.00 51.54 C ATOM 1849 O PRO A 110 1.575 8.194 -9.747 1.00 23.53 O ATOM 1850 CB PRO A 110 2.143 6.100 -12.195 1.00 5.24 C ATOM 1851 CG PRO A 110 1.645 6.085 -13.603 1.00 2.43 C ATOM 1852 CD PRO A 110 0.194 5.697 -13.524 1.00 31.11 C ATOM 0 HA PRO A 110 0.823 5.916 -10.418 1.00 2.31 H new ATOM 0 HB2 PRO A 110 2.958 6.814 -12.074 1.00 5.24 H new ATOM 0 HB3 PRO A 110 2.529 5.123 -11.904 1.00 5.24 H new ATOM 0 HG2 PRO A 110 1.763 7.063 -14.069 1.00 2.43 H new ATOM 0 HG3 PRO A 110 2.207 5.374 -14.208 1.00 2.43 H new ATOM 0 HD2 PRO A 110 -0.380 6.110 -14.353 1.00 31.11 H new ATOM 0 HD3 PRO A 110 0.063 4.615 -13.553 1.00 31.11 H new ATOM 1860 N ASP A 111 0.608 8.917 -11.639 1.00 74.51 N ATOM 1861 CA ASP A 111 0.670 10.325 -11.230 1.00 73.45 C ATOM 1862 C ASP A 111 -0.356 10.658 -10.133 1.00 65.43 C ATOM 1863 O ASP A 111 -0.072 11.455 -9.235 1.00 64.45 O ATOM 1864 CB ASP A 111 0.502 11.250 -12.437 1.00 11.11 C ATOM 1865 CG ASP A 111 1.722 11.217 -13.340 1.00 42.11 C ATOM 1866 OD1 ASP A 111 2.836 11.471 -12.839 1.00 42.24 O ATOM 1867 OD2 ASP A 111 1.579 10.938 -14.549 1.00 10.25 O ATOM 0 H ASP A 111 0.201 8.758 -12.561 1.00 74.51 H new ATOM 0 HA ASP A 111 1.658 10.492 -10.802 1.00 73.45 H new ATOM 0 HB2 ASP A 111 -0.380 10.952 -13.005 1.00 11.11 H new ATOM 0 HB3 ASP A 111 0.330 12.270 -12.093 1.00 11.11 H new ATOM 1872 N ASP A 112 -1.538 10.042 -10.193 1.00 63.44 N ATOM 1873 CA ASP A 112 -2.527 10.186 -9.121 1.00 72.45 C ATOM 1874 C ASP A 112 -1.978 9.615 -7.805 1.00 74.23 C ATOM 1875 O ASP A 112 -2.222 10.160 -6.726 1.00 64.45 O ATOM 1876 CB ASP A 112 -3.842 9.499 -9.495 1.00 51.31 C ATOM 1877 CG ASP A 112 -4.570 10.227 -10.610 1.00 55.32 C ATOM 1878 OD1 ASP A 112 -5.222 11.254 -10.324 1.00 12.10 O ATOM 1879 OD2 ASP A 112 -4.494 9.780 -11.775 1.00 5.04 O ATOM 0 H ASP A 112 -1.833 9.444 -10.965 1.00 63.44 H new ATOM 0 HA ASP A 112 -2.727 11.249 -8.983 1.00 72.45 H new ATOM 0 HB2 ASP A 112 -3.640 8.474 -9.804 1.00 51.31 H new ATOM 0 HB3 ASP A 112 -4.485 9.446 -8.617 1.00 51.31 H new ATOM 1884 N PHE A 113 -1.235 8.516 -7.904 1.00 64.11 N ATOM 1885 CA PHE A 113 -0.500 7.972 -6.758 1.00 11.53 C ATOM 1886 C PHE A 113 0.513 9.001 -6.225 1.00 2.33 C ATOM 1887 O PHE A 113 0.585 9.256 -5.023 1.00 53.32 O ATOM 1888 CB PHE A 113 0.225 6.675 -7.159 1.00 2.21 C ATOM 1889 CG PHE A 113 1.236 6.203 -6.141 1.00 22.33 C ATOM 1890 CD1 PHE A 113 0.831 5.562 -4.979 1.00 65.14 C ATOM 1891 CD2 PHE A 113 2.594 6.414 -6.342 1.00 53.23 C ATOM 1892 CE1 PHE A 113 1.756 5.143 -4.043 1.00 24.31 C ATOM 1893 CE2 PHE A 113 3.523 5.995 -5.410 1.00 71.12 C ATOM 1894 CZ PHE A 113 3.105 5.360 -4.259 1.00 63.42 C ATOM 0 H PHE A 113 -1.124 7.982 -8.766 1.00 64.11 H new ATOM 0 HA PHE A 113 -1.215 7.748 -5.966 1.00 11.53 H new ATOM 0 HB2 PHE A 113 -0.514 5.889 -7.314 1.00 2.21 H new ATOM 0 HB3 PHE A 113 0.729 6.831 -8.113 1.00 2.21 H new ATOM 0 HD1 PHE A 113 -0.221 5.389 -4.804 1.00 65.14 H new ATOM 0 HD2 PHE A 113 2.928 6.913 -7.240 1.00 53.23 H new ATOM 0 HE1 PHE A 113 1.426 4.646 -3.143 1.00 24.31 H new ATOM 0 HE2 PHE A 113 4.576 6.164 -5.582 1.00 71.12 H new ATOM 0 HZ PHE A 113 3.830 5.033 -3.528 1.00 63.42 H new ATOM 1904 N LYS A 114 1.280 9.590 -7.144 1.00 62.30 N ATOM 1905 CA LYS A 114 2.299 10.590 -6.801 1.00 64.41 C ATOM 1906 C LYS A 114 1.707 11.760 -5.988 1.00 54.44 C ATOM 1907 O LYS A 114 2.149 12.037 -4.871 1.00 32.01 O ATOM 1908 CB LYS A 114 2.958 11.124 -8.085 1.00 71.21 C ATOM 1909 CG LYS A 114 4.079 12.130 -7.838 1.00 43.41 C ATOM 1910 CD LYS A 114 4.628 12.737 -9.136 1.00 64.22 C ATOM 1911 CE LYS A 114 5.365 11.719 -10.009 1.00 11.31 C ATOM 1912 NZ LYS A 114 4.443 10.805 -10.739 1.00 20.13 N ATOM 0 H LYS A 114 1.215 9.391 -8.142 1.00 62.30 H new ATOM 0 HA LYS A 114 3.047 10.101 -6.177 1.00 64.41 H new ATOM 0 HB2 LYS A 114 3.357 10.283 -8.652 1.00 71.21 H new ATOM 0 HB3 LYS A 114 2.194 11.593 -8.705 1.00 71.21 H new ATOM 0 HG2 LYS A 114 3.709 12.930 -7.196 1.00 43.41 H new ATOM 0 HG3 LYS A 114 4.890 11.639 -7.300 1.00 43.41 H new ATOM 0 HD2 LYS A 114 3.804 13.167 -9.706 1.00 64.22 H new ATOM 0 HD3 LYS A 114 5.306 13.554 -8.890 1.00 64.22 H new ATOM 0 HE2 LYS A 114 5.988 12.249 -10.729 1.00 11.31 H new ATOM 0 HE3 LYS A 114 6.034 11.128 -9.383 1.00 11.31 H new ATOM 0 HZ1 LYS A 114 4.921 10.433 -11.584 1.00 20.13 H new ATOM 0 HZ2 LYS A 114 4.173 10.016 -10.118 1.00 20.13 H new ATOM 0 HZ3 LYS A 114 3.591 11.328 -11.025 1.00 20.13 H new ATOM 1926 N LYS A 115 0.700 12.435 -6.549 1.00 52.33 N ATOM 1927 CA LYS A 115 0.085 13.595 -5.886 1.00 53.45 C ATOM 1928 C LYS A 115 -0.604 13.209 -4.563 1.00 71.51 C ATOM 1929 O LYS A 115 -0.591 13.979 -3.603 1.00 34.25 O ATOM 1930 CB LYS A 115 -0.885 14.326 -6.842 1.00 62.02 C ATOM 1931 CG LYS A 115 -1.899 13.428 -7.562 1.00 24.25 C ATOM 1932 CD LYS A 115 -3.142 13.123 -6.725 1.00 31.32 C ATOM 1933 CE LYS A 115 -3.992 14.364 -6.478 1.00 55.11 C ATOM 1934 NZ LYS A 115 -5.277 14.024 -5.812 1.00 33.32 N ATOM 0 H LYS A 115 0.293 12.203 -7.455 1.00 52.33 H new ATOM 0 HA LYS A 115 0.887 14.287 -5.629 1.00 53.45 H new ATOM 0 HB2 LYS A 115 -1.431 15.078 -6.273 1.00 62.02 H new ATOM 0 HB3 LYS A 115 -0.298 14.857 -7.592 1.00 62.02 H new ATOM 0 HG2 LYS A 115 -2.205 13.910 -8.491 1.00 24.25 H new ATOM 0 HG3 LYS A 115 -1.414 12.490 -7.834 1.00 24.25 H new ATOM 0 HD2 LYS A 115 -3.743 12.369 -7.233 1.00 31.32 H new ATOM 0 HD3 LYS A 115 -2.838 12.697 -5.769 1.00 31.32 H new ATOM 0 HE2 LYS A 115 -3.436 15.069 -5.860 1.00 55.11 H new ATOM 0 HE3 LYS A 115 -4.194 14.862 -7.426 1.00 55.11 H new ATOM 0 HZ1 LYS A 115 -5.829 14.892 -5.660 1.00 33.32 H new ATOM 0 HZ2 LYS A 115 -5.818 13.371 -6.414 1.00 33.32 H new ATOM 0 HZ3 LYS A 115 -5.084 13.571 -4.896 1.00 33.32 H new ATOM 1948 N SER A 116 -1.189 12.011 -4.509 1.00 62.31 N ATOM 1949 CA SER A 116 -1.804 11.514 -3.266 1.00 0.41 C ATOM 1950 C SER A 116 -0.747 11.287 -2.180 1.00 63.32 C ATOM 1951 O SER A 116 -0.938 11.666 -1.024 1.00 60.03 O ATOM 1952 CB SER A 116 -2.571 10.206 -3.513 1.00 44.24 C ATOM 1953 OG SER A 116 -3.707 10.418 -4.338 1.00 52.44 O ATOM 0 H SER A 116 -1.252 11.369 -5.299 1.00 62.31 H new ATOM 0 HA SER A 116 -2.504 12.277 -2.925 1.00 0.41 H new ATOM 0 HB2 SER A 116 -1.910 9.478 -3.983 1.00 44.24 H new ATOM 0 HB3 SER A 116 -2.886 9.782 -2.560 1.00 44.24 H new ATOM 0 HG SER A 116 -3.440 10.376 -5.280 1.00 52.44 H new ATOM 1959 N LEU A 117 0.367 10.669 -2.567 1.00 72.03 N ATOM 1960 CA LEU A 117 1.465 10.374 -1.640 1.00 60.34 C ATOM 1961 C LEU A 117 2.031 11.658 -1.015 1.00 41.32 C ATOM 1962 O LEU A 117 2.089 11.790 0.210 1.00 21.32 O ATOM 1963 CB LEU A 117 2.576 9.609 -2.377 1.00 3.31 C ATOM 1964 CG LEU A 117 3.788 9.197 -1.520 1.00 53.44 C ATOM 1965 CD1 LEU A 117 3.364 8.250 -0.399 1.00 31.30 C ATOM 1966 CD2 LEU A 117 4.870 8.556 -2.390 1.00 50.35 C ATOM 0 H LEU A 117 0.537 10.359 -3.524 1.00 72.03 H new ATOM 0 HA LEU A 117 1.072 9.756 -0.833 1.00 60.34 H new ATOM 0 HB2 LEU A 117 2.143 8.710 -2.816 1.00 3.31 H new ATOM 0 HB3 LEU A 117 2.931 10.227 -3.202 1.00 3.31 H new ATOM 0 HG LEU A 117 4.204 10.096 -1.064 1.00 53.44 H new ATOM 0 HD11 LEU A 117 4.236 7.973 0.193 1.00 31.30 H new ATOM 0 HD12 LEU A 117 2.635 8.747 0.241 1.00 31.30 H new ATOM 0 HD13 LEU A 117 2.918 7.353 -0.829 1.00 31.30 H new ATOM 0 HD21 LEU A 117 5.718 8.272 -1.766 1.00 50.35 H new ATOM 0 HD22 LEU A 117 4.466 7.669 -2.879 1.00 50.35 H new ATOM 0 HD23 LEU A 117 5.199 9.269 -3.146 1.00 50.35 H new ATOM 1978 N GLU A 118 2.431 12.608 -1.864 1.00 21.35 N ATOM 1979 CA GLU A 118 3.016 13.872 -1.393 1.00 1.00 C ATOM 1980 C GLU A 118 2.062 14.628 -0.451 1.00 65.41 C ATOM 1981 O GLU A 118 2.492 15.200 0.553 1.00 22.43 O ATOM 1982 CB GLU A 118 3.402 14.765 -2.583 1.00 55.03 C ATOM 1983 CG GLU A 118 4.470 14.157 -3.490 1.00 44.22 C ATOM 1984 CD GLU A 118 4.960 15.128 -4.554 1.00 24.35 C ATOM 1985 OE1 GLU A 118 5.804 15.993 -4.227 1.00 63.44 O ATOM 1986 OE2 GLU A 118 4.507 15.040 -5.719 1.00 13.41 O ATOM 0 H GLU A 118 2.362 12.529 -2.879 1.00 21.35 H new ATOM 0 HA GLU A 118 3.914 13.623 -0.828 1.00 1.00 H new ATOM 0 HB2 GLU A 118 2.510 14.971 -3.175 1.00 55.03 H new ATOM 0 HB3 GLU A 118 3.762 15.722 -2.205 1.00 55.03 H new ATOM 0 HG2 GLU A 118 5.315 13.833 -2.883 1.00 44.22 H new ATOM 0 HG3 GLU A 118 4.066 13.268 -3.974 1.00 44.22 H new ATOM 1993 N ARG A 119 0.771 14.624 -0.776 1.00 12.43 N ATOM 1994 CA ARG A 119 -0.242 15.261 0.073 1.00 62.43 C ATOM 1995 C ARG A 119 -0.319 14.601 1.460 1.00 71.21 C ATOM 1996 O ARG A 119 -0.233 15.280 2.484 1.00 12.34 O ATOM 1997 CB ARG A 119 -1.617 15.209 -0.610 1.00 73.03 C ATOM 1998 CG ARG A 119 -1.744 16.136 -1.814 1.00 52.33 C ATOM 1999 CD ARG A 119 -1.627 17.602 -1.410 1.00 23.11 C ATOM 2000 NE ARG A 119 -2.617 17.968 -0.398 1.00 42.03 N ATOM 2001 CZ ARG A 119 -2.653 19.121 0.213 1.00 15.22 C ATOM 2002 NH1 ARG A 119 -1.845 20.073 -0.121 1.00 53.45 N ATOM 2003 NH2 ARG A 119 -3.525 19.330 1.139 1.00 1.25 N ATOM 0 H ARG A 119 0.399 14.188 -1.620 1.00 12.43 H new ATOM 0 HA ARG A 119 0.053 16.301 0.214 1.00 62.43 H new ATOM 0 HB2 ARG A 119 -1.815 14.186 -0.929 1.00 73.03 H new ATOM 0 HB3 ARG A 119 -2.384 15.469 0.119 1.00 73.03 H new ATOM 0 HG2 ARG A 119 -0.969 15.896 -2.542 1.00 52.33 H new ATOM 0 HG3 ARG A 119 -2.704 15.968 -2.303 1.00 52.33 H new ATOM 0 HD2 ARG A 119 -0.626 17.794 -1.025 1.00 23.11 H new ATOM 0 HD3 ARG A 119 -1.756 18.233 -2.290 1.00 23.11 H new ATOM 0 HE ARG A 119 -3.326 17.277 -0.153 1.00 42.03 H new ATOM 0 HH11 ARG A 119 -1.168 19.928 -0.870 1.00 53.45 H new ATOM 0 HH12 ARG A 119 -1.884 20.969 0.365 1.00 53.45 H new ATOM 0 HH21 ARG A 119 -4.185 18.595 1.393 1.00 1.25 H new ATOM 0 HH22 ARG A 119 -3.555 20.230 1.618 1.00 1.25 H new ATOM 2017 N LEU A 120 -0.466 13.276 1.483 1.00 54.25 N ATOM 2018 CA LEU A 120 -0.579 12.530 2.743 1.00 25.44 C ATOM 2019 C LEU A 120 0.645 12.746 3.649 1.00 24.20 C ATOM 2020 O LEU A 120 0.498 12.980 4.846 1.00 33.43 O ATOM 2021 CB LEU A 120 -0.774 11.032 2.461 1.00 20.44 C ATOM 2022 CG LEU A 120 -2.085 10.669 1.747 1.00 33.32 C ATOM 2023 CD1 LEU A 120 -2.150 9.170 1.460 1.00 12.23 C ATOM 2024 CD2 LEU A 120 -3.290 11.114 2.575 1.00 34.00 C ATOM 0 H LEU A 120 -0.510 12.695 0.646 1.00 54.25 H new ATOM 0 HA LEU A 120 -1.452 12.912 3.272 1.00 25.44 H new ATOM 0 HB2 LEU A 120 0.061 10.680 1.855 1.00 20.44 H new ATOM 0 HB3 LEU A 120 -0.732 10.491 3.407 1.00 20.44 H new ATOM 0 HG LEU A 120 -2.111 11.197 0.794 1.00 33.32 H new ATOM 0 HD11 LEU A 120 -3.087 8.937 0.954 1.00 12.23 H new ATOM 0 HD12 LEU A 120 -1.313 8.885 0.823 1.00 12.23 H new ATOM 0 HD13 LEU A 120 -2.097 8.617 2.398 1.00 12.23 H new ATOM 0 HD21 LEU A 120 -4.209 10.848 2.052 1.00 34.00 H new ATOM 0 HD22 LEU A 120 -3.268 10.618 3.545 1.00 34.00 H new ATOM 0 HD23 LEU A 120 -3.254 12.194 2.719 1.00 34.00 H new ATOM 2036 N ILE A 121 1.845 12.680 3.068 1.00 63.23 N ATOM 2037 CA ILE A 121 3.096 12.874 3.824 1.00 1.54 C ATOM 2038 C ILE A 121 3.109 14.212 4.587 1.00 33.21 C ATOM 2039 O ILE A 121 3.382 14.251 5.789 1.00 53.52 O ATOM 2040 CB ILE A 121 4.331 12.813 2.886 1.00 10.31 C ATOM 2041 CG1 ILE A 121 4.426 11.428 2.222 1.00 74.03 C ATOM 2042 CG2 ILE A 121 5.617 13.136 3.653 1.00 10.52 C ATOM 2043 CD1 ILE A 121 5.560 11.306 1.225 1.00 12.54 C ATOM 0 H ILE A 121 1.983 12.494 2.075 1.00 63.23 H new ATOM 0 HA ILE A 121 3.148 12.061 4.548 1.00 1.54 H new ATOM 0 HB ILE A 121 4.209 13.565 2.106 1.00 10.31 H new ATOM 0 HG12 ILE A 121 4.552 10.672 2.997 1.00 74.03 H new ATOM 0 HG13 ILE A 121 3.485 11.212 1.716 1.00 74.03 H new ATOM 0 HG21 ILE A 121 6.468 13.087 2.974 1.00 10.52 H new ATOM 0 HG22 ILE A 121 5.547 14.139 4.075 1.00 10.52 H new ATOM 0 HG23 ILE A 121 5.752 12.413 4.457 1.00 10.52 H new ATOM 0 HD11 ILE A 121 5.563 10.303 0.799 1.00 12.54 H new ATOM 0 HD12 ILE A 121 5.425 12.038 0.429 1.00 12.54 H new ATOM 0 HD13 ILE A 121 6.509 11.489 1.729 1.00 12.54 H new ATOM 2055 N ARG A 122 2.803 15.301 3.882 1.00 15.33 N ATOM 2056 CA ARG A 122 2.828 16.644 4.481 1.00 22.21 C ATOM 2057 C ARG A 122 1.829 16.768 5.645 1.00 22.21 C ATOM 2058 O ARG A 122 2.062 17.513 6.598 1.00 11.11 O ATOM 2059 CB ARG A 122 2.510 17.709 3.422 1.00 24.01 C ATOM 2060 CG ARG A 122 3.407 17.662 2.187 1.00 61.11 C ATOM 2061 CD ARG A 122 4.883 17.862 2.527 1.00 23.04 C ATOM 2062 NE ARG A 122 5.717 17.888 1.324 1.00 70.15 N ATOM 2063 CZ ARG A 122 7.019 17.972 1.333 1.00 63.51 C ATOM 2064 NH1 ARG A 122 7.678 17.982 2.446 1.00 73.50 N ATOM 2065 NH2 ARG A 122 7.668 18.022 0.217 1.00 12.12 N ATOM 0 H ARG A 122 2.535 15.284 2.898 1.00 15.33 H new ATOM 0 HA ARG A 122 3.832 16.804 4.873 1.00 22.21 H new ATOM 0 HB2 ARG A 122 1.473 17.592 3.107 1.00 24.01 H new ATOM 0 HB3 ARG A 122 2.595 18.695 3.880 1.00 24.01 H new ATOM 0 HG2 ARG A 122 3.280 16.702 1.686 1.00 61.11 H new ATOM 0 HG3 ARG A 122 3.092 18.433 1.484 1.00 61.11 H new ATOM 0 HD2 ARG A 122 5.007 18.796 3.076 1.00 23.04 H new ATOM 0 HD3 ARG A 122 5.217 17.059 3.184 1.00 23.04 H new ATOM 0 HE ARG A 122 5.249 17.837 0.419 1.00 70.15 H new ATOM 0 HH11 ARG A 122 7.180 17.924 3.334 1.00 73.50 H new ATOM 0 HH12 ARG A 122 8.696 18.048 2.435 1.00 73.50 H new ATOM 0 HH21 ARG A 122 7.163 17.996 -0.669 1.00 12.12 H new ATOM 0 HH22 ARG A 122 8.686 18.088 0.221 1.00 12.12 H new ATOM 2079 N GLU A 123 0.721 16.033 5.556 1.00 63.03 N ATOM 2080 CA GLU A 123 -0.342 16.095 6.566 1.00 30.45 C ATOM 2081 C GLU A 123 -0.058 15.165 7.760 1.00 43.41 C ATOM 2082 O GLU A 123 -0.062 15.603 8.911 1.00 55.12 O ATOM 2083 CB GLU A 123 -1.692 15.738 5.925 1.00 24.22 C ATOM 2084 CG GLU A 123 -2.081 16.644 4.758 1.00 73.02 C ATOM 2085 CD GLU A 123 -2.340 18.085 5.177 1.00 55.51 C ATOM 2086 OE1 GLU A 123 -3.497 18.411 5.516 1.00 44.13 O ATOM 2087 OE2 GLU A 123 -1.396 18.904 5.166 1.00 4.33 O ATOM 0 H GLU A 123 0.533 15.384 4.792 1.00 63.03 H new ATOM 0 HA GLU A 123 -0.377 17.115 6.949 1.00 30.45 H new ATOM 0 HB2 GLU A 123 -1.656 14.706 5.575 1.00 24.22 H new ATOM 0 HB3 GLU A 123 -2.470 15.789 6.687 1.00 24.22 H new ATOM 0 HG2 GLU A 123 -1.286 16.627 4.012 1.00 73.02 H new ATOM 0 HG3 GLU A 123 -2.976 16.245 4.280 1.00 73.02 H new ATOM 2094 N VAL A 124 0.192 13.881 7.485 1.00 62.44 N ATOM 2095 CA VAL A 124 0.439 12.892 8.546 1.00 2.52 C ATOM 2096 C VAL A 124 1.688 13.240 9.376 1.00 5.13 C ATOM 2097 O VAL A 124 1.732 13.002 10.586 1.00 32.31 O ATOM 2098 CB VAL A 124 0.580 11.454 7.969 1.00 50.42 C ATOM 2099 CG1 VAL A 124 1.825 11.325 7.088 1.00 11.12 C ATOM 2100 CG2 VAL A 124 0.599 10.417 9.093 1.00 20.31 C ATOM 0 H VAL A 124 0.229 13.500 6.540 1.00 62.44 H new ATOM 0 HA VAL A 124 -0.431 12.923 9.201 1.00 2.52 H new ATOM 0 HB VAL A 124 -0.290 11.262 7.341 1.00 50.42 H new ATOM 0 HG11 VAL A 124 1.893 10.308 6.701 1.00 11.12 H new ATOM 0 HG12 VAL A 124 1.756 12.026 6.256 1.00 11.12 H new ATOM 0 HG13 VAL A 124 2.713 11.549 7.679 1.00 11.12 H new ATOM 0 HG21 VAL A 124 0.698 9.419 8.666 1.00 20.31 H new ATOM 0 HG22 VAL A 124 1.442 10.614 9.755 1.00 20.31 H new ATOM 0 HG23 VAL A 124 -0.330 10.478 9.660 1.00 20.31 H new ATOM 2110 N GLY A 125 2.694 13.822 8.726 1.00 52.34 N ATOM 2111 CA GLY A 125 3.906 14.238 9.424 1.00 45.25 C ATOM 2112 C GLY A 125 3.764 15.590 10.124 1.00 72.30 C ATOM 2113 O GLY A 125 4.760 16.219 10.483 1.00 31.13 O ATOM 0 H GLY A 125 2.693 14.015 7.724 1.00 52.34 H new ATOM 0 HA2 GLY A 125 4.171 13.480 10.161 1.00 45.25 H new ATOM 0 HA3 GLY A 125 4.729 14.290 8.711 1.00 45.25 H new ATOM 2117 N SER A 126 2.523 16.041 10.323 1.00 74.44 N ATOM 2118 CA SER A 126 2.262 17.328 10.981 1.00 21.24 C ATOM 2119 C SER A 126 1.051 17.257 11.920 1.00 24.02 C ATOM 2120 O SER A 126 -0.024 16.795 11.536 1.00 11.31 O ATOM 2121 CB SER A 126 2.009 18.425 9.937 1.00 62.04 C ATOM 2122 OG SER A 126 3.085 18.538 9.016 1.00 61.34 O ATOM 0 H SER A 126 1.683 15.537 10.039 1.00 74.44 H new ATOM 0 HA SER A 126 3.148 17.565 11.570 1.00 21.24 H new ATOM 0 HB2 SER A 126 1.089 18.205 9.395 1.00 62.04 H new ATOM 0 HB3 SER A 126 1.861 19.380 10.442 1.00 62.04 H new ATOM 0 HG SER A 126 2.804 18.196 8.141 1.00 61.34 H new ATOM 2128 N LEU A 127 1.224 17.722 13.154 1.00 52.52 N ATOM 2129 CA LEU A 127 0.099 17.873 14.081 1.00 11.31 C ATOM 2130 C LEU A 127 -0.764 19.068 13.690 1.00 53.32 C ATOM 2131 O LEU A 127 -1.908 18.915 13.258 1.00 41.32 O ATOM 2132 CB LEU A 127 0.590 18.050 15.525 1.00 64.44 C ATOM 2133 CG LEU A 127 0.910 16.754 16.268 1.00 71.24 C ATOM 2134 CD1 LEU A 127 1.409 17.062 17.678 1.00 64.15 C ATOM 2135 CD2 LEU A 127 -0.324 15.854 16.314 1.00 12.05 C ATOM 0 H LEU A 127 2.127 18.001 13.537 1.00 52.52 H new ATOM 0 HA LEU A 127 -0.498 16.963 14.022 1.00 11.31 H new ATOM 0 HB2 LEU A 127 1.484 18.673 15.514 1.00 64.44 H new ATOM 0 HB3 LEU A 127 -0.170 18.593 16.086 1.00 64.44 H new ATOM 0 HG LEU A 127 1.700 16.226 15.733 1.00 71.24 H new ATOM 0 HD11 LEU A 127 1.633 16.130 18.196 1.00 64.15 H new ATOM 0 HD12 LEU A 127 2.311 17.671 17.620 1.00 64.15 H new ATOM 0 HD13 LEU A 127 0.639 17.605 18.226 1.00 64.15 H new ATOM 0 HD21 LEU A 127 -0.083 14.934 16.846 1.00 12.05 H new ATOM 0 HD22 LEU A 127 -1.132 16.371 16.831 1.00 12.05 H new ATOM 0 HD23 LEU A 127 -0.638 15.614 15.298 1.00 12.05 H new ATOM 2147 N GLU A 128 -0.203 20.260 13.842 1.00 61.13 N ATOM 2148 CA GLU A 128 -0.928 21.485 13.543 1.00 42.34 C ATOM 2149 C GLU A 128 -0.306 22.199 12.331 1.00 1.21 C ATOM 2150 O GLU A 128 0.468 23.145 12.478 1.00 1.43 O ATOM 2151 CB GLU A 128 -0.947 22.402 14.782 1.00 54.42 C ATOM 2152 CG GLU A 128 -2.179 23.291 14.856 1.00 42.43 C ATOM 2153 CD GLU A 128 -2.210 24.186 16.090 1.00 11.45 C ATOM 2154 OE1 GLU A 128 -1.569 25.257 16.074 1.00 1.22 O ATOM 2155 OE2 GLU A 128 -2.887 23.828 17.078 1.00 60.13 O ATOM 0 H GLU A 128 0.752 20.404 14.171 1.00 61.13 H new ATOM 0 HA GLU A 128 -1.957 21.234 13.287 1.00 42.34 H new ATOM 0 HB2 GLU A 128 -0.897 21.787 15.681 1.00 54.42 H new ATOM 0 HB3 GLU A 128 -0.055 23.029 14.775 1.00 54.42 H new ATOM 0 HG2 GLU A 128 -2.221 23.915 13.963 1.00 42.43 H new ATOM 0 HG3 GLU A 128 -3.071 22.664 14.849 1.00 42.43 H new ATOM 2162 N HIS A 129 -0.625 21.710 11.129 1.00 52.05 N ATOM 2163 CA HIS A 129 -0.105 22.300 9.889 1.00 65.22 C ATOM 2164 C HIS A 129 -0.738 23.681 9.651 1.00 71.52 C ATOM 2165 O HIS A 129 -0.109 24.587 9.103 1.00 12.24 O ATOM 2166 CB HIS A 129 -0.376 21.363 8.698 1.00 21.11 C ATOM 2167 CG HIS A 129 0.322 21.751 7.422 1.00 12.34 C ATOM 2168 ND1 HIS A 129 0.093 21.121 6.217 1.00 31.53 N ATOM 2169 CD2 HIS A 129 1.259 22.697 7.169 1.00 45.45 C ATOM 2170 CE1 HIS A 129 0.854 21.661 5.287 1.00 45.31 C ATOM 2171 NE2 HIS A 129 1.570 22.618 5.835 1.00 43.13 N ATOM 0 H HIS A 129 -1.240 20.909 10.987 1.00 52.05 H new ATOM 0 HA HIS A 129 0.973 22.429 9.985 1.00 65.22 H new ATOM 0 HB2 HIS A 129 -0.070 20.353 8.971 1.00 21.11 H new ATOM 0 HB3 HIS A 129 -1.450 21.332 8.514 1.00 21.11 H new ATOM 0 HD1 HIS A 129 -0.564 20.355 6.069 1.00 31.53 H new ATOM 0 HD2 HIS A 129 1.683 23.386 7.885 1.00 45.45 H new ATOM 0 HE1 HIS A 129 0.885 21.367 4.248 1.00 45.31 H new ATOM 2180 N HIS A 130 -1.995 23.821 10.060 1.00 3.13 N ATOM 2181 CA HIS A 130 -2.675 25.118 10.059 1.00 20.42 C ATOM 2182 C HIS A 130 -2.925 25.583 11.502 1.00 51.40 C ATOM 2183 O HIS A 130 -3.869 25.125 12.154 1.00 54.32 O ATOM 2184 CB HIS A 130 -4.001 25.030 9.287 1.00 31.14 C ATOM 2185 CG HIS A 130 -4.723 26.342 9.173 1.00 1.54 C ATOM 2186 ND1 HIS A 130 -5.583 26.814 10.141 1.00 70.43 N ATOM 2187 CD2 HIS A 130 -4.708 27.285 8.200 1.00 34.12 C ATOM 2188 CE1 HIS A 130 -6.066 27.983 9.772 1.00 21.31 C ATOM 2189 NE2 HIS A 130 -5.551 28.292 8.601 1.00 75.53 N ATOM 0 H HIS A 130 -2.569 23.049 10.399 1.00 3.13 H new ATOM 0 HA HIS A 130 -2.036 25.847 9.561 1.00 20.42 H new ATOM 0 HB2 HIS A 130 -3.803 24.646 8.286 1.00 31.14 H new ATOM 0 HB3 HIS A 130 -4.652 24.309 9.782 1.00 31.14 H new ATOM 0 HD2 HIS A 130 -4.140 27.251 7.282 1.00 34.12 H new ATOM 0 HE1 HIS A 130 -6.765 28.585 10.334 1.00 21.31 H new ATOM 0 HE2 HIS A 130 -5.747 29.144 8.075 1.00 75.53 H new ATOM 2198 N HIS A 131 -2.068 26.478 12.002 1.00 13.52 N ATOM 2199 CA HIS A 131 -2.172 26.963 13.388 1.00 32.44 C ATOM 2200 C HIS A 131 -3.574 27.517 13.687 1.00 62.05 C ATOM 2201 O HIS A 131 -4.140 28.265 12.887 1.00 62.32 O ATOM 2202 CB HIS A 131 -1.099 28.030 13.678 1.00 22.54 C ATOM 2203 CG HIS A 131 -1.239 29.294 12.878 1.00 54.03 C ATOM 2204 ND1 HIS A 131 -0.574 29.516 11.692 1.00 53.10 N ATOM 2205 CD2 HIS A 131 -1.958 30.421 13.112 1.00 31.33 C ATOM 2206 CE1 HIS A 131 -0.874 30.713 11.235 1.00 41.32 C ATOM 2207 NE2 HIS A 131 -1.709 31.283 12.075 1.00 70.42 N ATOM 0 H HIS A 131 -1.296 26.882 11.472 1.00 13.52 H new ATOM 0 HA HIS A 131 -2.001 26.111 14.046 1.00 32.44 H new ATOM 0 HB2 HIS A 131 -1.133 28.281 14.738 1.00 22.54 H new ATOM 0 HB3 HIS A 131 -0.116 27.600 13.484 1.00 22.54 H new ATOM 0 HD2 HIS A 131 -2.605 30.605 13.957 1.00 31.33 H new ATOM 0 HE1 HIS A 131 -0.498 31.153 10.323 1.00 41.32 H new ATOM 0 HE2 HIS A 131 -2.108 32.216 11.972 1.00 70.42 H new ATOM 2216 N HIS A 132 -4.131 27.148 14.838 1.00 2.35 N ATOM 2217 CA HIS A 132 -5.487 27.573 15.201 1.00 42.24 C ATOM 2218 C HIS A 132 -5.631 27.867 16.703 1.00 23.22 C ATOM 2219 O HIS A 132 -5.437 26.992 17.547 1.00 2.13 O ATOM 2220 CB HIS A 132 -6.521 26.525 14.755 1.00 75.45 C ATOM 2221 CG HIS A 132 -6.156 25.106 15.085 1.00 40.42 C ATOM 2222 ND1 HIS A 132 -5.703 24.215 14.138 1.00 4.55 N ATOM 2223 CD2 HIS A 132 -6.206 24.413 16.250 1.00 31.32 C ATOM 2224 CE1 HIS A 132 -5.499 23.043 14.699 1.00 15.52 C ATOM 2225 NE2 HIS A 132 -5.792 23.134 15.977 1.00 24.20 N ATOM 0 H HIS A 132 -3.671 26.560 15.533 1.00 2.35 H new ATOM 0 HA HIS A 132 -5.677 28.508 14.674 1.00 42.24 H new ATOM 0 HB2 HIS A 132 -7.479 26.758 15.221 1.00 75.45 H new ATOM 0 HB3 HIS A 132 -6.662 26.609 13.677 1.00 75.45 H new ATOM 0 HD1 HIS A 132 -5.549 24.431 13.153 1.00 4.55 H new ATOM 0 HD2 HIS A 132 -6.514 24.796 17.212 1.00 31.32 H new ATOM 0 HE1 HIS A 132 -5.149 22.155 14.194 1.00 15.52 H new ATOM 2234 N HIS A 133 -5.973 29.114 17.011 1.00 45.21 N ATOM 2235 CA HIS A 133 -6.261 29.545 18.386 1.00 62.12 C ATOM 2236 C HIS A 133 -7.483 28.817 18.972 1.00 54.23 C ATOM 2237 O HIS A 133 -8.164 28.055 18.280 1.00 30.15 O ATOM 2238 CB HIS A 133 -6.525 31.055 18.405 1.00 61.12 C ATOM 2239 CG HIS A 133 -7.637 31.471 17.485 1.00 72.20 C ATOM 2240 ND1 HIS A 133 -8.972 31.263 17.770 1.00 21.51 N ATOM 2241 CD2 HIS A 133 -7.608 32.063 16.264 1.00 3.32 C ATOM 2242 CE1 HIS A 133 -9.709 31.701 16.771 1.00 71.02 C ATOM 2243 NE2 HIS A 133 -8.908 32.190 15.848 1.00 62.15 N ATOM 0 H HIS A 133 -6.060 29.858 16.319 1.00 45.21 H new ATOM 0 HA HIS A 133 -5.393 29.299 18.997 1.00 62.12 H new ATOM 0 HB2 HIS A 133 -6.769 31.362 19.422 1.00 61.12 H new ATOM 0 HB3 HIS A 133 -5.613 31.581 18.123 1.00 61.12 H new ATOM 0 HD1 HIS A 133 -9.332 30.836 18.623 1.00 21.51 H new ATOM 0 HD2 HIS A 133 -6.727 32.375 15.723 1.00 3.32 H new ATOM 0 HE1 HIS A 133 -10.787 31.665 16.718 1.00 71.02 H new ATOM 2252 N HIS A 134 -7.764 29.073 20.248 1.00 72.01 N ATOM 2253 CA HIS A 134 -8.979 28.551 20.890 1.00 25.32 C ATOM 2254 C HIS A 134 -10.163 29.527 20.697 1.00 61.43 C ATOM 2255 O HIS A 134 -10.453 30.330 21.618 1.00 37.47 O ATOM 2256 CB HIS A 134 -8.720 28.296 22.384 1.00 30.45 C ATOM 2257 CG HIS A 134 -9.877 27.654 23.094 1.00 71.22 C ATOM 2258 ND1 HIS A 134 -10.869 28.376 23.723 1.00 1.54 N ATOM 2259 CD2 HIS A 134 -10.202 26.349 23.267 1.00 45.23 C ATOM 2260 CE1 HIS A 134 -11.748 27.548 24.250 1.00 33.30 C ATOM 2261 NE2 HIS A 134 -11.368 26.318 23.989 1.00 2.43 N ATOM 2262 OXT HIS A 134 -10.774 29.505 19.604 1.00 37.47 O ATOM 0 H HIS A 134 -7.173 29.636 20.860 1.00 72.01 H new ATOM 0 HA HIS A 134 -9.243 27.605 20.417 1.00 25.32 H new ATOM 0 HB2 HIS A 134 -7.842 27.659 22.488 1.00 30.45 H new ATOM 0 HB3 HIS A 134 -8.486 29.243 22.870 1.00 30.45 H new ATOM 0 HD2 HIS A 134 -9.648 25.496 22.905 1.00 45.23 H new ATOM 0 HE1 HIS A 134 -12.631 27.832 24.803 1.00 33.30 H new ATOM 0 HE2 HIS A 134 -11.862 25.473 24.278 1.00 2.43 H new TER 2271 HIS A 134