USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 106 LYS NZ :NH3+ 164:sc= 0.289 (180deg=0.175) USER MOD Set 1.2: A 110 THR OG1 : rot 73:sc= 0.154 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.688 X(o=1.1,f=1) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= 0.444 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -128:sc= -0.328 (180deg=-0.728) USER MOD Set 3.2: A 67 LYS NZ :NH3+ -153:sc= -0.244 (180deg=-0.742) USER MOD Set 4.1: A 29 SER OG : rot 118:sc= 0.889 USER MOD Set 4.2: A 66 TYR OH : rot 178:sc= 1.23 USER MOD Set 5.1: A 18 ASN : amide:sc= 1.53 K(o=2.7,f=-1.7!) USER MOD Set 5.2: A 20 SER OG : rot -42:sc= 1.14 USER MOD Single : A 15 GLN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 21 SER OG : rot -150:sc= -0.386 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -114:sc= -7.42! (180deg=-8.55!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 127:sc= -2.25! USER MOD Single : A 60 SER OG : rot 81:sc= 0.185 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.2!) USER MOD Single : A 70 THR OG1 : rot -77:sc= 0.993 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 81 ASN : amide:sc= -8.2! K(o=-8.2!,f=-1.4) USER MOD Single : A 84 SER OG : rot 150:sc= 0 USER MOD Single : A 87 THR OG1 : rot -47:sc= 1.23 USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0162) USER MOD Single : A 93 ASN : amide:sc= 0.759 K(o=0.76,f=-3!) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0.572 (180deg=0.433) USER MOD Single : A 99 SER OG : rot 43:sc= 0.113 USER MOD Single : A 107 SER OG : rot 180:sc=0.000764 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -131:sc= 0.214 USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 116 TYR OH : rot 67:sc= -2.88! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.984 -3.361 -9.662 1.00 0.00 N ATOM 2 CA VAL A 14 -4.443 -3.617 -9.675 1.00 0.00 C ATOM 3 C VAL A 14 -5.284 -2.533 -10.397 1.00 0.00 C ATOM 4 O VAL A 14 -6.488 -2.414 -10.187 1.00 0.00 O ATOM 5 CB VAL A 14 -4.910 -3.860 -8.216 1.00 0.00 C ATOM 6 CG1 VAL A 14 -5.011 -2.595 -7.366 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.197 -4.681 -8.132 1.00 0.00 C ATOM 0 HA VAL A 14 -4.619 -4.508 -10.278 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.106 -4.453 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.344 -2.857 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.034 -2.115 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.727 -1.909 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.474 -4.818 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.998 -4.157 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.038 -5.655 -8.596 1.00 0.00 H new ATOM 17 N GLN A 15 -4.645 -1.857 -11.357 1.00 0.00 N ATOM 18 CA GLN A 15 -5.117 -0.641 -12.061 1.00 0.00 C ATOM 19 C GLN A 15 -5.290 0.541 -11.093 1.00 0.00 C ATOM 20 O GLN A 15 -4.658 1.584 -11.225 1.00 0.00 O ATOM 21 CB GLN A 15 -6.373 -0.934 -12.901 1.00 0.00 C ATOM 22 CG GLN A 15 -6.679 0.252 -13.822 1.00 0.00 C ATOM 23 CD GLN A 15 -8.015 0.068 -14.536 1.00 0.00 C ATOM 24 OE1 GLN A 15 -8.140 -0.607 -15.540 1.00 0.00 O ATOM 25 NE2 GLN A 15 -9.049 0.697 -14.014 1.00 0.00 N ATOM 0 H GLN A 15 -3.728 -2.155 -11.690 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.345 -0.335 -12.768 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.221 -1.836 -13.494 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.223 -1.124 -12.245 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.700 1.173 -13.239 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.882 0.359 -14.558 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.931 1.260 -13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.967 0.621 -14.452 1.00 0.00 H new ATOM 34 N ASP A 16 -6.221 0.321 -10.164 1.00 0.00 N ATOM 35 CA ASP A 16 -6.572 1.204 -9.035 1.00 0.00 C ATOM 36 C ASP A 16 -7.483 0.416 -8.080 1.00 0.00 C ATOM 37 O ASP A 16 -8.482 -0.176 -8.510 1.00 0.00 O ATOM 38 CB ASP A 16 -7.272 2.489 -9.495 1.00 0.00 C ATOM 39 CG ASP A 16 -8.642 2.308 -10.141 1.00 0.00 C ATOM 40 OD1 ASP A 16 -9.635 2.320 -9.380 1.00 0.00 O ATOM 41 OD2 ASP A 16 -8.680 2.195 -11.394 1.00 0.00 O ATOM 0 H ASP A 16 -6.788 -0.527 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.655 1.513 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.382 3.148 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.622 2.999 -10.205 1.00 0.00 H new ATOM 47 N VAL A 17 -7.112 0.378 -6.803 1.00 0.00 N ATOM 48 CA VAL A 17 -7.980 -0.279 -5.811 1.00 0.00 C ATOM 49 C VAL A 17 -8.812 0.756 -5.049 1.00 0.00 C ATOM 50 O VAL A 17 -8.443 1.923 -4.925 1.00 0.00 O ATOM 51 CB VAL A 17 -7.270 -1.354 -4.957 1.00 0.00 C ATOM 52 CG1 VAL A 17 -6.136 -0.862 -4.056 1.00 0.00 C ATOM 53 CG2 VAL A 17 -8.257 -2.211 -4.163 1.00 0.00 C ATOM 0 H VAL A 17 -6.249 0.777 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.704 -0.890 -6.350 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.779 -1.972 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.716 -1.705 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.359 -0.403 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.524 -0.127 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.709 -2.951 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.834 -1.574 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.933 -2.719 -4.851 1.00 0.00 H new ATOM 63 N ASN A 18 -10.079 0.350 -4.973 1.00 0.00 N ATOM 64 CA ASN A 18 -11.157 1.089 -4.305 1.00 0.00 C ATOM 65 C ASN A 18 -12.106 0.067 -3.638 1.00 0.00 C ATOM 66 O ASN A 18 -11.841 -1.130 -3.661 1.00 0.00 O ATOM 67 CB ASN A 18 -11.852 1.996 -5.336 1.00 0.00 C ATOM 68 CG ASN A 18 -12.514 1.237 -6.482 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.541 0.591 -6.301 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.953 1.312 -7.670 1.00 0.00 N ATOM 0 H ASN A 18 -10.396 -0.527 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.781 1.742 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.606 2.596 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.119 2.689 -5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.372 0.827 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.099 1.855 -7.797 1.00 0.00 H new ATOM 77 N ASP A 19 -13.288 0.528 -3.233 1.00 0.00 N ATOM 78 CA ASP A 19 -14.311 -0.298 -2.560 1.00 0.00 C ATOM 79 C ASP A 19 -14.751 -1.548 -3.332 1.00 0.00 C ATOM 80 O ASP A 19 -14.755 -2.637 -2.763 1.00 0.00 O ATOM 81 CB ASP A 19 -15.535 0.558 -2.200 1.00 0.00 C ATOM 82 CG ASP A 19 -15.237 1.545 -1.067 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.649 2.607 -1.372 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.562 1.224 0.095 1.00 0.00 O ATOM 0 H ASP A 19 -13.574 1.499 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.825 -0.673 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.864 1.108 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.358 -0.093 -1.905 1.00 0.00 H new ATOM 90 N SER A 20 -14.949 -1.421 -4.644 1.00 0.00 N ATOM 91 CA SER A 20 -15.404 -2.557 -5.479 1.00 0.00 C ATOM 92 C SER A 20 -14.358 -3.684 -5.558 1.00 0.00 C ATOM 93 O SER A 20 -14.642 -4.817 -5.190 1.00 0.00 O ATOM 94 CB SER A 20 -15.836 -2.110 -6.882 1.00 0.00 C ATOM 95 OG SER A 20 -14.772 -1.451 -7.568 1.00 0.00 O ATOM 0 H SER A 20 -14.805 -0.552 -5.159 1.00 0.00 H new ATOM 0 HA SER A 20 -16.283 -2.963 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.161 -2.977 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.692 -1.439 -6.805 1.00 0.00 H new ATOM 0 HG SER A 20 -14.311 -0.845 -6.951 1.00 0.00 H new ATOM 101 N SER A 21 -13.125 -3.312 -5.898 1.00 0.00 N ATOM 102 CA SER A 21 -11.992 -4.262 -5.939 1.00 0.00 C ATOM 103 C SER A 21 -11.411 -4.721 -4.598 1.00 0.00 C ATOM 104 O SER A 21 -10.762 -5.773 -4.559 1.00 0.00 O ATOM 105 CB SER A 21 -10.854 -3.807 -6.843 1.00 0.00 C ATOM 106 OG SER A 21 -10.544 -2.418 -6.635 1.00 0.00 O ATOM 0 H SER A 21 -12.875 -2.356 -6.152 1.00 0.00 H new ATOM 0 HA SER A 21 -12.484 -5.138 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.969 -4.412 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.128 -3.968 -7.886 1.00 0.00 H new ATOM 0 HG SER A 21 -10.203 -2.031 -7.468 1.00 0.00 H new ATOM 112 N TRP A 22 -11.838 -4.108 -3.495 1.00 0.00 N ATOM 113 CA TRP A 22 -11.295 -4.365 -2.156 1.00 0.00 C ATOM 114 C TRP A 22 -11.343 -5.848 -1.747 1.00 0.00 C ATOM 115 O TRP A 22 -10.312 -6.501 -1.639 1.00 0.00 O ATOM 116 CB TRP A 22 -12.031 -3.467 -1.166 1.00 0.00 C ATOM 117 CG TRP A 22 -11.273 -3.388 0.153 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.612 -4.029 1.261 1.00 0.00 C ATOM 119 CD2 TRP A 22 -10.051 -2.761 0.382 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.657 -3.869 2.188 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.690 -3.116 1.692 1.00 0.00 C ATOM 122 CE3 TRP A 22 -9.164 -2.033 -0.446 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.418 -2.763 2.190 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.888 -1.716 0.031 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.518 -2.090 1.343 1.00 0.00 C ATOM 0 H TRP A 22 -12.581 -3.409 -3.503 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.232 -4.124 -2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -12.144 -2.468 -1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.035 -3.855 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.521 -4.596 1.397 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.674 -4.266 3.128 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.469 -1.726 -1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.140 -3.005 3.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.189 -1.188 -0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.527 -1.855 1.702 1.00 0.00 H new ATOM 136 N LYS A 23 -12.536 -6.401 -1.718 1.00 0.00 N ATOM 137 CA LYS A 23 -12.721 -7.808 -1.301 1.00 0.00 C ATOM 138 C LYS A 23 -12.113 -8.826 -2.278 1.00 0.00 C ATOM 139 O LYS A 23 -11.137 -9.490 -1.944 1.00 0.00 O ATOM 140 CB LYS A 23 -14.188 -8.093 -1.024 1.00 0.00 C ATOM 141 CG LYS A 23 -14.506 -7.325 0.240 1.00 0.00 C ATOM 142 CD LYS A 23 -16.013 -7.200 0.397 1.00 0.00 C ATOM 143 CE LYS A 23 -16.270 -5.948 1.224 1.00 0.00 C ATOM 144 NZ LYS A 23 -17.496 -5.351 0.669 1.00 0.00 N ATOM 0 H LYS A 23 -13.397 -5.917 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.161 -7.935 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.816 -7.766 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.364 -9.160 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.082 -7.836 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.051 -6.335 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.498 -7.126 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.424 -8.080 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.396 -6.194 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.431 -5.255 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.729 -4.484 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.346 -5.118 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.281 -6.028 0.753 1.00 0.00 H new ATOM 158 N GLU A 24 -12.485 -8.656 -3.543 1.00 0.00 N ATOM 159 CA GLU A 24 -12.017 -9.546 -4.623 1.00 0.00 C ATOM 160 C GLU A 24 -10.502 -9.537 -4.884 1.00 0.00 C ATOM 161 O GLU A 24 -9.978 -10.597 -5.185 1.00 0.00 O ATOM 162 CB GLU A 24 -12.827 -9.300 -5.905 1.00 0.00 C ATOM 163 CG GLU A 24 -12.863 -7.827 -6.311 1.00 0.00 C ATOM 164 CD GLU A 24 -13.703 -7.621 -7.563 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.073 -7.497 -8.644 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.939 -7.614 -7.430 1.00 0.00 O ATOM 0 H GLU A 24 -13.109 -7.912 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.203 -10.558 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.398 -9.886 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.847 -9.657 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.271 -7.232 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.848 -7.471 -6.488 1.00 0.00 H new ATOM 174 N PHE A 25 -9.839 -8.388 -4.759 1.00 0.00 N ATOM 175 CA PHE A 25 -8.382 -8.301 -4.980 1.00 0.00 C ATOM 176 C PHE A 25 -7.460 -8.139 -3.777 1.00 0.00 C ATOM 177 O PHE A 25 -6.448 -8.820 -3.695 1.00 0.00 O ATOM 178 CB PHE A 25 -8.048 -7.258 -6.053 1.00 0.00 C ATOM 179 CG PHE A 25 -8.346 -7.802 -7.454 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.525 -8.798 -8.006 1.00 0.00 C ATOM 181 CD2 PHE A 25 -9.441 -7.269 -8.173 1.00 0.00 C ATOM 182 CE1 PHE A 25 -7.790 -9.287 -9.304 1.00 0.00 C ATOM 183 CE2 PHE A 25 -9.708 -7.748 -9.469 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.886 -8.755 -10.023 1.00 0.00 C ATOM 0 H PHE A 25 -10.279 -7.503 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.153 -9.314 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.629 -6.352 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.996 -6.981 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.693 -9.189 -7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.064 -6.504 -7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.167 -10.054 -9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.536 -7.349 -10.036 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.099 -9.126 -11.015 1.00 0.00 H new ATOM 194 N VAL A 26 -7.882 -7.320 -2.829 1.00 0.00 N ATOM 195 CA VAL A 26 -7.093 -7.054 -1.605 1.00 0.00 C ATOM 196 C VAL A 26 -7.275 -8.206 -0.619 1.00 0.00 C ATOM 197 O VAL A 26 -6.332 -8.606 0.070 1.00 0.00 O ATOM 198 CB VAL A 26 -7.391 -5.694 -0.934 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.622 -5.477 0.368 1.00 0.00 C ATOM 200 CG2 VAL A 26 -7.028 -4.566 -1.899 1.00 0.00 C ATOM 0 H VAL A 26 -8.769 -6.818 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.051 -6.987 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.454 -5.694 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.879 -4.503 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.886 -6.258 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.551 -5.515 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.237 -3.605 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.968 -4.626 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.620 -4.661 -2.809 1.00 0.00 H new ATOM 210 N LEU A 27 -8.502 -8.702 -0.534 1.00 0.00 N ATOM 211 CA LEU A 27 -8.749 -9.875 0.314 1.00 0.00 C ATOM 212 C LEU A 27 -8.391 -11.207 -0.362 1.00 0.00 C ATOM 213 O LEU A 27 -8.037 -12.160 0.342 1.00 0.00 O ATOM 214 CB LEU A 27 -10.143 -9.833 0.953 1.00 0.00 C ATOM 215 CG LEU A 27 -10.140 -8.861 2.144 1.00 0.00 C ATOM 216 CD1 LEU A 27 -10.282 -7.397 1.721 1.00 0.00 C ATOM 217 CD2 LEU A 27 -11.283 -9.201 3.091 1.00 0.00 C ATOM 0 H LEU A 27 -9.319 -8.332 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.047 -9.818 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.882 -9.518 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.431 -10.830 1.286 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.174 -8.976 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.273 -6.760 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.452 -7.124 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.222 -7.262 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.276 -8.509 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.232 -9.118 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.161 -10.220 3.458 1.00 0.00 H new ATOM 229 N GLU A 28 -8.324 -11.220 -1.696 1.00 0.00 N ATOM 230 CA GLU A 28 -7.838 -12.397 -2.457 1.00 0.00 C ATOM 231 C GLU A 28 -7.006 -11.975 -3.680 1.00 0.00 C ATOM 232 O GLU A 28 -7.544 -11.471 -4.662 1.00 0.00 O ATOM 233 CB GLU A 28 -8.891 -13.308 -3.119 1.00 0.00 C ATOM 234 CG GLU A 28 -10.030 -13.975 -2.337 1.00 0.00 C ATOM 235 CD GLU A 28 -11.204 -13.065 -2.012 1.00 0.00 C ATOM 236 OE1 GLU A 28 -12.032 -12.795 -2.913 1.00 0.00 O ATOM 237 OE2 GLU A 28 -11.363 -12.813 -0.799 1.00 0.00 O ATOM 0 H GLU A 28 -8.599 -10.431 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.314 -12.929 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.361 -12.717 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.341 -14.111 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.397 -14.825 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.627 -14.371 -1.405 1.00 0.00 H new ATOM 245 N SER A 29 -5.700 -12.147 -3.618 1.00 0.00 N ATOM 246 CA SER A 29 -4.899 -12.124 -4.866 1.00 0.00 C ATOM 247 C SER A 29 -4.117 -13.438 -4.979 1.00 0.00 C ATOM 248 O SER A 29 -3.003 -13.487 -5.487 1.00 0.00 O ATOM 249 CB SER A 29 -3.976 -10.921 -4.861 1.00 0.00 C ATOM 250 OG SER A 29 -3.542 -10.606 -6.189 1.00 0.00 O ATOM 0 H SER A 29 -5.170 -12.300 -2.760 1.00 0.00 H new ATOM 0 HA SER A 29 -5.551 -12.035 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.492 -10.063 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.111 -11.124 -4.230 1.00 0.00 H new ATOM 0 HG SER A 29 -3.853 -9.709 -6.431 1.00 0.00 H new ATOM 256 N GLU A 30 -4.696 -14.479 -4.367 1.00 0.00 N ATOM 257 CA GLU A 30 -4.132 -15.819 -4.118 1.00 0.00 C ATOM 258 C GLU A 30 -3.036 -15.786 -3.044 1.00 0.00 C ATOM 259 O GLU A 30 -3.029 -16.561 -2.091 1.00 0.00 O ATOM 260 CB GLU A 30 -3.629 -16.477 -5.415 1.00 0.00 C ATOM 261 CG GLU A 30 -3.115 -17.889 -5.193 1.00 0.00 C ATOM 262 CD GLU A 30 -2.431 -18.433 -6.442 1.00 0.00 C ATOM 263 OE1 GLU A 30 -3.182 -18.905 -7.333 1.00 0.00 O ATOM 264 OE2 GLU A 30 -1.186 -18.364 -6.488 1.00 0.00 O ATOM 0 H GLU A 30 -5.646 -14.404 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.943 -16.438 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.439 -16.500 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.833 -15.867 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.413 -17.896 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.944 -18.541 -4.917 1.00 0.00 H new ATOM 272 N VAL A 31 -2.279 -14.700 -3.117 1.00 0.00 N ATOM 273 CA VAL A 31 -1.107 -14.370 -2.301 1.00 0.00 C ATOM 274 C VAL A 31 -1.477 -13.298 -1.256 1.00 0.00 C ATOM 275 O VAL A 31 -2.421 -12.523 -1.512 1.00 0.00 O ATOM 276 CB VAL A 31 0.025 -13.869 -3.238 1.00 0.00 C ATOM 277 CG1 VAL A 31 0.420 -14.958 -4.236 1.00 0.00 C ATOM 278 CG2 VAL A 31 -0.288 -12.573 -3.993 1.00 0.00 C ATOM 0 H VAL A 31 -2.479 -13.968 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.761 -15.253 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 31 0.855 -13.636 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.215 -14.587 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.773 -15.836 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.445 -15.228 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.561 -12.303 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.169 -12.720 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.479 -11.773 -3.278 1.00 0.00 H new ATOM 288 N PRO A 32 -0.748 -13.215 -0.129 1.00 0.00 N ATOM 289 CA PRO A 32 -0.875 -12.113 0.857 1.00 0.00 C ATOM 290 C PRO A 32 -0.837 -10.761 0.120 1.00 0.00 C ATOM 291 O PRO A 32 -0.269 -10.652 -0.967 1.00 0.00 O ATOM 292 CB PRO A 32 0.349 -12.244 1.747 1.00 0.00 C ATOM 293 CG PRO A 32 0.617 -13.745 1.758 1.00 0.00 C ATOM 294 CD PRO A 32 0.237 -14.204 0.350 1.00 0.00 C ATOM 0 HA PRO A 32 -1.805 -12.163 1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.197 -11.687 1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.159 -11.862 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.662 -13.961 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.020 -14.251 2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.110 -14.237 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.188 -15.207 0.365 1.00 0.00 H new ATOM 302 N VAL A 33 -1.445 -9.749 0.720 1.00 0.00 N ATOM 303 CA VAL A 33 -1.619 -8.452 0.036 1.00 0.00 C ATOM 304 C VAL A 33 -1.082 -7.286 0.872 1.00 0.00 C ATOM 305 O VAL A 33 -1.240 -7.208 2.087 1.00 0.00 O ATOM 306 CB VAL A 33 -3.109 -8.262 -0.329 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.373 -6.954 -1.063 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.624 -9.394 -1.217 1.00 0.00 C ATOM 0 H VAL A 33 -1.826 -9.787 1.666 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.031 -8.459 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.633 -8.256 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.435 -6.874 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.075 -6.116 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.798 -6.934 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.675 -9.223 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.046 -9.423 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.519 -10.344 -0.693 1.00 0.00 H new ATOM 318 N MET A 34 -0.563 -6.325 0.111 1.00 0.00 N ATOM 319 CA MET A 34 -0.057 -5.057 0.629 1.00 0.00 C ATOM 320 C MET A 34 -0.703 -3.885 -0.109 1.00 0.00 C ATOM 321 O MET A 34 -0.644 -3.787 -1.334 1.00 0.00 O ATOM 322 CB MET A 34 1.454 -5.051 0.432 1.00 0.00 C ATOM 323 CG MET A 34 2.039 -3.970 1.314 1.00 0.00 C ATOM 324 SD MET A 34 3.865 -3.928 1.322 1.00 0.00 S ATOM 325 CE MET A 34 4.232 -5.486 2.088 1.00 0.00 C ATOM 0 H MET A 34 -0.481 -6.408 -0.902 1.00 0.00 H new ATOM 0 HA MET A 34 -0.300 -4.950 1.686 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.875 -6.022 0.690 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.701 -4.864 -0.613 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.665 -3.002 0.982 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.684 -4.116 2.334 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.703 -5.314 3.056 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.309 -6.049 2.228 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.910 -6.054 1.451 1.00 0.00 H new ATOM 335 N VAL A 35 -1.262 -2.976 0.670 1.00 0.00 N ATOM 336 CA VAL A 35 -2.005 -1.841 0.112 1.00 0.00 C ATOM 337 C VAL A 35 -1.515 -0.457 0.552 1.00 0.00 C ATOM 338 O VAL A 35 -1.700 -0.062 1.700 1.00 0.00 O ATOM 339 CB VAL A 35 -3.503 -1.982 0.375 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.084 -3.053 -0.555 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.884 -2.295 1.823 1.00 0.00 C ATOM 0 H VAL A 35 -1.220 -2.994 1.689 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.808 -1.888 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.930 -1.000 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.153 -3.155 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.923 -2.760 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.590 -4.006 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.968 -2.375 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.427 -3.238 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.529 -1.496 2.474 1.00 0.00 H new ATOM 351 N ASP A 36 -1.026 0.278 -0.431 1.00 0.00 N ATOM 352 CA ASP A 36 -0.604 1.678 -0.214 1.00 0.00 C ATOM 353 C ASP A 36 -1.751 2.626 -0.576 1.00 0.00 C ATOM 354 O ASP A 36 -2.386 2.495 -1.617 1.00 0.00 O ATOM 355 CB ASP A 36 0.660 2.071 -0.992 1.00 0.00 C ATOM 356 CG ASP A 36 0.584 2.071 -2.524 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.621 3.190 -3.068 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.648 0.962 -3.096 1.00 0.00 O ATOM 0 H ASP A 36 -0.906 -0.056 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.353 1.764 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.954 3.070 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.460 1.393 -0.696 1.00 0.00 H new ATOM 364 N PHE A 37 -2.076 3.473 0.387 1.00 0.00 N ATOM 365 CA PHE A 37 -3.112 4.500 0.206 1.00 0.00 C ATOM 366 C PHE A 37 -2.452 5.821 -0.176 1.00 0.00 C ATOM 367 O PHE A 37 -1.705 6.416 0.609 1.00 0.00 O ATOM 368 CB PHE A 37 -3.951 4.682 1.482 1.00 0.00 C ATOM 369 CG PHE A 37 -4.848 3.490 1.853 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.487 2.146 1.593 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.102 3.782 2.446 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.376 1.095 1.875 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.997 2.726 2.749 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.633 1.403 2.442 1.00 0.00 C ATOM 0 H PHE A 37 -1.640 3.476 1.309 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.783 4.176 -0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.277 4.882 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.579 5.565 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.517 1.926 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.374 4.804 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.104 0.072 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.950 2.935 3.212 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.330 0.604 2.644 1.00 0.00 H new ATOM 384 N TRP A 38 -2.729 6.211 -1.411 1.00 0.00 N ATOM 385 CA TRP A 38 -2.157 7.432 -2.003 1.00 0.00 C ATOM 386 C TRP A 38 -3.231 8.530 -2.001 1.00 0.00 C ATOM 387 O TRP A 38 -4.434 8.233 -1.972 1.00 0.00 O ATOM 388 CB TRP A 38 -1.618 7.150 -3.417 1.00 0.00 C ATOM 389 CG TRP A 38 -2.689 7.021 -4.511 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.341 5.906 -4.796 1.00 0.00 C ATOM 391 CD2 TRP A 38 -3.181 8.014 -5.343 1.00 0.00 C ATOM 392 NE1 TRP A 38 -4.193 6.112 -5.795 1.00 0.00 N ATOM 393 CE2 TRP A 38 -4.182 7.398 -6.117 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.962 9.406 -5.454 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -5.004 8.164 -6.973 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.761 10.156 -6.322 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.784 9.553 -7.071 1.00 0.00 C ATOM 0 H TRP A 38 -3.352 5.700 -2.036 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.309 7.774 -1.410 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.933 7.951 -3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -1.036 6.229 -3.390 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.201 4.963 -4.289 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.764 5.395 -6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.186 9.885 -4.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.790 7.692 -7.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.588 11.218 -6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.402 10.153 -7.722 1.00 0.00 H new ATOM 408 N ALA A 39 -2.810 9.767 -2.198 1.00 0.00 N ATOM 409 CA ALA A 39 -3.735 10.913 -2.044 1.00 0.00 C ATOM 410 C ALA A 39 -3.649 11.843 -3.254 1.00 0.00 C ATOM 411 O ALA A 39 -2.541 12.086 -3.734 1.00 0.00 O ATOM 412 CB ALA A 39 -3.387 11.660 -0.758 1.00 0.00 C ATOM 0 H ALA A 39 -1.857 10.017 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.760 10.548 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.063 12.506 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.490 10.987 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.360 12.021 -0.813 1.00 0.00 H new ATOM 418 N PRO A 40 -4.786 12.383 -3.731 1.00 0.00 N ATOM 419 CA PRO A 40 -4.816 13.282 -4.905 1.00 0.00 C ATOM 420 C PRO A 40 -3.891 14.502 -4.781 1.00 0.00 C ATOM 421 O PRO A 40 -3.132 14.794 -5.708 1.00 0.00 O ATOM 422 CB PRO A 40 -6.284 13.634 -5.089 1.00 0.00 C ATOM 423 CG PRO A 40 -6.900 13.422 -3.715 1.00 0.00 C ATOM 424 CD PRO A 40 -6.135 12.217 -3.157 1.00 0.00 C ATOM 0 HA PRO A 40 -4.413 12.791 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.406 14.664 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.754 12.997 -5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.779 14.301 -3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.969 13.222 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.113 12.223 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.590 11.274 -3.462 1.00 0.00 H new ATOM 432 N TRP A 41 -3.791 15.039 -3.565 1.00 0.00 N ATOM 433 CA TRP A 41 -2.850 16.136 -3.228 1.00 0.00 C ATOM 434 C TRP A 41 -1.353 15.772 -3.272 1.00 0.00 C ATOM 435 O TRP A 41 -0.509 16.652 -3.397 1.00 0.00 O ATOM 436 CB TRP A 41 -3.275 16.799 -1.913 1.00 0.00 C ATOM 437 CG TRP A 41 -3.731 15.830 -0.818 1.00 0.00 C ATOM 438 CD1 TRP A 41 -4.980 15.733 -0.381 1.00 0.00 C ATOM 439 CD2 TRP A 41 -2.920 15.174 0.103 1.00 0.00 C ATOM 440 NE1 TRP A 41 -5.005 15.115 0.800 1.00 0.00 N ATOM 441 CE2 TRP A 41 -3.767 14.765 1.149 1.00 0.00 C ATOM 442 CE3 TRP A 41 -1.555 14.847 0.103 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -3.249 14.051 2.243 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -1.041 14.104 1.184 1.00 0.00 C ATOM 445 CH2 TRP A 41 -1.884 13.731 2.259 1.00 0.00 C ATOM 0 H TRP A 41 -4.358 14.732 -2.774 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.930 16.864 -4.035 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.439 17.386 -1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.086 17.497 -2.121 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -5.849 16.101 -0.905 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.844 14.937 1.352 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.913 15.158 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.892 13.754 3.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.000 13.818 1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.471 13.194 3.100 1.00 0.00 H new ATOM 456 N CYS A 42 -1.051 14.477 -3.194 1.00 0.00 N ATOM 457 CA CYS A 42 0.311 13.942 -3.386 1.00 0.00 C ATOM 458 C CYS A 42 0.635 13.651 -4.875 1.00 0.00 C ATOM 459 O CYS A 42 1.699 13.129 -5.198 1.00 0.00 O ATOM 460 CB CYS A 42 0.446 12.676 -2.521 1.00 0.00 C ATOM 461 SG CYS A 42 2.051 11.811 -2.617 1.00 0.00 S ATOM 0 H CYS A 42 -1.745 13.757 -2.994 1.00 0.00 H new ATOM 0 HA CYS A 42 1.037 14.693 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.264 12.949 -1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.339 11.977 -2.809 1.00 0.00 H new ATOM 466 N GLY A 43 -0.340 13.910 -5.749 1.00 0.00 N ATOM 467 CA GLY A 43 -0.256 13.785 -7.228 1.00 0.00 C ATOM 468 C GLY A 43 0.309 12.441 -7.731 1.00 0.00 C ATOM 469 O GLY A 43 -0.401 11.436 -7.674 1.00 0.00 O ATOM 0 H GLY A 43 -1.259 14.229 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.252 13.924 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.368 14.592 -7.612 1.00 0.00 H new ATOM 473 N PRO A 44 1.589 12.402 -8.139 1.00 0.00 N ATOM 474 CA PRO A 44 2.256 11.167 -8.612 1.00 0.00 C ATOM 475 C PRO A 44 2.348 9.996 -7.632 1.00 0.00 C ATOM 476 O PRO A 44 2.680 8.890 -8.068 1.00 0.00 O ATOM 477 CB PRO A 44 3.631 11.610 -9.120 1.00 0.00 C ATOM 478 CG PRO A 44 3.898 12.919 -8.378 1.00 0.00 C ATOM 479 CD PRO A 44 2.513 13.560 -8.273 1.00 0.00 C ATOM 0 HA PRO A 44 1.630 10.726 -9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.396 10.865 -8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.629 11.757 -10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.333 12.741 -7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.594 13.555 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.446 14.226 -7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.281 14.156 -9.156 1.00 0.00 H new ATOM 487 N CYS A 45 1.897 10.200 -6.397 1.00 0.00 N ATOM 488 CA CYS A 45 1.823 9.194 -5.310 1.00 0.00 C ATOM 489 C CYS A 45 1.465 7.777 -5.765 1.00 0.00 C ATOM 490 O CYS A 45 2.254 6.846 -5.588 1.00 0.00 O ATOM 491 CB CYS A 45 0.794 9.638 -4.269 1.00 0.00 C ATOM 492 SG CYS A 45 1.455 9.867 -2.576 1.00 0.00 S ATOM 0 H CYS A 45 1.553 11.113 -6.100 1.00 0.00 H new ATOM 0 HA CYS A 45 2.831 9.143 -4.899 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.348 10.576 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.007 8.899 -4.233 1.00 0.00 H new ATOM 497 N LYS A 46 0.441 7.746 -6.605 1.00 0.00 N ATOM 498 CA LYS A 46 -0.149 6.543 -7.236 1.00 0.00 C ATOM 499 C LYS A 46 0.902 5.663 -7.930 1.00 0.00 C ATOM 500 O LYS A 46 1.264 4.590 -7.438 1.00 0.00 O ATOM 501 CB LYS A 46 -1.215 7.056 -8.199 1.00 0.00 C ATOM 502 CG LYS A 46 -2.035 5.902 -8.748 1.00 0.00 C ATOM 503 CD LYS A 46 -3.145 6.445 -9.631 1.00 0.00 C ATOM 504 CE LYS A 46 -3.871 5.291 -10.330 1.00 0.00 C ATOM 505 NZ LYS A 46 -2.943 4.649 -11.260 1.00 0.00 N ATOM 0 H LYS A 46 -0.038 8.601 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.587 5.885 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.868 7.762 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.743 7.597 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.397 5.228 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.459 5.321 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.851 7.019 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.730 7.127 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.229 4.570 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.745 5.663 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.381 4.588 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.069 5.209 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.718 3.692 -10.921 1.00 0.00 H new ATOM 519 N LEU A 47 1.476 6.201 -9.007 1.00 0.00 N ATOM 520 CA LEU A 47 2.449 5.507 -9.856 1.00 0.00 C ATOM 521 C LEU A 47 3.813 5.272 -9.188 1.00 0.00 C ATOM 522 O LEU A 47 4.406 4.206 -9.372 1.00 0.00 O ATOM 523 CB LEU A 47 2.621 6.290 -11.157 1.00 0.00 C ATOM 524 CG LEU A 47 1.340 6.207 -11.985 1.00 0.00 C ATOM 525 CD1 LEU A 47 1.263 7.362 -12.983 1.00 0.00 C ATOM 526 CD2 LEU A 47 1.202 4.849 -12.665 1.00 0.00 C ATOM 0 H LEU A 47 1.274 7.150 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 47 2.047 4.512 -10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.856 7.331 -10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.459 5.888 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 47 0.491 6.305 -11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.343 7.282 -13.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.272 8.310 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.119 7.319 -13.656 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.280 4.825 -13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.052 4.686 -13.327 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.175 4.064 -11.909 1.00 0.00 H new ATOM 538 N ILE A 48 4.235 6.211 -8.361 1.00 0.00 N ATOM 539 CA ILE A 48 5.548 6.096 -7.704 1.00 0.00 C ATOM 540 C ILE A 48 5.632 5.023 -6.603 1.00 0.00 C ATOM 541 O ILE A 48 6.548 4.213 -6.648 1.00 0.00 O ATOM 542 CB ILE A 48 6.200 7.428 -7.268 1.00 0.00 C ATOM 543 CG1 ILE A 48 5.332 8.233 -6.303 1.00 0.00 C ATOM 544 CG2 ILE A 48 6.587 8.216 -8.524 1.00 0.00 C ATOM 545 CD1 ILE A 48 6.124 9.283 -5.505 1.00 0.00 C ATOM 0 H ILE A 48 3.708 7.051 -8.124 1.00 0.00 H new ATOM 0 HA ILE A 48 6.167 5.734 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 48 7.101 7.209 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.543 8.733 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.844 7.550 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.049 9.160 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.293 7.633 -9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.695 8.416 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.448 9.819 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.896 8.787 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.590 9.988 -6.194 1.00 0.00 H new ATOM 557 N ALA A 49 4.622 4.968 -5.724 1.00 0.00 N ATOM 558 CA ALA A 49 4.549 4.039 -4.558 1.00 0.00 C ATOM 559 C ALA A 49 5.938 3.539 -4.088 1.00 0.00 C ATOM 560 O ALA A 49 6.077 2.363 -3.775 1.00 0.00 O ATOM 561 CB ALA A 49 3.501 2.989 -4.937 1.00 0.00 C ATOM 0 H ALA A 49 3.807 5.578 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 49 4.219 4.527 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.395 2.271 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.544 3.479 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.818 2.469 -5.841 1.00 0.00 H new ATOM 567 N PRO A 50 6.851 4.462 -3.718 1.00 0.00 N ATOM 568 CA PRO A 50 8.290 4.163 -3.558 1.00 0.00 C ATOM 569 C PRO A 50 8.617 2.971 -2.647 1.00 0.00 C ATOM 570 O PRO A 50 9.101 1.945 -3.141 1.00 0.00 O ATOM 571 CB PRO A 50 8.905 5.434 -2.995 1.00 0.00 C ATOM 572 CG PRO A 50 7.916 6.538 -3.387 1.00 0.00 C ATOM 573 CD PRO A 50 6.559 5.835 -3.262 1.00 0.00 C ATOM 0 HA PRO A 50 8.693 3.866 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.025 5.373 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.894 5.618 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.988 7.400 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.093 6.899 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.190 5.849 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.799 6.312 -3.881 1.00 0.00 H new ATOM 581 N VAL A 51 8.322 3.088 -1.351 1.00 0.00 N ATOM 582 CA VAL A 51 8.552 2.004 -0.370 1.00 0.00 C ATOM 583 C VAL A 51 7.856 0.692 -0.770 1.00 0.00 C ATOM 584 O VAL A 51 8.476 -0.366 -0.773 1.00 0.00 O ATOM 585 CB VAL A 51 8.188 2.490 1.045 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.366 1.387 2.097 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.071 3.677 1.467 1.00 0.00 C ATOM 0 H VAL A 51 7.918 3.931 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 51 9.614 1.759 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 51 7.140 2.787 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.098 1.775 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.721 0.543 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.405 1.059 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.792 4.000 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.117 3.372 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.930 4.502 0.768 1.00 0.00 H new ATOM 597 N ILE A 52 6.627 0.805 -1.267 1.00 0.00 N ATOM 598 CA ILE A 52 5.848 -0.329 -1.786 1.00 0.00 C ATOM 599 C ILE A 52 6.484 -0.998 -3.006 1.00 0.00 C ATOM 600 O ILE A 52 6.636 -2.212 -3.056 1.00 0.00 O ATOM 601 CB ILE A 52 4.429 0.254 -2.022 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.732 0.513 -0.690 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.553 -0.472 -3.048 1.00 0.00 C ATOM 604 CD1 ILE A 52 3.748 -0.690 0.253 1.00 0.00 C ATOM 0 H ILE A 52 6.133 1.696 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 52 5.811 -1.163 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 52 4.590 1.209 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.213 1.358 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.698 0.801 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.588 0.030 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.045 -0.459 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.401 -1.504 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.235 -0.433 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.241 -1.531 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.779 -0.966 0.474 1.00 0.00 H new ATOM 616 N ASP A 53 6.982 -0.138 -3.887 1.00 0.00 N ATOM 617 CA ASP A 53 7.746 -0.561 -5.082 1.00 0.00 C ATOM 618 C ASP A 53 9.011 -1.357 -4.691 1.00 0.00 C ATOM 619 O ASP A 53 9.440 -2.278 -5.385 1.00 0.00 O ATOM 620 CB ASP A 53 8.123 0.666 -5.920 1.00 0.00 C ATOM 621 CG ASP A 53 8.817 0.312 -7.242 1.00 0.00 C ATOM 622 OD1 ASP A 53 9.848 0.964 -7.502 1.00 0.00 O ATOM 623 OD2 ASP A 53 8.385 -0.664 -7.896 1.00 0.00 O ATOM 0 H ASP A 53 6.874 0.873 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 53 7.113 -1.220 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.222 1.241 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.780 1.309 -5.334 1.00 0.00 H new ATOM 629 N GLU A 54 9.585 -0.940 -3.576 1.00 0.00 N ATOM 630 CA GLU A 54 10.723 -1.621 -2.960 1.00 0.00 C ATOM 631 C GLU A 54 10.359 -2.953 -2.309 1.00 0.00 C ATOM 632 O GLU A 54 10.950 -3.982 -2.623 1.00 0.00 O ATOM 633 CB GLU A 54 11.375 -0.793 -1.858 1.00 0.00 C ATOM 634 CG GLU A 54 11.996 0.525 -2.346 1.00 0.00 C ATOM 635 CD GLU A 54 12.506 1.318 -1.148 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.769 2.234 -0.711 1.00 0.00 O ATOM 637 OE2 GLU A 54 13.617 0.993 -0.686 1.00 0.00 O ATOM 0 H GLU A 54 9.276 -0.113 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 54 11.402 -1.778 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.628 -0.570 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.150 -1.392 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.815 0.321 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.256 1.108 -2.894 1.00 0.00 H new ATOM 645 N LEU A 55 9.282 -2.947 -1.515 1.00 0.00 N ATOM 646 CA LEU A 55 8.741 -4.179 -0.899 1.00 0.00 C ATOM 647 C LEU A 55 8.257 -5.197 -1.933 1.00 0.00 C ATOM 648 O LEU A 55 8.289 -6.390 -1.697 1.00 0.00 O ATOM 649 CB LEU A 55 7.625 -3.849 0.097 1.00 0.00 C ATOM 650 CG LEU A 55 8.104 -2.934 1.234 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.913 -2.356 1.972 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.060 -3.655 2.199 1.00 0.00 C ATOM 0 H LEU A 55 8.761 -2.102 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 55 9.567 -4.644 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.802 -3.367 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.234 -4.775 0.520 1.00 0.00 H new ATOM 0 HG LEU A 55 8.672 -2.118 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.263 -1.709 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.302 -1.777 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.317 -3.166 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.371 -2.967 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.551 -4.509 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.937 -4.001 1.652 1.00 0.00 H new ATOM 664 N ALA A 56 8.002 -4.687 -3.139 1.00 0.00 N ATOM 665 CA ALA A 56 7.663 -5.472 -4.332 1.00 0.00 C ATOM 666 C ALA A 56 8.846 -6.361 -4.754 1.00 0.00 C ATOM 667 O ALA A 56 8.792 -7.566 -4.559 1.00 0.00 O ATOM 668 CB ALA A 56 7.263 -4.511 -5.464 1.00 0.00 C ATOM 0 H ALA A 56 8.026 -3.684 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 56 6.825 -6.132 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.009 -5.085 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.400 -3.922 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.096 -3.844 -5.687 1.00 0.00 H new ATOM 674 N LYS A 57 9.999 -5.718 -5.001 1.00 0.00 N ATOM 675 CA LYS A 57 11.250 -6.439 -5.352 1.00 0.00 C ATOM 676 C LYS A 57 11.852 -7.239 -4.193 1.00 0.00 C ATOM 677 O LYS A 57 12.502 -8.251 -4.406 1.00 0.00 O ATOM 678 CB LYS A 57 12.276 -5.525 -6.051 1.00 0.00 C ATOM 679 CG LYS A 57 12.524 -4.191 -5.346 1.00 0.00 C ATOM 680 CD LYS A 57 13.496 -3.327 -6.139 1.00 0.00 C ATOM 681 CE LYS A 57 13.581 -1.917 -5.546 1.00 0.00 C ATOM 682 NZ LYS A 57 14.464 -1.102 -6.393 1.00 0.00 N ATOM 0 H LYS A 57 10.099 -4.703 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 57 10.956 -7.192 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.223 -6.059 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.933 -5.326 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.580 -3.661 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.923 -4.372 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.484 -3.787 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.174 -3.270 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.589 -1.469 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.967 -1.958 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.531 -0.141 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.411 -1.531 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.076 -1.057 -7.357 1.00 0.00 H new ATOM 696 N GLU A 58 11.546 -6.767 -2.980 1.00 0.00 N ATOM 697 CA GLU A 58 11.873 -7.445 -1.717 1.00 0.00 C ATOM 698 C GLU A 58 11.113 -8.765 -1.552 1.00 0.00 C ATOM 699 O GLU A 58 11.716 -9.822 -1.417 1.00 0.00 O ATOM 700 CB GLU A 58 11.610 -6.511 -0.532 1.00 0.00 C ATOM 701 CG GLU A 58 12.802 -5.614 -0.235 1.00 0.00 C ATOM 702 CD GLU A 58 12.509 -4.583 0.855 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.083 -3.469 0.483 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.754 -4.896 2.043 1.00 0.00 O ATOM 0 H GLU A 58 11.054 -5.884 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 58 12.934 -7.694 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.737 -5.894 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.374 -7.104 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.647 -6.230 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.099 -5.097 -1.148 1.00 0.00 H new ATOM 712 N TYR A 59 9.786 -8.684 -1.688 1.00 0.00 N ATOM 713 CA TYR A 59 8.906 -9.854 -1.574 1.00 0.00 C ATOM 714 C TYR A 59 8.273 -10.255 -2.905 1.00 0.00 C ATOM 715 O TYR A 59 7.051 -10.388 -3.039 1.00 0.00 O ATOM 716 CB TYR A 59 7.828 -9.583 -0.520 1.00 0.00 C ATOM 717 CG TYR A 59 8.381 -9.327 0.875 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.158 -10.317 1.496 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.430 -7.970 1.250 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.100 -9.929 2.453 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.378 -7.570 2.202 1.00 0.00 C ATOM 722 CZ TYR A 59 10.221 -8.548 2.749 1.00 0.00 C ATOM 723 OH TYR A 59 11.388 -8.134 3.294 1.00 0.00 O ATOM 0 H TYR A 59 9.293 -7.812 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 59 9.522 -10.698 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.239 -8.720 -0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.150 -10.435 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.031 -11.358 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.751 -7.253 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.718 -10.660 2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.457 -6.537 2.506 1.00 0.00 H new ATOM 0 HH TYR A 59 11.751 -7.392 2.766 1.00 0.00 H new ATOM 733 N SER A 60 9.162 -10.464 -3.864 1.00 0.00 N ATOM 734 CA SER A 60 8.824 -10.961 -5.217 1.00 0.00 C ATOM 735 C SER A 60 8.031 -12.275 -5.150 1.00 0.00 C ATOM 736 O SER A 60 8.513 -13.292 -4.669 1.00 0.00 O ATOM 737 CB SER A 60 10.109 -11.164 -6.033 1.00 0.00 C ATOM 738 OG SER A 60 10.701 -9.887 -6.282 1.00 0.00 O ATOM 0 H SER A 60 10.160 -10.294 -3.736 1.00 0.00 H new ATOM 0 HA SER A 60 8.196 -10.215 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.805 -11.803 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.884 -11.666 -6.974 1.00 0.00 H new ATOM 0 HG SER A 60 11.211 -9.604 -5.494 1.00 0.00 H new ATOM 744 N GLY A 61 6.713 -12.101 -5.334 1.00 0.00 N ATOM 745 CA GLY A 61 5.722 -13.199 -5.286 1.00 0.00 C ATOM 746 C GLY A 61 4.863 -13.205 -4.002 1.00 0.00 C ATOM 747 O GLY A 61 3.660 -13.411 -4.072 1.00 0.00 O ATOM 0 H GLY A 61 6.297 -11.189 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.065 -13.121 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.245 -14.152 -5.367 1.00 0.00 H new ATOM 751 N LYS A 62 5.467 -12.804 -2.893 1.00 0.00 N ATOM 752 CA LYS A 62 4.856 -12.827 -1.541 1.00 0.00 C ATOM 753 C LYS A 62 3.628 -11.937 -1.353 1.00 0.00 C ATOM 754 O LYS A 62 2.603 -12.388 -0.860 1.00 0.00 O ATOM 755 CB LYS A 62 5.873 -12.386 -0.499 1.00 0.00 C ATOM 756 CG LYS A 62 7.062 -13.333 -0.572 1.00 0.00 C ATOM 757 CD LYS A 62 7.151 -14.096 0.725 1.00 0.00 C ATOM 758 CE LYS A 62 8.281 -15.075 0.519 1.00 0.00 C ATOM 759 NZ LYS A 62 8.422 -15.671 1.831 1.00 0.00 N ATOM 0 H LYS A 62 6.420 -12.442 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 62 4.534 -13.861 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.191 -11.360 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.431 -12.405 0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.946 -14.022 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.981 -12.773 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.353 -13.429 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.216 -14.611 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.040 -15.819 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.196 -14.577 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.186 -16.376 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.650 -14.931 2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.531 -16.134 2.099 1.00 0.00 H new ATOM 773 N ILE A 63 3.842 -10.652 -1.601 1.00 0.00 N ATOM 774 CA ILE A 63 2.802 -9.649 -1.360 1.00 0.00 C ATOM 775 C ILE A 63 2.334 -8.918 -2.612 1.00 0.00 C ATOM 776 O ILE A 63 3.113 -8.412 -3.411 1.00 0.00 O ATOM 777 CB ILE A 63 3.136 -8.705 -0.194 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.563 -8.146 -0.228 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.882 -9.392 1.145 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.727 -6.959 -1.191 1.00 0.00 C ATOM 0 H ILE A 63 4.717 -10.277 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 63 1.932 -10.223 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 63 2.468 -7.851 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.847 -7.832 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.250 -8.940 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.125 -8.707 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.833 -9.679 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.507 -10.282 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.760 -6.611 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.473 -7.274 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.064 -6.149 -0.886 1.00 0.00 H new ATOM 792 N ALA A 64 1.025 -9.000 -2.795 1.00 0.00 N ATOM 793 CA ALA A 64 0.291 -8.313 -3.874 1.00 0.00 C ATOM 794 C ALA A 64 0.130 -6.828 -3.541 1.00 0.00 C ATOM 795 O ALA A 64 -0.727 -6.407 -2.752 1.00 0.00 O ATOM 796 CB ALA A 64 -1.054 -8.995 -4.106 1.00 0.00 C ATOM 0 H ALA A 64 0.420 -9.556 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 64 0.860 -8.380 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.590 -8.481 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.891 -10.035 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.644 -8.957 -3.190 1.00 0.00 H new ATOM 802 N VAL A 65 1.098 -6.092 -4.055 1.00 0.00 N ATOM 803 CA VAL A 65 1.262 -4.628 -3.890 1.00 0.00 C ATOM 804 C VAL A 65 0.252 -3.836 -4.730 1.00 0.00 C ATOM 805 O VAL A 65 0.208 -4.010 -5.937 1.00 0.00 O ATOM 806 CB VAL A 65 2.713 -4.233 -4.217 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.562 -4.217 -2.944 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.392 -4.995 -5.357 1.00 0.00 C ATOM 0 H VAL A 65 1.835 -6.502 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 65 1.055 -4.372 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 65 2.637 -3.224 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.585 -3.936 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.148 -3.495 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.558 -5.209 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.409 -4.624 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.422 -6.058 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.830 -4.847 -6.279 1.00 0.00 H new ATOM 818 N TYR A 66 -0.661 -3.155 -4.039 1.00 0.00 N ATOM 819 CA TYR A 66 -1.760 -2.389 -4.648 1.00 0.00 C ATOM 820 C TYR A 66 -1.815 -0.951 -4.121 1.00 0.00 C ATOM 821 O TYR A 66 -1.588 -0.711 -2.934 1.00 0.00 O ATOM 822 CB TYR A 66 -3.094 -3.034 -4.289 1.00 0.00 C ATOM 823 CG TYR A 66 -3.299 -4.504 -4.648 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.685 -5.136 -5.752 1.00 0.00 C ATOM 825 CD2 TYR A 66 -4.330 -5.136 -3.923 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.151 -6.410 -6.166 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.777 -6.396 -4.342 1.00 0.00 C ATOM 828 CZ TYR A 66 -4.200 -7.019 -5.464 1.00 0.00 C ATOM 829 OH TYR A 66 -4.786 -8.149 -5.943 1.00 0.00 O ATOM 0 H TYR A 66 -0.662 -3.116 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.582 -2.383 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.237 -2.930 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.884 -2.459 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.871 -4.655 -6.274 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.768 -4.657 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.702 -6.906 -7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.569 -6.892 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.473 -8.453 -5.314 1.00 0.00 H new ATOM 839 N LYS A 67 -2.339 -0.054 -4.955 1.00 0.00 N ATOM 840 CA LYS A 67 -2.558 1.346 -4.534 1.00 0.00 C ATOM 841 C LYS A 67 -4.030 1.780 -4.572 1.00 0.00 C ATOM 842 O LYS A 67 -4.754 1.585 -5.548 1.00 0.00 O ATOM 843 CB LYS A 67 -1.660 2.371 -5.248 1.00 0.00 C ATOM 844 CG LYS A 67 -1.992 2.678 -6.713 1.00 0.00 C ATOM 845 CD LYS A 67 -1.629 1.521 -7.650 1.00 0.00 C ATOM 846 CE LYS A 67 -1.620 1.958 -9.110 1.00 0.00 C ATOM 847 NZ LYS A 67 -0.433 2.784 -9.382 1.00 0.00 N ATOM 0 H LYS A 67 -2.619 -0.258 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.251 1.343 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.699 3.305 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.632 2.013 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.056 2.895 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.456 3.575 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.648 1.130 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.343 0.708 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.621 1.083 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.525 2.522 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.634 3.432 -10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.192 3.335 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.367 2.170 -9.635 1.00 0.00 H new ATOM 861 N LEU A 68 -4.474 2.148 -3.378 1.00 0.00 N ATOM 862 CA LEU A 68 -5.829 2.643 -3.137 1.00 0.00 C ATOM 863 C LEU A 68 -5.950 4.156 -3.385 1.00 0.00 C ATOM 864 O LEU A 68 -5.378 4.995 -2.687 1.00 0.00 O ATOM 865 CB LEU A 68 -6.318 2.266 -1.738 1.00 0.00 C ATOM 866 CG LEU A 68 -7.810 2.603 -1.656 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.642 1.344 -1.483 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.081 3.635 -0.560 1.00 0.00 C ATOM 0 H LEU A 68 -3.899 2.112 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.479 2.152 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.155 1.205 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.760 2.814 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.113 3.057 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.698 1.610 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.479 0.681 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.347 0.836 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.148 3.856 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.760 3.236 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.528 4.549 -0.776 1.00 0.00 H new ATOM 880 N ASN A 69 -6.837 4.428 -4.326 1.00 0.00 N ATOM 881 CA ASN A 69 -7.216 5.795 -4.703 1.00 0.00 C ATOM 882 C ASN A 69 -8.207 6.292 -3.653 1.00 0.00 C ATOM 883 O ASN A 69 -9.375 5.931 -3.640 1.00 0.00 O ATOM 884 CB ASN A 69 -7.808 5.793 -6.111 1.00 0.00 C ATOM 885 CG ASN A 69 -6.848 5.313 -7.213 1.00 0.00 C ATOM 886 OD1 ASN A 69 -6.087 4.367 -7.081 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.958 5.866 -8.398 1.00 0.00 N ATOM 0 H ASN A 69 -7.323 3.707 -4.859 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.357 6.465 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.693 5.157 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.140 6.803 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.415 5.504 -9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.587 6.657 -8.535 1.00 0.00 H new ATOM 894 N THR A 70 -7.644 6.991 -2.671 1.00 0.00 N ATOM 895 CA THR A 70 -8.418 7.537 -1.532 1.00 0.00 C ATOM 896 C THR A 70 -9.662 8.337 -1.931 1.00 0.00 C ATOM 897 O THR A 70 -10.765 8.045 -1.460 1.00 0.00 O ATOM 898 CB THR A 70 -7.528 8.395 -0.646 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.792 9.318 -1.456 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.612 7.498 0.201 1.00 0.00 C ATOM 0 H THR A 70 -6.646 7.200 -2.631 1.00 0.00 H new ATOM 0 HA THR A 70 -8.778 6.663 -0.988 1.00 0.00 H new ATOM 0 HB THR A 70 -8.136 8.978 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.053 8.849 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.978 8.119 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.220 6.845 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.988 6.892 -0.456 1.00 0.00 H new ATOM 908 N ASP A 71 -9.497 9.131 -2.984 1.00 0.00 N ATOM 909 CA ASP A 71 -10.591 9.919 -3.597 1.00 0.00 C ATOM 910 C ASP A 71 -11.696 9.034 -4.214 1.00 0.00 C ATOM 911 O ASP A 71 -12.832 9.473 -4.387 1.00 0.00 O ATOM 912 CB ASP A 71 -10.058 10.924 -4.624 1.00 0.00 C ATOM 913 CG ASP A 71 -9.238 10.289 -5.748 1.00 0.00 C ATOM 914 OD1 ASP A 71 -9.858 9.875 -6.751 1.00 0.00 O ATOM 915 OD2 ASP A 71 -8.012 10.126 -5.520 1.00 0.00 O ATOM 0 H ASP A 71 -8.598 9.255 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.052 10.477 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.899 11.462 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.441 11.661 -4.110 1.00 0.00 H new ATOM 921 N GLU A 72 -11.300 7.824 -4.609 1.00 0.00 N ATOM 922 CA GLU A 72 -12.206 6.792 -5.145 1.00 0.00 C ATOM 923 C GLU A 72 -12.810 5.862 -4.076 1.00 0.00 C ATOM 924 O GLU A 72 -13.702 5.071 -4.372 1.00 0.00 O ATOM 925 CB GLU A 72 -11.413 5.951 -6.133 1.00 0.00 C ATOM 926 CG GLU A 72 -11.730 6.385 -7.560 1.00 0.00 C ATOM 927 CD GLU A 72 -10.853 5.616 -8.547 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.703 6.071 -8.730 1.00 0.00 O ATOM 929 OE2 GLU A 72 -11.324 4.590 -9.071 1.00 0.00 O ATOM 0 H GLU A 72 -10.326 7.522 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.048 7.309 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.346 6.059 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.656 4.896 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.782 6.204 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.561 7.456 -7.669 1.00 0.00 H new ATOM 937 N ALA A 73 -12.230 5.894 -2.878 1.00 0.00 N ATOM 938 CA ALA A 73 -12.670 5.035 -1.763 1.00 0.00 C ATOM 939 C ALA A 73 -12.963 5.786 -0.453 1.00 0.00 C ATOM 940 O ALA A 73 -12.293 5.556 0.566 1.00 0.00 O ATOM 941 CB ALA A 73 -11.643 3.901 -1.611 1.00 0.00 C ATOM 0 H ALA A 73 -11.449 6.507 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.646 4.616 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.942 3.247 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.596 3.326 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.662 4.325 -1.397 1.00 0.00 H new ATOM 947 N PRO A 74 -14.101 6.493 -0.379 1.00 0.00 N ATOM 948 CA PRO A 74 -14.505 7.242 0.829 1.00 0.00 C ATOM 949 C PRO A 74 -15.260 6.365 1.858 1.00 0.00 C ATOM 950 O PRO A 74 -16.101 6.825 2.618 1.00 0.00 O ATOM 951 CB PRO A 74 -15.349 8.388 0.264 1.00 0.00 C ATOM 952 CG PRO A 74 -16.070 7.754 -0.927 1.00 0.00 C ATOM 953 CD PRO A 74 -15.061 6.738 -1.479 1.00 0.00 C ATOM 0 HA PRO A 74 -13.655 7.603 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.054 8.768 1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.728 9.228 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.996 7.269 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.334 8.500 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.558 5.815 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.555 7.128 -2.362 1.00 0.00 H new ATOM 961 N GLY A 75 -14.827 5.107 1.928 1.00 0.00 N ATOM 962 CA GLY A 75 -15.351 4.048 2.822 1.00 0.00 C ATOM 963 C GLY A 75 -14.194 3.189 3.359 1.00 0.00 C ATOM 964 O GLY A 75 -13.996 3.093 4.570 1.00 0.00 O ATOM 0 H GLY A 75 -14.065 4.771 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.895 4.498 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.059 3.421 2.280 1.00 0.00 H new ATOM 968 N ILE A 76 -13.363 2.708 2.445 1.00 0.00 N ATOM 969 CA ILE A 76 -12.116 1.991 2.788 1.00 0.00 C ATOM 970 C ILE A 76 -11.195 2.831 3.682 1.00 0.00 C ATOM 971 O ILE A 76 -10.926 2.479 4.824 1.00 0.00 O ATOM 972 CB ILE A 76 -11.423 1.530 1.489 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.310 0.603 0.641 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.072 0.872 1.750 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.862 -0.623 1.374 1.00 0.00 C ATOM 0 H ILE A 76 -13.523 2.797 1.442 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.364 1.109 3.378 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.249 2.441 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.148 1.183 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.734 0.263 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.627 0.566 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.412 1.582 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.210 -0.003 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.474 -1.211 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.035 -1.233 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.471 -0.299 2.218 1.00 0.00 H new ATOM 987 N ALA A 77 -10.879 4.014 3.178 1.00 0.00 N ATOM 988 CA ALA A 77 -10.026 4.999 3.873 1.00 0.00 C ATOM 989 C ALA A 77 -10.494 5.293 5.314 1.00 0.00 C ATOM 990 O ALA A 77 -9.731 5.158 6.267 1.00 0.00 O ATOM 991 CB ALA A 77 -9.997 6.271 3.021 1.00 0.00 C ATOM 0 H ALA A 77 -11.205 4.332 2.265 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.023 4.587 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.374 7.021 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.587 6.041 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.010 6.658 2.910 1.00 0.00 H new ATOM 997 N THR A 78 -11.821 5.402 5.450 1.00 0.00 N ATOM 998 CA THR A 78 -12.542 5.610 6.716 1.00 0.00 C ATOM 999 C THR A 78 -12.267 4.451 7.688 1.00 0.00 C ATOM 1000 O THR A 78 -11.612 4.639 8.710 1.00 0.00 O ATOM 1001 CB THR A 78 -14.024 5.569 6.385 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.287 6.394 5.240 1.00 0.00 O ATOM 1003 CG2 THR A 78 -14.941 5.949 7.552 1.00 0.00 C ATOM 0 H THR A 78 -12.450 5.346 4.649 1.00 0.00 H new ATOM 0 HA THR A 78 -12.229 6.550 7.171 1.00 0.00 H new ATOM 0 HB THR A 78 -14.261 4.529 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.243 6.364 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.981 5.894 7.230 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.780 5.259 8.381 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.715 6.965 7.877 1.00 0.00 H new ATOM 1011 N GLN A 79 -12.657 3.252 7.255 1.00 0.00 N ATOM 1012 CA GLN A 79 -12.631 2.050 8.096 1.00 0.00 C ATOM 1013 C GLN A 79 -11.231 1.559 8.524 1.00 0.00 C ATOM 1014 O GLN A 79 -11.083 0.722 9.407 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.441 0.902 7.475 1.00 0.00 C ATOM 1016 CG GLN A 79 -12.997 0.472 6.081 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.056 -0.306 5.315 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.023 0.224 4.783 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -13.810 -1.583 5.068 1.00 0.00 N ATOM 0 H GLN A 79 -13.001 3.084 6.310 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.108 2.375 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.385 0.039 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.488 1.201 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.723 1.357 5.507 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.100 -0.141 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.009 -2.041 5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.422 -2.109 4.443 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.228 2.153 7.873 1.00 0.00 N ATOM 1029 CA TYR A 80 -8.815 1.861 8.136 1.00 0.00 C ATOM 1030 C TYR A 80 -8.053 3.011 8.826 1.00 0.00 C ATOM 1031 O TYR A 80 -6.840 2.937 9.014 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.168 1.366 6.826 1.00 0.00 C ATOM 1033 CG TYR A 80 -8.776 0.020 6.385 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.087 -0.943 7.379 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.286 -0.096 5.087 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -9.991 -1.982 7.080 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.176 -1.140 4.772 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.527 -2.060 5.784 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.335 -3.128 5.481 1.00 0.00 O ATOM 0 H TYR A 80 -10.373 2.853 7.145 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.751 1.065 8.878 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.312 2.109 6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.093 1.255 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.634 -0.880 8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.997 0.615 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.267 -2.705 7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.582 -1.235 3.776 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.638 -3.056 4.552 1.00 0.00 H new ATOM 1049 N ASN A 81 -8.825 4.024 9.219 1.00 0.00 N ATOM 1050 CA ASN A 81 -8.381 5.186 10.024 1.00 0.00 C ATOM 1051 C ASN A 81 -7.088 5.824 9.471 1.00 0.00 C ATOM 1052 O ASN A 81 -6.065 6.044 10.131 1.00 0.00 O ATOM 1053 CB ASN A 81 -8.301 4.720 11.473 1.00 0.00 C ATOM 1054 CG ASN A 81 -8.309 5.901 12.437 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.333 6.459 12.808 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -7.116 6.329 12.774 1.00 0.00 N ATOM 0 H ASN A 81 -9.816 4.069 8.982 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.096 6.006 9.964 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.143 4.063 11.693 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.393 4.135 11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.019 7.154 13.365 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.286 5.837 12.445 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.189 6.101 8.182 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.105 6.676 7.363 1.00 0.00 C ATOM 1065 C ILE A 82 -6.072 8.186 7.632 1.00 0.00 C ATOM 1066 O ILE A 82 -7.072 8.888 7.553 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.202 6.213 5.880 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.092 7.060 4.985 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.654 4.735 5.779 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.418 8.365 4.541 1.00 0.00 C ATOM 0 H ILE A 82 -8.044 5.933 7.651 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.122 6.299 7.645 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.185 6.337 5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.369 6.481 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.015 7.295 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.712 4.443 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.934 4.098 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.634 4.622 6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.100 8.929 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.165 8.960 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.510 8.134 3.985 1.00 0.00 H new ATOM 1082 N ARG A 83 -4.983 8.515 8.302 1.00 0.00 N ATOM 1083 CA ARG A 83 -4.688 9.904 8.704 1.00 0.00 C ATOM 1084 C ARG A 83 -3.330 10.433 8.221 1.00 0.00 C ATOM 1085 O ARG A 83 -2.973 11.569 8.492 1.00 0.00 O ATOM 1086 CB ARG A 83 -4.718 10.016 10.228 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.114 9.823 10.808 1.00 0.00 C ATOM 1088 CD ARG A 83 -6.069 9.966 12.326 1.00 0.00 C ATOM 1089 NE ARG A 83 -5.195 8.911 12.864 1.00 0.00 N ATOM 1090 CZ ARG A 83 -5.397 8.203 13.980 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -6.559 8.217 14.628 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -4.551 7.271 14.348 1.00 0.00 N ATOM 0 H ARG A 83 -4.273 7.841 8.588 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.459 10.511 8.229 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.046 9.272 10.656 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.339 10.995 10.523 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.798 10.558 10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.497 8.839 10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.691 10.950 12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.071 9.879 12.745 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.351 8.699 12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.333 8.781 14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.676 7.664 15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.726 7.078 13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.718 6.739 15.202 1.00 0.00 H new ATOM 1106 N SER A 84 -2.596 9.582 7.508 1.00 0.00 N ATOM 1107 CA SER A 84 -1.224 9.960 7.117 1.00 0.00 C ATOM 1108 C SER A 84 -0.989 10.172 5.629 1.00 0.00 C ATOM 1109 O SER A 84 -0.902 11.325 5.198 1.00 0.00 O ATOM 1110 CB SER A 84 -0.227 8.983 7.749 1.00 0.00 C ATOM 1111 OG SER A 84 1.105 9.358 7.404 1.00 0.00 O ATOM 0 H SER A 84 -2.903 8.661 7.196 1.00 0.00 H new ATOM 0 HA SER A 84 -1.059 10.961 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.344 8.980 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.430 7.969 7.404 1.00 0.00 H new ATOM 0 HG SER A 84 1.716 9.094 8.123 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.040 9.076 4.872 1.00 0.00 N ATOM 1118 CA ILE A 85 -0.689 8.992 3.442 1.00 0.00 C ATOM 1119 C ILE A 85 0.836 9.179 3.273 1.00 0.00 C ATOM 1120 O ILE A 85 1.352 10.281 3.499 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.530 9.886 2.497 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.046 9.693 2.701 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.125 9.693 1.028 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.553 8.247 2.559 1.00 0.00 C ATOM 0 H ILE A 85 -1.340 8.178 5.250 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.962 7.990 3.110 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.309 10.919 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.311 10.057 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.575 10.318 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.736 10.336 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.074 9.954 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.277 8.652 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.631 8.222 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.328 7.879 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.060 7.614 3.297 1.00 0.00 H new ATOM 1136 N PRO A 86 1.527 8.112 2.845 1.00 0.00 N ATOM 1137 CA PRO A 86 0.944 6.780 2.557 1.00 0.00 C ATOM 1138 C PRO A 86 0.640 5.951 3.807 1.00 0.00 C ATOM 1139 O PRO A 86 1.320 6.051 4.825 1.00 0.00 O ATOM 1140 CB PRO A 86 1.986 6.093 1.662 1.00 0.00 C ATOM 1141 CG PRO A 86 3.313 6.691 2.147 1.00 0.00 C ATOM 1142 CD PRO A 86 2.968 8.131 2.547 1.00 0.00 C ATOM 0 HA PRO A 86 -0.030 6.881 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.966 5.010 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.812 6.303 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.715 6.131 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.068 6.668 1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.546 8.448 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.195 8.829 1.741 1.00 0.00 H new ATOM 1150 N THR A 87 -0.535 5.343 3.766 1.00 0.00 N ATOM 1151 CA THR A 87 -0.988 4.387 4.798 1.00 0.00 C ATOM 1152 C THR A 87 -1.001 3.008 4.143 1.00 0.00 C ATOM 1153 O THR A 87 -1.554 2.835 3.053 1.00 0.00 O ATOM 1154 CB THR A 87 -2.362 4.776 5.352 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.209 6.053 5.980 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.901 3.761 6.371 1.00 0.00 C ATOM 0 H THR A 87 -1.213 5.490 3.019 1.00 0.00 H new ATOM 0 HA THR A 87 -0.316 4.390 5.656 1.00 0.00 H new ATOM 0 HB THR A 87 -3.083 4.801 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.413 6.043 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.877 4.088 6.729 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.998 2.785 5.896 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.211 3.688 7.212 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.303 2.087 4.782 1.00 0.00 N ATOM 1165 CA VAL A 88 -0.184 0.717 4.264 1.00 0.00 C ATOM 1166 C VAL A 88 -0.734 -0.340 5.232 1.00 0.00 C ATOM 1167 O VAL A 88 -0.465 -0.324 6.432 1.00 0.00 O ATOM 1168 CB VAL A 88 1.257 0.451 3.796 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.252 0.457 4.950 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.366 -0.857 3.010 1.00 0.00 C ATOM 0 H VAL A 88 0.192 2.252 5.658 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.826 0.626 3.388 1.00 0.00 H new ATOM 0 HB VAL A 88 1.515 1.275 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.254 0.265 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.232 1.429 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.982 -0.319 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.399 -1.009 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.052 -1.688 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.724 -0.807 2.130 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.608 -1.170 4.676 1.00 0.00 N ATOM 1181 CA LEU A 89 -2.178 -2.312 5.391 1.00 0.00 C ATOM 1182 C LEU A 89 -1.688 -3.648 4.808 1.00 0.00 C ATOM 1183 O LEU A 89 -1.554 -3.821 3.598 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.712 -2.295 5.406 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.278 -1.233 6.338 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.460 0.118 5.636 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.627 -1.709 6.874 1.00 0.00 C ATOM 0 H LEU A 89 -1.943 -1.073 3.718 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.828 -2.220 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.079 -2.119 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.079 -3.275 5.712 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.566 -1.088 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.866 0.843 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.496 0.470 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.147 0.003 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.040 -0.954 7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.313 -1.871 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.493 -2.643 7.420 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.528 -4.577 5.744 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.972 -5.922 5.552 1.00 0.00 C ATOM 1201 C PHE A 90 -2.079 -6.944 5.824 1.00 0.00 C ATOM 1202 O PHE A 90 -2.726 -6.940 6.873 1.00 0.00 O ATOM 1203 CB PHE A 90 0.163 -6.176 6.546 1.00 0.00 C ATOM 1204 CG PHE A 90 1.331 -5.220 6.381 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.240 -3.906 6.893 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.386 -5.592 5.510 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.162 -2.928 6.479 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.323 -4.618 5.124 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.193 -3.289 5.590 1.00 0.00 C ATOM 0 H PHE A 90 -1.796 -4.407 6.713 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.590 -6.010 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.226 -6.091 7.561 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.520 -7.199 6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.464 -3.653 7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.468 -6.607 5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.080 -1.913 6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.142 -4.884 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.896 -2.539 5.259 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.379 -7.611 4.731 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.404 -8.665 4.595 1.00 0.00 C ATOM 1221 C PHE A 91 -2.717 -9.971 4.230 1.00 0.00 C ATOM 1222 O PHE A 91 -1.736 -9.997 3.481 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.332 -8.293 3.438 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.285 -7.146 3.775 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.819 -5.808 3.818 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.654 -7.455 3.926 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.750 -4.774 4.016 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.578 -6.418 4.116 1.00 0.00 C ATOM 1229 CZ PHE A 91 -7.117 -5.093 4.165 1.00 0.00 C ATOM 0 H PHE A 91 -1.894 -7.434 3.851 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.960 -8.766 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.730 -8.014 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.915 -9.169 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.768 -5.587 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.987 -8.482 3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.423 -3.745 4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.630 -6.636 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.828 -4.295 4.321 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.267 -11.029 4.794 1.00 0.00 N ATOM 1240 CA LYS A 92 -2.855 -12.376 4.372 1.00 0.00 C ATOM 1241 C LYS A 92 -4.029 -13.160 3.777 1.00 0.00 C ATOM 1242 O LYS A 92 -4.422 -12.896 2.647 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.065 -13.109 5.460 1.00 0.00 C ATOM 1244 CG LYS A 92 -1.463 -14.410 4.920 1.00 0.00 C ATOM 1245 CD LYS A 92 -0.405 -14.987 5.842 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.999 -15.454 7.172 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.108 -15.796 8.072 1.00 0.00 N ATOM 0 H LYS A 92 -3.979 -10.999 5.524 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.142 -12.276 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.270 -12.464 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.719 -13.330 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.257 -15.143 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.024 -14.224 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.087 -15.826 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.361 -14.235 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.616 -14.669 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.645 -16.319 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.272 -16.068 9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.648 -16.590 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.734 -14.972 8.181 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.747 -13.857 4.645 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.846 -14.780 4.272 1.00 0.00 C ATOM 1263 C ASN A 93 -7.235 -14.104 4.204 1.00 0.00 C ATOM 1264 O ASN A 93 -8.219 -14.655 4.704 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.777 -15.931 5.293 1.00 0.00 C ATOM 1266 CG ASN A 93 -5.957 -15.484 6.754 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -5.162 -14.750 7.332 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.124 -15.747 7.299 1.00 0.00 N ATOM 0 H ASN A 93 -4.591 -13.807 5.652 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.715 -15.145 3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.546 -16.664 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.815 -16.434 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.368 -15.341 8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.785 -16.357 6.819 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.318 -12.976 3.496 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.532 -12.126 3.531 1.00 0.00 C ATOM 1277 C GLY A 94 -8.769 -11.630 4.968 1.00 0.00 C ATOM 1278 O GLY A 94 -9.875 -11.643 5.478 1.00 0.00 O ATOM 0 H GLY A 94 -6.573 -12.624 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.415 -11.278 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.396 -12.692 3.183 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.661 -11.236 5.577 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.583 -10.875 6.999 1.00 0.00 C ATOM 1284 C GLU A 95 -6.464 -9.845 7.103 1.00 0.00 C ATOM 1285 O GLU A 95 -5.359 -10.058 6.592 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.211 -12.121 7.796 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.282 -11.910 9.313 1.00 0.00 C ATOM 1288 CD GLU A 95 -6.771 -13.140 10.062 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.409 -14.203 9.930 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -5.730 -12.994 10.743 1.00 0.00 O ATOM 0 H GLU A 95 -6.767 -11.154 5.093 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.524 -10.481 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.879 -12.936 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.201 -12.430 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.689 -11.039 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.311 -11.702 9.607 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.811 -8.738 7.734 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.880 -7.642 7.963 1.00 0.00 C ATOM 1300 C ARG A 96 -5.209 -7.778 9.333 1.00 0.00 C ATOM 1301 O ARG A 96 -5.828 -8.071 10.344 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.552 -6.275 7.777 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.867 -6.135 8.531 1.00 0.00 C ATOM 1304 CD ARG A 96 -8.759 -5.192 7.721 1.00 0.00 C ATOM 1305 NE ARG A 96 -10.038 -4.970 8.395 1.00 0.00 N ATOM 1306 CZ ARG A 96 -11.246 -5.256 7.906 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -11.425 -5.990 6.808 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -12.330 -4.883 8.555 1.00 0.00 N ATOM 0 H ARG A 96 -7.747 -8.571 8.104 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.096 -7.703 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.867 -5.495 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.732 -6.110 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.346 -7.107 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.696 -5.737 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.250 -4.239 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.934 -5.613 6.731 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.003 -4.557 9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.619 -6.359 6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.368 -6.183 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.248 -4.374 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.252 -5.104 8.178 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.914 -7.930 9.140 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.912 -8.316 10.153 1.00 0.00 C ATOM 1324 C LYS A 97 -2.315 -7.095 10.851 1.00 0.00 C ATOM 1325 O LYS A 97 -2.403 -6.948 12.068 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.796 -9.090 9.425 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.274 -10.014 8.286 1.00 0.00 C ATOM 1328 CD LYS A 97 -3.009 -11.284 8.726 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.124 -12.230 9.544 1.00 0.00 C ATOM 1330 NZ LYS A 97 -2.885 -13.434 9.897 1.00 0.00 N ATOM 0 H LYS A 97 -3.493 -7.782 8.223 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.389 -8.926 10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.086 -8.372 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.256 -9.691 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.933 -9.443 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.408 -10.305 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.881 -11.007 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.377 -11.809 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.238 -12.503 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.777 -11.729 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.355 -13.986 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.806 -13.159 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.035 -14.012 9.046 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.748 -6.192 10.047 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.019 -5.003 10.523 1.00 0.00 C ATOM 1346 C GLU A 98 -1.299 -3.780 9.636 1.00 0.00 C ATOM 1347 O GLU A 98 -1.589 -3.915 8.451 1.00 0.00 O ATOM 1348 CB GLU A 98 0.481 -5.325 10.523 1.00 0.00 C ATOM 1349 CG GLU A 98 1.015 -5.668 11.925 1.00 0.00 C ATOM 1350 CD GLU A 98 0.713 -7.104 12.365 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.383 -7.268 13.558 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.901 -8.025 11.534 1.00 0.00 O ATOM 0 H GLU A 98 -1.780 -6.263 9.030 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.355 -4.756 11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.668 -6.163 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.032 -4.471 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.094 -5.512 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.582 -4.977 12.648 1.00 0.00 H new ATOM 1360 N SER A 99 -1.351 -2.634 10.287 1.00 0.00 N ATOM 1361 CA SER A 99 -1.540 -1.331 9.619 1.00 0.00 C ATOM 1362 C SER A 99 -0.511 -0.284 10.049 1.00 0.00 C ATOM 1363 O SER A 99 -0.469 0.180 11.190 1.00 0.00 O ATOM 1364 CB SER A 99 -2.956 -0.804 9.870 1.00 0.00 C ATOM 1365 OG SER A 99 -3.258 -0.841 11.266 1.00 0.00 O ATOM 0 H SER A 99 -1.264 -2.565 11.301 1.00 0.00 H new ATOM 0 HA SER A 99 -1.393 -1.504 8.553 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.042 0.217 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.678 -1.406 9.318 1.00 0.00 H new ATOM 0 HG SER A 99 -2.487 -0.515 11.776 1.00 0.00 H new ATOM 1371 N ILE A 100 0.383 -0.003 9.105 1.00 0.00 N ATOM 1372 CA ILE A 100 1.402 1.053 9.278 1.00 0.00 C ATOM 1373 C ILE A 100 0.832 2.334 8.658 1.00 0.00 C ATOM 1374 O ILE A 100 0.862 2.549 7.443 1.00 0.00 O ATOM 1375 CB ILE A 100 2.751 0.620 8.674 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.236 -0.759 9.172 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.826 1.690 8.861 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.233 -0.990 10.686 1.00 0.00 C ATOM 0 H ILE A 100 0.430 -0.487 8.208 1.00 0.00 H new ATOM 0 HA ILE A 100 1.616 1.238 10.331 1.00 0.00 H new ATOM 0 HB ILE A 100 2.570 0.507 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.612 -1.525 8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.252 -0.913 8.807 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.762 1.346 8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.512 2.611 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.972 1.877 9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.595 -1.995 10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.883 -0.259 11.167 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.218 -0.880 11.069 1.00 0.00 H new ATOM 1390 N ILE A 101 0.195 3.090 9.542 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.470 4.363 9.207 1.00 0.00 C ATOM 1392 C ILE A 101 0.445 5.361 8.487 1.00 0.00 C ATOM 1393 O ILE A 101 0.022 5.906 7.471 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.179 4.935 10.457 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.208 3.946 11.019 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -1.931 6.226 10.145 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -1.750 3.324 12.336 1.00 0.00 C ATOM 0 H ILE A 101 0.119 2.842 10.528 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.242 4.157 8.466 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.388 5.124 11.182 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.157 4.460 11.172 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.387 3.157 10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.414 6.593 11.050 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.230 6.976 9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.687 6.032 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.511 2.631 12.695 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.815 2.787 12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.597 4.110 13.076 1.00 0.00 H new ATOM 1409 N GLY A 102 1.692 5.495 8.937 1.00 0.00 N ATOM 1410 CA GLY A 102 2.696 6.373 8.304 1.00 0.00 C ATOM 1411 C GLY A 102 3.797 5.516 7.676 1.00 0.00 C ATOM 1412 O GLY A 102 4.728 5.095 8.362 1.00 0.00 O ATOM 0 H GLY A 102 2.044 4.998 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.224 6.994 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.124 7.048 9.045 1.00 0.00 H new ATOM 1416 N ALA A 103 3.588 5.160 6.415 1.00 0.00 N ATOM 1417 CA ALA A 103 4.500 4.288 5.651 1.00 0.00 C ATOM 1418 C ALA A 103 5.777 5.022 5.169 1.00 0.00 C ATOM 1419 O ALA A 103 5.971 5.302 3.985 1.00 0.00 O ATOM 1420 CB ALA A 103 3.723 3.651 4.492 1.00 0.00 C ATOM 0 H ALA A 103 2.776 5.466 5.880 1.00 0.00 H new ATOM 0 HA ALA A 103 4.864 3.503 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.388 3.004 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.896 3.062 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.332 4.434 3.842 1.00 0.00 H new ATOM 1426 N VAL A 104 6.614 5.343 6.148 1.00 0.00 N ATOM 1427 CA VAL A 104 7.886 6.062 5.894 1.00 0.00 C ATOM 1428 C VAL A 104 9.154 5.232 6.250 1.00 0.00 C ATOM 1429 O VAL A 104 10.012 5.125 5.378 1.00 0.00 O ATOM 1430 CB VAL A 104 7.866 7.510 6.443 1.00 0.00 C ATOM 1431 CG1 VAL A 104 9.133 8.287 6.049 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.654 8.302 5.946 1.00 0.00 C ATOM 0 H VAL A 104 6.447 5.123 7.130 1.00 0.00 H new ATOM 0 HA VAL A 104 7.966 6.181 4.813 1.00 0.00 H new ATOM 0 HB VAL A 104 7.814 7.408 7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.080 9.298 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.010 7.781 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.208 8.334 4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.685 9.311 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.675 8.354 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.738 7.806 6.268 1.00 0.00 H new ATOM 1442 N PRO A 105 9.311 4.649 7.456 1.00 0.00 N ATOM 1443 CA PRO A 105 10.491 3.820 7.759 1.00 0.00 C ATOM 1444 C PRO A 105 10.322 2.440 7.127 1.00 0.00 C ATOM 1445 O PRO A 105 9.596 1.581 7.617 1.00 0.00 O ATOM 1446 CB PRO A 105 10.633 3.809 9.278 1.00 0.00 C ATOM 1447 CG PRO A 105 9.215 4.077 9.796 1.00 0.00 C ATOM 1448 CD PRO A 105 8.517 4.857 8.683 1.00 0.00 C ATOM 0 HA PRO A 105 11.415 4.213 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.012 2.851 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.331 4.574 9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.692 3.145 10.010 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.237 4.650 10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.495 4.505 8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.459 5.917 8.931 1.00 0.00 H new ATOM 1456 N LYS A 106 10.973 2.314 5.974 1.00 0.00 N ATOM 1457 CA LYS A 106 10.975 1.109 5.121 1.00 0.00 C ATOM 1458 C LYS A 106 11.099 -0.206 5.920 1.00 0.00 C ATOM 1459 O LYS A 106 10.191 -1.027 5.865 1.00 0.00 O ATOM 1460 CB LYS A 106 12.113 1.298 4.109 1.00 0.00 C ATOM 1461 CG LYS A 106 11.915 0.488 2.817 1.00 0.00 C ATOM 1462 CD LYS A 106 12.359 -0.970 2.919 1.00 0.00 C ATOM 1463 CE LYS A 106 13.889 -1.077 2.887 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.261 -2.450 3.242 1.00 0.00 N ATOM 0 H LYS A 106 11.537 3.070 5.586 1.00 0.00 H new ATOM 0 HA LYS A 106 10.017 1.007 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.196 2.356 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.055 1.006 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.861 0.517 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.469 0.969 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.979 -1.407 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.933 -1.543 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.267 -0.825 1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.334 -0.370 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.250 -2.623 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.156 -2.584 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.641 -3.118 2.741 1.00 0.00 H new ATOM 1478 N SER A 107 12.024 -0.208 6.867 1.00 0.00 N ATOM 1479 CA SER A 107 12.297 -1.377 7.736 1.00 0.00 C ATOM 1480 C SER A 107 11.101 -1.854 8.566 1.00 0.00 C ATOM 1481 O SER A 107 10.881 -3.054 8.693 1.00 0.00 O ATOM 1482 CB SER A 107 13.483 -1.077 8.654 1.00 0.00 C ATOM 1483 OG SER A 107 13.258 0.159 9.325 1.00 0.00 O ATOM 0 H SER A 107 12.617 0.597 7.067 1.00 0.00 H new ATOM 0 HA SER A 107 12.528 -2.199 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.608 -1.880 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.404 -1.026 8.073 1.00 0.00 H new ATOM 0 HG SER A 107 14.016 0.353 9.915 1.00 0.00 H new ATOM 1489 N THR A 108 10.315 -0.913 9.105 1.00 0.00 N ATOM 1490 CA THR A 108 9.064 -1.191 9.832 1.00 0.00 C ATOM 1491 C THR A 108 8.000 -1.902 8.986 1.00 0.00 C ATOM 1492 O THR A 108 7.385 -2.863 9.435 1.00 0.00 O ATOM 1493 CB THR A 108 8.536 0.147 10.382 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.550 0.726 11.199 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.208 0.038 11.147 1.00 0.00 C ATOM 0 H THR A 108 10.532 0.082 9.048 1.00 0.00 H new ATOM 0 HA THR A 108 9.284 -1.889 10.640 1.00 0.00 H new ATOM 0 HB THR A 108 8.309 0.785 9.528 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.233 1.581 11.558 1.00 0.00 H new ATOM 0 HG21 THR A 108 6.909 1.025 11.499 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.438 -0.360 10.485 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.333 -0.629 12.000 1.00 0.00 H new ATOM 1503 N LEU A 109 7.857 -1.436 7.757 1.00 0.00 N ATOM 1504 CA LEU A 109 6.976 -2.053 6.745 1.00 0.00 C ATOM 1505 C LEU A 109 7.430 -3.478 6.435 1.00 0.00 C ATOM 1506 O LEU A 109 6.650 -4.413 6.560 1.00 0.00 O ATOM 1507 CB LEU A 109 6.968 -1.257 5.435 1.00 0.00 C ATOM 1508 CG LEU A 109 6.161 0.029 5.573 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.972 1.202 6.120 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.665 0.416 4.176 1.00 0.00 C ATOM 0 H LEU A 109 8.349 -0.610 7.417 1.00 0.00 H new ATOM 0 HA LEU A 109 5.971 -2.058 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.991 -1.017 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.547 -1.869 4.638 1.00 0.00 H new ATOM 0 HG LEU A 109 5.354 -0.165 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.334 2.083 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.355 0.950 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.806 1.411 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.082 1.335 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.519 0.572 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.041 -0.383 3.777 1.00 0.00 H new ATOM 1522 N THR A 110 8.742 -3.642 6.311 1.00 0.00 N ATOM 1523 CA THR A 110 9.369 -4.953 6.042 1.00 0.00 C ATOM 1524 C THR A 110 9.096 -5.943 7.187 1.00 0.00 C ATOM 1525 O THR A 110 8.574 -7.044 7.012 1.00 0.00 O ATOM 1526 CB THR A 110 10.867 -4.802 5.780 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.091 -3.841 4.748 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.415 -6.160 5.341 1.00 0.00 C ATOM 0 H THR A 110 9.411 -2.876 6.392 1.00 0.00 H new ATOM 0 HA THR A 110 8.916 -5.362 5.139 1.00 0.00 H new ATOM 0 HB THR A 110 11.369 -4.463 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.911 -2.942 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.484 -6.076 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.245 -6.893 6.130 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.907 -6.481 4.432 1.00 0.00 H new ATOM 1536 N ASP A 111 9.406 -5.447 8.375 1.00 0.00 N ATOM 1537 CA ASP A 111 9.154 -6.105 9.670 1.00 0.00 C ATOM 1538 C ASP A 111 7.692 -6.602 9.732 1.00 0.00 C ATOM 1539 O ASP A 111 7.449 -7.812 9.794 1.00 0.00 O ATOM 1540 CB ASP A 111 9.442 -5.003 10.688 1.00 0.00 C ATOM 1541 CG ASP A 111 9.378 -5.447 12.150 1.00 0.00 C ATOM 1542 OD1 ASP A 111 8.527 -4.864 12.854 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.144 -6.367 12.518 1.00 0.00 O ATOM 0 H ASP A 111 9.859 -4.539 8.479 1.00 0.00 H new ATOM 0 HA ASP A 111 9.767 -6.989 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.433 -4.595 10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.728 -4.193 10.537 1.00 0.00 H new ATOM 1549 N SER A 112 6.804 -5.690 9.334 1.00 0.00 N ATOM 1550 CA SER A 112 5.353 -5.900 9.300 1.00 0.00 C ATOM 1551 C SER A 112 4.826 -7.040 8.440 1.00 0.00 C ATOM 1552 O SER A 112 3.729 -7.489 8.728 1.00 0.00 O ATOM 1553 CB SER A 112 4.634 -4.610 8.907 1.00 0.00 C ATOM 1554 OG SER A 112 3.317 -4.709 9.420 1.00 0.00 O ATOM 0 H SER A 112 7.080 -4.760 9.018 1.00 0.00 H new ATOM 0 HA SER A 112 5.132 -6.205 10.323 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.146 -3.740 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.620 -4.489 7.824 1.00 0.00 H new ATOM 0 HG SER A 112 2.674 -4.482 8.716 1.00 0.00 H new ATOM 1560 N ILE A 113 5.541 -7.433 7.376 1.00 0.00 N ATOM 1561 CA ILE A 113 5.148 -8.642 6.632 1.00 0.00 C ATOM 1562 C ILE A 113 5.703 -9.910 7.284 1.00 0.00 C ATOM 1563 O ILE A 113 4.954 -10.767 7.755 1.00 0.00 O ATOM 1564 CB ILE A 113 5.532 -8.836 5.157 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.780 -8.105 4.677 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.299 -8.688 4.278 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.572 -6.610 4.524 1.00 0.00 C ATOM 0 H ILE A 113 6.367 -6.952 7.019 1.00 0.00 H new ATOM 0 HA ILE A 113 4.071 -8.478 6.667 1.00 0.00 H new ATOM 0 HB ILE A 113 5.884 -9.863 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.592 -8.283 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.093 -8.522 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.578 -8.827 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.560 -9.438 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.875 -7.693 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.497 -6.147 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.781 -6.425 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.288 -6.182 5.485 1.00 0.00 H new ATOM 1579 N GLU A 114 7.028 -9.867 7.416 1.00 0.00 N ATOM 1580 CA GLU A 114 7.884 -10.996 7.803 1.00 0.00 C ATOM 1581 C GLU A 114 7.569 -11.569 9.204 1.00 0.00 C ATOM 1582 O GLU A 114 8.114 -12.586 9.618 1.00 0.00 O ATOM 1583 CB GLU A 114 9.358 -10.601 7.691 1.00 0.00 C ATOM 1584 CG GLU A 114 9.626 -10.187 6.240 1.00 0.00 C ATOM 1585 CD GLU A 114 11.136 -9.999 6.057 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.728 -10.808 5.310 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.651 -9.019 6.635 1.00 0.00 O ATOM 0 H GLU A 114 7.559 -9.012 7.250 1.00 0.00 H new ATOM 0 HA GLU A 114 7.667 -11.803 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.585 -9.779 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.999 -11.436 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.254 -10.948 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.098 -9.262 6.007 1.00 0.00 H new ATOM 1595 N LYS A 115 6.903 -10.730 9.962 1.00 0.00 N ATOM 1596 CA LYS A 115 6.228 -11.020 11.230 1.00 0.00 C ATOM 1597 C LYS A 115 5.306 -12.257 11.146 1.00 0.00 C ATOM 1598 O LYS A 115 5.381 -13.163 11.969 1.00 0.00 O ATOM 1599 CB LYS A 115 5.452 -9.724 11.440 1.00 0.00 C ATOM 1600 CG LYS A 115 4.861 -9.610 12.839 1.00 0.00 C ATOM 1601 CD LYS A 115 4.142 -8.270 13.018 1.00 0.00 C ATOM 1602 CE LYS A 115 5.067 -7.038 12.978 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.946 -7.000 14.160 1.00 0.00 N ATOM 0 H LYS A 115 6.805 -9.749 9.699 1.00 0.00 H new ATOM 0 HA LYS A 115 6.902 -11.278 12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.113 -8.877 11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.649 -9.664 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.162 -10.429 13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.653 -9.705 13.582 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.389 -8.169 12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.613 -8.280 13.971 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.671 -7.062 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.467 -6.129 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.511 -6.127 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.367 -7.023 15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.581 -7.824 14.147 1.00 0.00 H new ATOM 1617 N TYR A 116 4.387 -12.190 10.182 1.00 0.00 N ATOM 1618 CA TYR A 116 3.401 -13.251 9.898 1.00 0.00 C ATOM 1619 C TYR A 116 3.760 -14.114 8.671 1.00 0.00 C ATOM 1620 O TYR A 116 3.638 -15.332 8.688 1.00 0.00 O ATOM 1621 CB TYR A 116 1.994 -12.624 9.757 1.00 0.00 C ATOM 1622 CG TYR A 116 1.848 -11.577 8.648 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.521 -12.021 7.348 1.00 0.00 C ATOM 1624 CD2 TYR A 116 1.936 -10.204 8.966 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.320 -11.079 6.323 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.700 -9.268 7.949 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.436 -9.713 6.638 1.00 0.00 C ATOM 1628 OH TYR A 116 1.313 -8.817 5.628 1.00 0.00 O ATOM 0 H TYR A 116 4.300 -11.385 9.562 1.00 0.00 H new ATOM 0 HA TYR A 116 3.412 -13.939 10.744 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.275 -13.423 9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 116 1.724 -12.162 10.707 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.426 -13.077 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.179 -9.883 9.968 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.082 -11.397 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 116 1.720 -8.211 8.169 1.00 0.00 H new ATOM 0 HH TYR A 116 0.394 -8.832 5.287 1.00 0.00 H new ATOM 1638 N LEU A 117 4.225 -13.440 7.620 1.00 0.00 N ATOM 1639 CA LEU A 117 4.666 -14.039 6.352 1.00 0.00 C ATOM 1640 C LEU A 117 6.147 -14.386 6.522 1.00 0.00 C ATOM 1641 O LEU A 117 7.091 -13.713 6.106 1.00 0.00 O ATOM 1642 CB LEU A 117 4.400 -12.991 5.272 1.00 0.00 C ATOM 1643 CG LEU A 117 4.783 -13.400 3.843 1.00 0.00 C ATOM 1644 CD1 LEU A 117 4.103 -14.688 3.381 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.403 -12.234 2.930 1.00 0.00 C ATOM 0 H LEU A 117 4.310 -12.424 7.624 1.00 0.00 H new ATOM 0 HA LEU A 117 4.145 -14.954 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.339 -12.741 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.946 -12.083 5.530 1.00 0.00 H new ATOM 0 HG LEU A 117 5.852 -13.611 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.417 -14.920 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.385 -15.506 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.021 -14.558 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.658 -12.481 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.332 -12.048 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.948 -11.341 3.235 1.00 0.00 H new TER 1657 LEU A 117